[{"quality_controlled":"1","publisher":"American Physical Society","oa":1,"acknowledgement":"H. S. acknowledges support from the European Research Council-AdG (Project No. 320459, DropletControl)\r\nand from The Villum Foundation through a Villum Investigator Grant No. 25886. M. L. acknowledges support\r\nby the Austrian Science Fund (FWF), under Project No. P29902-N27, and by the European Research Council\r\n(ERC) Starting Grant No. 801770 (ANGULON). G. B. acknowledges support from the Austrian Science Fund\r\n(FWF), under Project No. M2641-N27. I. C. acknowledges support by the European Union’s Horizon 2020 research and\r\ninnovation programme under the Marie Skłodowska-Curie Grant Agreement No. 665385. Computational resources for\r\nthe PIMC simulations were provided by the division for scientific computing at the Johannes Kepler University.","date_published":"2020-07-03T00:00:00Z","doi":"10.1103/PhysRevLett.125.013001","date_created":"2020-07-26T22:01:02Z","day":"03","publication":"Physical Review Letters","isi":1,"year":"2020","project":[{"call_identifier":"FWF","_id":"26031614-B435-11E9-9278-68D0E5697425","name":"Quantum rotations in the presence of a many-body environment","grant_number":"P29902"},{"call_identifier":"H2020","_id":"2688CF98-B435-11E9-9278-68D0E5697425","grant_number":"801770","name":"Angulon: physics and applications of a new quasiparticle"},{"call_identifier":"FWF","_id":"26986C82-B435-11E9-9278-68D0E5697425","name":"A path-integral approach to composite impurities","grant_number":"M02641"},{"name":"International IST Doctoral Program","grant_number":"665385","call_identifier":"H2020","_id":"2564DBCA-B435-11E9-9278-68D0E5697425"}],"article_number":"013001","title":"Rotational coherence spectroscopy of molecules in Helium nanodroplets: Reconciling the time and the frequency domains","author":[{"last_name":"Chatterley","full_name":"Chatterley, Adam S.","first_name":"Adam S."},{"full_name":"Christiansen, Lars","last_name":"Christiansen","first_name":"Lars"},{"first_name":"Constant A.","last_name":"Schouder","full_name":"Schouder, Constant A."},{"first_name":"Anders V.","full_name":"Jørgensen, Anders V.","last_name":"Jørgensen"},{"last_name":"Shepperson","full_name":"Shepperson, Benjamin","first_name":"Benjamin"},{"full_name":"Cherepanov, Igor","last_name":"Cherepanov","first_name":"Igor","id":"339C7E5A-F248-11E8-B48F-1D18A9856A87"},{"first_name":"Giacomo","id":"4CA96FD4-F248-11E8-B48F-1D18A9856A87","full_name":"Bighin, Giacomo","orcid":"0000-0001-8823-9777","last_name":"Bighin"},{"first_name":"Robert E.","last_name":"Zillich","full_name":"Zillich, Robert E."},{"first_name":"Mikhail","id":"37CB05FA-F248-11E8-B48F-1D18A9856A87","last_name":"Lemeshko","orcid":"0000-0002-6990-7802","full_name":"Lemeshko, Mikhail"},{"first_name":"Henrik","last_name":"Stapelfeldt","full_name":"Stapelfeldt, Henrik"}],"external_id":{"arxiv":["2006.02694"],"isi":["000544526900006"]},"article_processing_charge":"No","user_id":"4359f0d1-fa6c-11eb-b949-802e58b17ae8","citation":{"short":"A.S. Chatterley, L. Christiansen, C.A. Schouder, A.V. Jørgensen, B. Shepperson, I. Cherepanov, G. Bighin, R.E. Zillich, M. Lemeshko, H. Stapelfeldt, Physical Review Letters 125 (2020).","ieee":"A. S. Chatterley et al., “Rotational coherence spectroscopy of molecules in Helium nanodroplets: Reconciling the time and the frequency domains,” Physical Review Letters, vol. 125, no. 1. American Physical Society, 2020.","apa":"Chatterley, A. S., Christiansen, L., Schouder, C. A., Jørgensen, A. V., Shepperson, B., Cherepanov, I., … Stapelfeldt, H. (2020). Rotational coherence spectroscopy of molecules in Helium nanodroplets: Reconciling the time and the frequency domains. Physical Review Letters. American Physical Society. https://doi.org/10.1103/PhysRevLett.125.013001","ama":"Chatterley AS, Christiansen L, Schouder CA, et al. Rotational coherence spectroscopy of molecules in Helium nanodroplets: Reconciling the time and the frequency domains. Physical Review Letters. 2020;125(1). doi:10.1103/PhysRevLett.125.013001","mla":"Chatterley, Adam S., et al. “Rotational Coherence Spectroscopy of Molecules in Helium Nanodroplets: Reconciling the Time and the Frequency Domains.” Physical Review Letters, vol. 125, no. 1, 013001, American Physical Society, 2020, doi:10.1103/PhysRevLett.125.013001.","ista":"Chatterley AS, Christiansen L, Schouder CA, Jørgensen AV, Shepperson B, Cherepanov I, Bighin G, Zillich RE, Lemeshko M, Stapelfeldt H. 2020. Rotational coherence spectroscopy of molecules in Helium nanodroplets: Reconciling the time and the frequency domains. Physical Review Letters. 125(1), 013001.","chicago":"Chatterley, Adam S., Lars Christiansen, Constant A. Schouder, Anders V. Jørgensen, Benjamin Shepperson, Igor Cherepanov, Giacomo Bighin, Robert E. Zillich, Mikhail Lemeshko, and Henrik Stapelfeldt. “Rotational Coherence Spectroscopy of Molecules in Helium Nanodroplets: Reconciling the Time and the Frequency Domains.” Physical Review Letters. American Physical Society, 2020. https://doi.org/10.1103/PhysRevLett.125.013001."},"month":"07","intvolume":" 125","scopus_import":"1","main_file_link":[{"open_access":"1","url":"https://arxiv.org/abs/2006.02694"}],"oa_version":"Preprint","abstract":[{"text":"Alignment of OCS, CS2, and I2 molecules embedded in helium nanodroplets is measured as a function\r\nof time following rotational excitation by a nonresonant, comparatively weak ps laser pulse. The distinct\r\npeaks in the power spectra, obtained by Fourier analysis, are used to determine the rotational, B, and\r\ncentrifugal distortion, D, constants. For OCS, B and D match the values known from IR spectroscopy. For\r\nCS2 and I2, they are the first experimental results reported. The alignment dynamics calculated from the\r\ngas-phase rotational Schrödinger equation, using the experimental in-droplet B and D values, agree in\r\ndetail with the measurement for all three molecules. The rotational spectroscopy technique for molecules in\r\nhelium droplets introduced here should apply to a range of molecules and complexes.","lang":"eng"}],"issue":"1","volume":125,"ec_funded":1,"language":[{"iso":"eng"}],"publication_identifier":{"eissn":["10797114"],"issn":["00319007"]},"publication_status":"published","status":"public","article_type":"original","type":"journal_article","_id":"8170","department":[{"_id":"MiLe"}],"date_updated":"2023-08-22T08:22:43Z"},{"date_updated":"2023-08-22T09:58:46Z","ddc":["530"],"department":[{"_id":"MiLe"}],"file_date_updated":"2020-10-14T15:16:28Z","_id":"8652","tmp":{"legal_code_url":"https://creativecommons.org/licenses/by/4.0/legalcode","image":"/images/cc_by.png","name":"Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)","short":"CC BY (4.0)"},"article_type":"original","type":"journal_article","status":"public","publication_status":"published","publication_identifier":{"issn":["2399-3650"]},"language":[{"iso":"eng"}],"file":[{"date_created":"2020-10-14T15:16:28Z","file_name":"2020_CommPhysics_Ghazaryan.pdf","creator":"dernst","date_updated":"2020-10-14T15:16:28Z","file_size":1462934,"file_id":"8662","checksum":"60cd35b99f0780acffc7b6060e49ec8b","success":1,"access_level":"open_access","relation":"main_file","content_type":"application/pdf"}],"ec_funded":1,"volume":3,"abstract":[{"lang":"eng","text":"Nature creates electrons with two values of the spin projection quantum number. In certain applications, it is important to filter electrons with one spin projection from the rest. Such filtering is not trivial, since spin-dependent interactions are often weak, and cannot lead to any substantial effect. Here we propose an efficient spin filter based upon scattering from a two-dimensional crystal, which is made of aligned point magnets. The polarization of the outgoing electron flux is controlled by the crystal, and reaches maximum at specific values of the parameters. In our scheme, polarization increase is accompanied by higher reflectivity of the crystal. High transmission is feasible in scattering from a quantum cavity made of two crystals. Our findings can be used for studies of low-energy spin-dependent scattering from two-dimensional ordered structures made of magnetic atoms or aligned chiral molecules."}],"oa_version":"Published Version","scopus_import":"1","intvolume":" 3","month":"10","citation":{"mla":"Ghazaryan, Areg, et al. “Filtering Spins by Scattering from a Lattice of Point Magnets.” Communications Physics, vol. 3, 178, Springer Nature, 2020, doi:10.1038/s42005-020-00445-8.","ieee":"A. Ghazaryan, M. Lemeshko, and A. Volosniev, “Filtering spins by scattering from a lattice of point magnets,” Communications Physics, vol. 3. Springer Nature, 2020.","short":"A. Ghazaryan, M. Lemeshko, A. Volosniev, Communications Physics 3 (2020).","ama":"Ghazaryan A, Lemeshko M, Volosniev A. Filtering spins by scattering from a lattice of point magnets. Communications Physics. 2020;3. doi:10.1038/s42005-020-00445-8","apa":"Ghazaryan, A., Lemeshko, M., & Volosniev, A. (2020). Filtering spins by scattering from a lattice of point magnets. Communications Physics. Springer Nature. https://doi.org/10.1038/s42005-020-00445-8","chicago":"Ghazaryan, Areg, Mikhail Lemeshko, and Artem Volosniev. “Filtering Spins by Scattering from a Lattice of Point Magnets.” Communications Physics. Springer Nature, 2020. https://doi.org/10.1038/s42005-020-00445-8.","ista":"Ghazaryan A, Lemeshko M, Volosniev A. 2020. Filtering spins by scattering from a lattice of point magnets. Communications Physics. 3, 178."},"user_id":"4359f0d1-fa6c-11eb-b949-802e58b17ae8","article_processing_charge":"Yes","external_id":{"isi":["000581681000001"]},"author":[{"first_name":"Areg","id":"4AF46FD6-F248-11E8-B48F-1D18A9856A87","last_name":"Ghazaryan","full_name":"Ghazaryan, Areg","orcid":"0000-0001-9666-3543"},{"last_name":"Lemeshko","full_name":"Lemeshko, Mikhail","orcid":"0000-0002-6990-7802","id":"37CB05FA-F248-11E8-B48F-1D18A9856A87","first_name":"Mikhail"},{"orcid":"0000-0003-0393-5525","full_name":"Volosniev, Artem","last_name":"Volosniev","first_name":"Artem","id":"37D278BC-F248-11E8-B48F-1D18A9856A87"}],"title":"Filtering spins by scattering from a lattice of point magnets","article_number":"178","project":[{"grant_number":"754411","name":"ISTplus - Postdoctoral Fellowships","call_identifier":"H2020","_id":"260C2330-B435-11E9-9278-68D0E5697425"},{"call_identifier":"FWF","_id":"26031614-B435-11E9-9278-68D0E5697425","name":"Quantum rotations in the presence of a many-body environment","grant_number":"P29902"},{"call_identifier":"H2020","_id":"2688CF98-B435-11E9-9278-68D0E5697425","grant_number":"801770","name":"Angulon: physics and applications of a new quasiparticle"}],"year":"2020","has_accepted_license":"1","isi":1,"publication":"Communications Physics","day":"09","date_created":"2020-10-13T09:48:59Z","date_published":"2020-10-09T00:00:00Z","doi":"10.1038/s42005-020-00445-8","acknowledgement":"This work has received funding from the European Union’s Horizon 2020 research and innovation program under the Marie Skłodowska-Curie Grant Agreement No. 754411 (A.G.V. and A.G.). M.L. acknowledges support by the Austrian Science Fund (FWF), under project No. P29902-N27, and by the European Research Council (ERC) Starting\r\nGrant No. 801770 (ANGULON).","oa":1,"publisher":"Springer Nature","quality_controlled":"1"},{"_id":"8699","status":"public","article_type":"original","type":"journal_article","tmp":{"short":"CC BY-NC-ND (4.0)","name":"Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International (CC BY-NC-ND 4.0)","legal_code_url":"https://creativecommons.org/licenses/by-nc-nd/4.0/legalcode","image":"/images/cc_by_nc_nd.png"},"ddc":["530"],"date_updated":"2023-08-22T12:11:52Z","department":[{"_id":"MiLe"}],"file_date_updated":"2020-10-28T11:53:12Z","pmid":1,"oa_version":"Published Version","abstract":[{"lang":"eng","text":"In the high spin–orbit-coupled Sr2IrO4, the high sensitivity of the ground state to the details of the local lattice structure shows a large potential for the manipulation of the functional properties by inducing local lattice distortions. We use epitaxial strain to modify the Ir–O bond geometry in Sr2IrO4 and perform momentum-dependent resonant inelastic X-ray scattering (RIXS) at the metal and at the ligand sites to unveil the response of the low-energy elementary excitations. We observe that the pseudospin-wave dispersion for tensile-strained Sr2IrO4 films displays large softening along the [h,0] direction, while along the [h,h] direction it shows hardening. This evolution reveals a renormalization of the magnetic interactions caused by a strain-driven cross-over from anisotropic to isotropic interactions between the magnetic moments. Moreover, we detect dispersive electron–hole pair excitations which shift to lower (higher) energies upon compressive (tensile) strain, manifesting a reduction (increase) in the size of the charge gap. This behavior shows an intimate coupling between charge excitations and lattice distortions in Sr2IrO4, originating from the modified hopping elements between the t2g orbitals. Our work highlights the central role played by the lattice degrees of freedom in determining both the pseudospin and charge excitations of Sr2IrO4 and provides valuable information toward the control of the ground state of complex oxides in the presence of high spin–orbit coupling."}],"month":"10","intvolume":" 117","scopus_import":"1","file":[{"content_type":"application/pdf","access_level":"open_access","relation":"main_file","file_id":"8715","checksum":"1638fa36b442e2868576c6dd7d6dc505","success":1,"date_updated":"2020-10-28T11:53:12Z","file_size":1176522,"creator":"cziletti","date_created":"2020-10-28T11:53:12Z","file_name":"2020_PNAS_Paris.pdf"}],"language":[{"iso":"eng"}],"publication_identifier":{"eissn":["10916490"],"issn":["00278424"]},"publication_status":"published","volume":117,"issue":"40","ec_funded":1,"project":[{"call_identifier":"H2020","_id":"260C2330-B435-11E9-9278-68D0E5697425","name":"ISTplus - Postdoctoral Fellowships","grant_number":"754411"}],"user_id":"4359f0d1-fa6c-11eb-b949-802e58b17ae8","citation":{"mla":"Paris, Eugenio, et al. “Strain Engineering of the Charge and Spin-Orbital Interactions in Sr2IrO4.” Proceedings of the National Academy of Sciences of the United States of America, vol. 117, no. 40, National Academy of Sciences, 2020, pp. 24764–70, doi:10.1073/pnas.2012043117.","apa":"Paris, E., Tseng, Y., Paerschke, E., Zhang, W., Upton, M. H., Efimenko, A., … Schmitt, T. (2020). Strain engineering of the charge and spin-orbital interactions in Sr2IrO4. Proceedings of the National Academy of Sciences of the United States of America. National Academy of Sciences. https://doi.org/10.1073/pnas.2012043117","ama":"Paris E, Tseng Y, Paerschke E, et al. Strain engineering of the charge and spin-orbital interactions in Sr2IrO4. Proceedings of the National Academy of Sciences of the United States of America. 2020;117(40):24764-24770. doi:10.1073/pnas.2012043117","short":"E. Paris, Y. Tseng, E. Paerschke, W. Zhang, M.H. Upton, A. Efimenko, K. Rolfs, D.E. McNally, L. Maurel, M. Naamneh, M. Caputo, V.N. Strocov, Z. Wang, D. Casa, C.W. Schneider, E. Pomjakushina, K. Wohlfeld, M. Radovic, T. Schmitt, Proceedings of the National Academy of Sciences of the United States of America 117 (2020) 24764–24770.","ieee":"E. Paris et al., “Strain engineering of the charge and spin-orbital interactions in Sr2IrO4,” Proceedings of the National Academy of Sciences of the United States of America, vol. 117, no. 40. National Academy of Sciences, pp. 24764–24770, 2020.","chicago":"Paris, Eugenio, Yi Tseng, Ekaterina Paerschke, Wenliang Zhang, Mary H Upton, Anna Efimenko, Katharina Rolfs, et al. “Strain Engineering of the Charge and Spin-Orbital Interactions in Sr2IrO4.” Proceedings of the National Academy of Sciences of the United States of America. National Academy of Sciences, 2020. https://doi.org/10.1073/pnas.2012043117.","ista":"Paris E, Tseng Y, Paerschke E, Zhang W, Upton MH, Efimenko A, Rolfs K, McNally DE, Maurel L, Naamneh M, Caputo M, Strocov VN, Wang Z, Casa D, Schneider CW, Pomjakushina E, Wohlfeld K, Radovic M, Schmitt T. 2020. Strain engineering of the charge and spin-orbital interactions in Sr2IrO4. Proceedings of the National Academy of Sciences of the United States of America. 117(40), 24764–24770."},"title":"Strain engineering of the charge and spin-orbital interactions in Sr2IrO4","author":[{"first_name":"Eugenio","last_name":"Paris","full_name":"Paris, Eugenio"},{"first_name":"Yi","full_name":"Tseng, Yi","last_name":"Tseng"},{"first_name":"Ekaterina","id":"8275014E-6063-11E9-9B7F-6338E6697425","last_name":"Paerschke","full_name":"Paerschke, Ekaterina","orcid":"0000-0003-0853-8182"},{"first_name":"Wenliang","last_name":"Zhang","full_name":"Zhang, Wenliang"},{"first_name":"Mary H","last_name":"Upton","full_name":"Upton, Mary H"},{"last_name":"Efimenko","full_name":"Efimenko, Anna","first_name":"Anna"},{"full_name":"Rolfs, Katharina","last_name":"Rolfs","first_name":"Katharina"},{"last_name":"McNally","full_name":"McNally, Daniel E","first_name":"Daniel E"},{"last_name":"Maurel","full_name":"Maurel, Laura","first_name":"Laura"},{"last_name":"Naamneh","full_name":"Naamneh, Muntaser","first_name":"Muntaser"},{"last_name":"Caputo","full_name":"Caputo, Marco","first_name":"Marco"},{"first_name":"Vladimir N","full_name":"Strocov, Vladimir N","last_name":"Strocov"},{"first_name":"Zhiming","full_name":"Wang, Zhiming","last_name":"Wang"},{"first_name":"Diego","full_name":"Casa, Diego","last_name":"Casa"},{"full_name":"Schneider, Christof W","last_name":"Schneider","first_name":"Christof W"},{"full_name":"Pomjakushina, Ekaterina","last_name":"Pomjakushina","first_name":"Ekaterina"},{"first_name":"Krzysztof","full_name":"Wohlfeld, Krzysztof","last_name":"Wohlfeld"},{"first_name":"Milan","full_name":"Radovic, Milan","last_name":"Radovic"},{"first_name":"Thorsten","last_name":"Schmitt","full_name":"Schmitt, Thorsten"}],"article_processing_charge":"No","external_id":{"pmid":["32958669"],"isi":["000579059100029"],"arxiv":["2009.12262"]},"acknowledgement":"We gratefully acknowledge C. Sahle for experimental support at the ID20 beamline of the ESRF. The soft X-ray experiments were carried out at the ADRESS beamline of the Swiss Light Source, Paul Scherrer Institut (PSI). E. Paris and T.S. thank X. Lu and C. Monney for valuable discussions. The work at PSI is supported by the Swiss National Science Foundation (SNSF) through Project 200021_178867, the NCCR (National Centre of Competence in Research) MARVEL (Materials’ Revolution: Computational Design and Discovery of Novel Materials) and the Sinergia network Mott Physics Beyond the Heisenberg Model (MPBH) (SNSF Research Grants CRSII2_160765/1 and CRSII2_141962). K.W. acknowledges support by the Narodowe Centrum Nauki Projects 2016/22/E/ST3/00560 and 2016/23/B/ST3/00839. E.M.P. and M.N. acknowledge funding from the European Union’s Horizon 2020 research and innovation programme under the Marie Sklodowska-Curie Grant Agreements 754411 and 701647, respectively. M.R. was supported by the Swiss National Science Foundation under Project 200021 – 182695. This research used resources of the APS, a U.S. Department of Energy (DOE) Office of Science User Facility operated for the DOE Office of Science by Argonne National Laboratory under Contract DE-AC02-06CH11357.","publisher":"National Academy of Sciences","quality_controlled":"1","oa":1,"day":"06","publication":"Proceedings of the National Academy of Sciences of the United States of America","has_accepted_license":"1","isi":1,"year":"2020","date_published":"2020-10-06T00:00:00Z","doi":"10.1073/pnas.2012043117","date_created":"2020-10-25T23:01:17Z","page":"24764-24770"},{"user_id":"c635000d-4b10-11ee-a964-aac5a93f6ac1","citation":{"ieee":"A. Ghazaryan, Y. Paltiel, and M. Lemeshko, “Analytic model of chiral-induced spin selectivity,” The Journal of Physical Chemistry C, vol. 124, no. 21. American Chemical Society, pp. 11716–11721, 2020.","short":"A. Ghazaryan, Y. Paltiel, M. Lemeshko, The Journal of Physical Chemistry C 124 (2020) 11716–11721.","ama":"Ghazaryan A, Paltiel Y, Lemeshko M. Analytic model of chiral-induced spin selectivity. The Journal of Physical Chemistry C. 2020;124(21):11716-11721. doi:10.1021/acs.jpcc.0c02584","apa":"Ghazaryan, A., Paltiel, Y., & Lemeshko, M. (2020). Analytic model of chiral-induced spin selectivity. The Journal of Physical Chemistry C. American Chemical Society. https://doi.org/10.1021/acs.jpcc.0c02584","mla":"Ghazaryan, Areg, et al. “Analytic Model of Chiral-Induced Spin Selectivity.” The Journal of Physical Chemistry C, vol. 124, no. 21, American Chemical Society, 2020, pp. 11716–21, doi:10.1021/acs.jpcc.0c02584.","ista":"Ghazaryan A, Paltiel Y, Lemeshko M. 2020. Analytic model of chiral-induced spin selectivity. The Journal of Physical Chemistry C. 124(21), 11716–11721.","chicago":"Ghazaryan, Areg, Yossi Paltiel, and Mikhail Lemeshko. “Analytic Model of Chiral-Induced Spin Selectivity.” The Journal of Physical Chemistry C. American Chemical Society, 2020. https://doi.org/10.1021/acs.jpcc.0c02584."},"title":"Analytic model of chiral-induced spin selectivity","article_processing_charge":"Yes (via OA deal)","external_id":{"isi":["000614616200006"]},"author":[{"orcid":"0000-0001-9666-3543","full_name":"Ghazaryan, Areg","last_name":"Ghazaryan","first_name":"Areg","id":"4AF46FD6-F248-11E8-B48F-1D18A9856A87"},{"last_name":"Paltiel","full_name":"Paltiel, Yossi","first_name":"Yossi"},{"full_name":"Lemeshko, Mikhail","orcid":"0000-0002-6990-7802","last_name":"Lemeshko","id":"37CB05FA-F248-11E8-B48F-1D18A9856A87","first_name":"Mikhail"}],"project":[{"call_identifier":"H2020","_id":"260C2330-B435-11E9-9278-68D0E5697425","name":"ISTplus - Postdoctoral Fellowships","grant_number":"754411"},{"call_identifier":"FWF","_id":"26031614-B435-11E9-9278-68D0E5697425","grant_number":"P29902","name":"Quantum rotations in the presence of a many-body environment"},{"_id":"2688CF98-B435-11E9-9278-68D0E5697425","call_identifier":"H2020","grant_number":"801770","name":"Angulon: physics and applications of a new quasiparticle"}],"publication":"The Journal of Physical Chemistry C","day":"04","year":"2020","isi":1,"has_accepted_license":"1","date_created":"2020-06-16T14:29:59Z","doi":"10.1021/acs.jpcc.0c02584","date_published":"2020-05-04T00:00:00Z","page":"11716-11721","oa":1,"quality_controlled":"1","publisher":"American Chemical Society","ddc":["530"],"date_updated":"2023-09-05T12:07:15Z","file_date_updated":"2020-10-20T14:39:47Z","department":[{"_id":"MiLe"}],"_id":"7968","status":"public","tmp":{"legal_code_url":"https://creativecommons.org/licenses/by/4.0/legalcode","image":"/images/cc_by.png","name":"Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)","short":"CC BY (4.0)"},"type":"journal_article","article_type":"original","language":[{"iso":"eng"}],"file":[{"relation":"main_file","access_level":"open_access","content_type":"application/pdf","success":1,"file_id":"8683","checksum":"25932bb1d0b0a955be0bea4d17facd49","creator":"kschuh","file_size":1543429,"date_updated":"2020-10-20T14:39:47Z","file_name":"2020_PhysChemC_Ghazaryan.pdf","date_created":"2020-10-20T14:39:47Z"}],"publication_status":"published","publication_identifier":{"eissn":["1932-7455"],"issn":["1932-7447"]},"ec_funded":1,"issue":"21","volume":124,"oa_version":"Published Version","abstract":[{"text":"Organic materials are known to feature long spin-diffusion times, originating in a generally small spin–orbit coupling observed in these systems. From that perspective, chiral molecules acting as efficient spin selectors pose a puzzle that attracted a lot of attention in recent years. Here, we revisit the physical origins of chiral-induced spin selectivity (CISS) and propose a simple analytic minimal model to describe it. The model treats a chiral molecule as an anisotropic wire with molecular dipole moments aligned arbitrarily with respect to the wire’s axes and is therefore quite general. Importantly, it shows that the helical structure of the molecule is not necessary to observe CISS and other chiral nonhelical molecules can also be considered as potential candidates for the CISS effect. We also show that the suggested simple model captures the main characteristics of CISS observed in the experiment, without the need for additional constraints employed in the previous studies. The results pave the way for understanding other related physical phenomena where the CISS effect plays an essential role.","lang":"eng"}],"intvolume":" 124","month":"05","scopus_import":"1"},{"article_type":"original","type":"journal_article","status":"public","_id":"8588","department":[{"_id":"MiLe"}],"date_updated":"2023-09-05T12:12:10Z","scopus_import":"1","main_file_link":[{"open_access":"1","url":"https://arxiv.org/abs/1910.06015"}],"month":"07","intvolume":" 102","abstract":[{"lang":"eng","text":"Dipolar (or spatially indirect) excitons (IXs) in semiconductor double quantum well (DQW) subjected to an electric field are neutral species with a dipole moment oriented perpendicular to the DQW plane. Here, we theoretically study interactions between IXs in stacked DQW bilayers, where the dipolar coupling can be either attractive or repulsive depending on the relative positions of the particles. By using microscopic band structure calculations to determine the electronic states forming the excitons, we show that the attractive dipolar interaction between stacked IXs deforms their electronic wave function, thereby increasing the inter-DQW interaction energy and making the IX even more electrically polarizable. Many-particle interaction effects are addressed by considering the coupling between a single IX in one of the DQWs to a cloud of IXs in the other DQW, which is modeled either as a closed-packed lattice or as a continuum IX fluid. We find that the lattice model yields IX interlayer binding energies decreasing with increasing lattice density. This behavior is due to the dominating role of the intra-DQW dipolar repulsion, which prevents more than one exciton from entering the attractive region of the inter-DQW coupling. Finally, both models shows that the single IX distorts the distribution of IXs in the adjacent DQW, thus inducing the formation of an IX dipolar polaron (dipolaron). While the interlayer binding energy reduces with IX density for lattice dipolarons, the continuous polaron model predicts a nonmonotonous dependence on density in semiquantitative agreement with a recent experimental study [cf. Hubert et al., Phys. Rev. X 9, 021026 (2019)]."}],"oa_version":"Preprint","volume":102,"issue":"4","ec_funded":1,"publication_identifier":{"issn":["2469-9950"],"eissn":["2469-9969"]},"publication_status":"published","language":[{"iso":"eng"}],"project":[{"grant_number":"P29902","name":"Quantum rotations in the presence of a many-body environment","_id":"26031614-B435-11E9-9278-68D0E5697425","call_identifier":"FWF"},{"_id":"2688CF98-B435-11E9-9278-68D0E5697425","call_identifier":"H2020","name":"Angulon: physics and applications of a new quasiparticle","grant_number":"801770"},{"call_identifier":"H2020","_id":"260C2330-B435-11E9-9278-68D0E5697425","name":"ISTplus - Postdoctoral Fellowships","grant_number":"754411"}],"article_number":"045307","author":[{"first_name":"C.","full_name":"Hubert, C.","last_name":"Hubert"},{"last_name":"Cohen","full_name":"Cohen, K.","first_name":"K."},{"orcid":"0000-0001-9666-3543","full_name":"Ghazaryan, Areg","last_name":"Ghazaryan","first_name":"Areg","id":"4AF46FD6-F248-11E8-B48F-1D18A9856A87"},{"orcid":"0000-0002-6990-7802","full_name":"Lemeshko, Mikhail","last_name":"Lemeshko","first_name":"Mikhail","id":"37CB05FA-F248-11E8-B48F-1D18A9856A87"},{"last_name":"Rapaport","full_name":"Rapaport, R.","first_name":"R."},{"full_name":"Santos, P. V.","last_name":"Santos","first_name":"P. V."}],"article_processing_charge":"No","external_id":{"isi":["000550579100004"],"arxiv":["1910.06015"]},"title":"Attractive interactions, molecular complexes, and polarons in coupled dipolar exciton fluids","citation":{"chicago":"Hubert, C., K. Cohen, Areg Ghazaryan, Mikhail Lemeshko, R. Rapaport, and P. V. Santos. “Attractive Interactions, Molecular Complexes, and Polarons in Coupled Dipolar Exciton Fluids.” Physical Review B. American Physical Society, 2020. https://doi.org/10.1103/physrevb.102.045307.","ista":"Hubert C, Cohen K, Ghazaryan A, Lemeshko M, Rapaport R, Santos PV. 2020. Attractive interactions, molecular complexes, and polarons in coupled dipolar exciton fluids. Physical Review B. 102(4), 045307.","mla":"Hubert, C., et al. “Attractive Interactions, Molecular Complexes, and Polarons in Coupled Dipolar Exciton Fluids.” Physical Review B, vol. 102, no. 4, 045307, American Physical Society, 2020, doi:10.1103/physrevb.102.045307.","short":"C. Hubert, K. Cohen, A. Ghazaryan, M. Lemeshko, R. Rapaport, P.V. Santos, Physical Review B 102 (2020).","ieee":"C. Hubert, K. Cohen, A. Ghazaryan, M. Lemeshko, R. Rapaport, and P. V. Santos, “Attractive interactions, molecular complexes, and polarons in coupled dipolar exciton fluids,” Physical Review B, vol. 102, no. 4. American Physical Society, 2020.","apa":"Hubert, C., Cohen, K., Ghazaryan, A., Lemeshko, M., Rapaport, R., & Santos, P. V. (2020). Attractive interactions, molecular complexes, and polarons in coupled dipolar exciton fluids. Physical Review B. American Physical Society. https://doi.org/10.1103/physrevb.102.045307","ama":"Hubert C, Cohen K, Ghazaryan A, Lemeshko M, Rapaport R, Santos PV. Attractive interactions, molecular complexes, and polarons in coupled dipolar exciton fluids. Physical Review B. 2020;102(4). doi:10.1103/physrevb.102.045307"},"user_id":"c635000d-4b10-11ee-a964-aac5a93f6ac1","publisher":"American Physical Society","quality_controlled":"1","oa":1,"acknowledgement":"We thank W. Kaganer for discussions and for comment on the manuscript. We acknowledge the financial support from the German-Israeli Foundation (GIF), grant agreement I-1277-303.10/2014. M.L. acknowledges support by the Austrian Science Fund (FWF), under project No. P29902-N27, and by the European Research Council (ERC) Starting Grant No. 801770 (ANGULON). A.G. acknowledges support by the European Unions Horizon 2020 research and innovation\r\nprogram under the Marie Skodowska-Curie grant agreement No 754411. P.V.S acknowledges financial support\r\nfrom the Deutsche Forschungsgemeinschaft (DFG) under\r\nProject No. SA 598/12-1.","date_published":"2020-07-21T00:00:00Z","doi":"10.1103/physrevb.102.045307","date_created":"2020-09-30T10:33:43Z","isi":1,"year":"2020","day":"21","publication":"Physical Review B"},{"department":[{"_id":"MiLe"},{"_id":"RoSe"}],"date_updated":"2023-09-05T12:12:30Z","article_type":"original","type":"journal_article","status":"public","_id":"8769","issue":"14","volume":102,"ec_funded":1,"publication_identifier":{"issn":["2469-9950"],"eissn":["2469-9969"]},"publication_status":"published","language":[{"iso":"eng"}],"scopus_import":"1","main_file_link":[{"url":"https://arxiv.org/abs/1912.07890","open_access":"1"}],"month":"10","intvolume":" 102","abstract":[{"lang":"eng","text":"One of the hallmarks of quantum statistics, tightly entwined with the concept of topological phases of matter, is the prediction of anyons. Although anyons are predicted to be realized in certain fractional quantum Hall systems, they have not yet been unambiguously detected in experiment. Here we introduce a simple quantum impurity model, where bosonic or fermionic impurities turn into anyons as a consequence of their interaction with the surrounding many-particle bath. A cloud of phonons dresses each impurity in such a way that it effectively attaches fluxes or vortices to it and thereby converts it into an Abelian anyon. The corresponding quantum impurity model, first, provides a different approach to the numerical solution of the many-anyon problem, along with a concrete perspective of anyons as emergent quasiparticles built from composite bosons or fermions. More importantly, the model paves the way toward realizing anyons using impurities in crystal lattices as well as ultracold gases. In particular, we consider two heavy electrons interacting with a two-dimensional lattice crystal in a magnetic field, and show that when the impurity-bath system is rotated at the cyclotron frequency, impurities behave as anyons as a consequence of the angular momentum exchange between the impurities and the bath. A possible experimental realization is proposed by identifying the statistics parameter in terms of the mean-square distance of the impurities and the magnetization of the impurity-bath system, both of which are accessible to experiment. Another proposed application is impurities immersed in a two-dimensional weakly interacting Bose gas."}],"oa_version":"Preprint","author":[{"last_name":"Yakaboylu","full_name":"Yakaboylu, Enderalp","orcid":"0000-0001-5973-0874","id":"38CB71F6-F248-11E8-B48F-1D18A9856A87","first_name":"Enderalp"},{"last_name":"Ghazaryan","full_name":"Ghazaryan, Areg","orcid":"0000-0001-9666-3543","first_name":"Areg","id":"4AF46FD6-F248-11E8-B48F-1D18A9856A87"},{"last_name":"Lundholm","full_name":"Lundholm, D.","first_name":"D."},{"first_name":"N.","last_name":"Rougerie","full_name":"Rougerie, N."},{"id":"37CB05FA-F248-11E8-B48F-1D18A9856A87","first_name":"Mikhail","last_name":"Lemeshko","orcid":"0000-0002-6990-7802","full_name":"Lemeshko, Mikhail"},{"full_name":"Seiringer, Robert","orcid":"0000-0002-6781-0521","last_name":"Seiringer","first_name":"Robert","id":"4AFD0470-F248-11E8-B48F-1D18A9856A87"}],"external_id":{"arxiv":["1912.07890"],"isi":["000582563300001"]},"article_processing_charge":"No","title":"Quantum impurity model for anyons","citation":{"mla":"Yakaboylu, Enderalp, et al. “Quantum Impurity Model for Anyons.” Physical Review B, vol. 102, no. 14, 144109, American Physical Society, 2020, doi:10.1103/physrevb.102.144109.","ieee":"E. Yakaboylu, A. Ghazaryan, D. Lundholm, N. Rougerie, M. Lemeshko, and R. Seiringer, “Quantum impurity model for anyons,” Physical Review B, vol. 102, no. 14. American Physical Society, 2020.","short":"E. Yakaboylu, A. Ghazaryan, D. Lundholm, N. Rougerie, M. Lemeshko, R. Seiringer, Physical Review B 102 (2020).","ama":"Yakaboylu E, Ghazaryan A, Lundholm D, Rougerie N, Lemeshko M, Seiringer R. Quantum impurity model for anyons. Physical Review B. 2020;102(14). doi:10.1103/physrevb.102.144109","apa":"Yakaboylu, E., Ghazaryan, A., Lundholm, D., Rougerie, N., Lemeshko, M., & Seiringer, R. (2020). Quantum impurity model for anyons. Physical Review B. American Physical Society. https://doi.org/10.1103/physrevb.102.144109","chicago":"Yakaboylu, Enderalp, Areg Ghazaryan, D. Lundholm, N. Rougerie, Mikhail Lemeshko, and Robert Seiringer. “Quantum Impurity Model for Anyons.” Physical Review B. American Physical Society, 2020. https://doi.org/10.1103/physrevb.102.144109.","ista":"Yakaboylu E, Ghazaryan A, Lundholm D, Rougerie N, Lemeshko M, Seiringer R. 2020. Quantum impurity model for anyons. Physical Review B. 102(14), 144109."},"user_id":"c635000d-4b10-11ee-a964-aac5a93f6ac1","project":[{"call_identifier":"H2020","_id":"260C2330-B435-11E9-9278-68D0E5697425","grant_number":"754411","name":"ISTplus - Postdoctoral Fellowships"},{"name":"Analysis of quantum many-body systems","grant_number":"694227","_id":"25C6DC12-B435-11E9-9278-68D0E5697425","call_identifier":"H2020"},{"_id":"2688CF98-B435-11E9-9278-68D0E5697425","call_identifier":"H2020","grant_number":"801770","name":"Angulon: physics and applications of a new quasiparticle"}],"article_number":"144109","doi":"10.1103/physrevb.102.144109","date_published":"2020-10-01T00:00:00Z","date_created":"2020-11-18T07:34:17Z","isi":1,"year":"2020","day":"01","publication":"Physical Review B","publisher":"American Physical Society","quality_controlled":"1","oa":1,"acknowledgement":"We are grateful to M. Correggi, A. Deuchert, and P. Schmelcher for valuable discussions. We also thank the anonymous referees for helping to clarify a few important points in the experimental realization. A.G. acknowledges support by the European Unions Horizon 2020 research and innovation program under the Marie Skłodowska-Curie grant agreement\r\nNo 754411. D.L. acknowledges financial support from the Goran Gustafsson Foundation (grant no. 1804) and LMU Munich. R.S., M.L., and N.R. gratefully acknowledge financial support by the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation programme (grant agreements No 694227, No 801770, and No 758620, respectively)."},{"article_number":"164302","project":[{"grant_number":"P29902","name":"Quantum rotations in the presence of a many-body environment","_id":"26031614-B435-11E9-9278-68D0E5697425","call_identifier":"FWF"},{"call_identifier":"H2020","_id":"2688CF98-B435-11E9-9278-68D0E5697425","name":"Angulon: physics and applications of a new quasiparticle","grant_number":"801770"},{"grant_number":"M02641","name":"A path-integral approach to composite impurities","call_identifier":"FWF","_id":"26986C82-B435-11E9-9278-68D0E5697425"},{"_id":"25C6DC12-B435-11E9-9278-68D0E5697425","call_identifier":"H2020","grant_number":"694227","name":"Analysis of quantum many-body systems"}],"user_id":"c635000d-4b10-11ee-a964-aac5a93f6ac1","citation":{"mla":"Li, Xiang, et al. “Intermolecular Forces and Correlations Mediated by a Phonon Bath.” The Journal of Chemical Physics, vol. 152, no. 16, 164302, AIP Publishing, 2020, doi:10.1063/1.5144759.","short":"X. Li, E. Yakaboylu, G. Bighin, R. Schmidt, M. Lemeshko, A. Deuchert, The Journal of Chemical Physics 152 (2020).","ieee":"X. Li, E. Yakaboylu, G. Bighin, R. Schmidt, M. Lemeshko, and A. Deuchert, “Intermolecular forces and correlations mediated by a phonon bath,” The Journal of Chemical Physics, vol. 152, no. 16. AIP Publishing, 2020.","apa":"Li, X., Yakaboylu, E., Bighin, G., Schmidt, R., Lemeshko, M., & Deuchert, A. (2020). Intermolecular forces and correlations mediated by a phonon bath. The Journal of Chemical Physics. AIP Publishing. https://doi.org/10.1063/1.5144759","ama":"Li X, Yakaboylu E, Bighin G, Schmidt R, Lemeshko M, Deuchert A. Intermolecular forces and correlations mediated by a phonon bath. The Journal of Chemical Physics. 2020;152(16). doi:10.1063/1.5144759","chicago":"Li, Xiang, Enderalp Yakaboylu, Giacomo Bighin, Richard Schmidt, Mikhail Lemeshko, and Andreas Deuchert. “Intermolecular Forces and Correlations Mediated by a Phonon Bath.” The Journal of Chemical Physics. AIP Publishing, 2020. https://doi.org/10.1063/1.5144759.","ista":"Li X, Yakaboylu E, Bighin G, Schmidt R, Lemeshko M, Deuchert A. 2020. Intermolecular forces and correlations mediated by a phonon bath. The Journal of Chemical Physics. 152(16), 164302."},"title":"Intermolecular forces and correlations mediated by a phonon bath","author":[{"last_name":"Li","full_name":"Li, Xiang","first_name":"Xiang","id":"4B7E523C-F248-11E8-B48F-1D18A9856A87"},{"id":"38CB71F6-F248-11E8-B48F-1D18A9856A87","first_name":"Enderalp","last_name":"Yakaboylu","orcid":"0000-0001-5973-0874","full_name":"Yakaboylu, Enderalp"},{"full_name":"Bighin, Giacomo","orcid":"0000-0001-8823-9777","last_name":"Bighin","id":"4CA96FD4-F248-11E8-B48F-1D18A9856A87","first_name":"Giacomo"},{"first_name":"Richard","last_name":"Schmidt","full_name":"Schmidt, Richard"},{"first_name":"Mikhail","id":"37CB05FA-F248-11E8-B48F-1D18A9856A87","orcid":"0000-0002-6990-7802","full_name":"Lemeshko, Mikhail","last_name":"Lemeshko"},{"full_name":"Deuchert, Andreas","orcid":"0000-0003-3146-6746","last_name":"Deuchert","first_name":"Andreas","id":"4DA65CD0-F248-11E8-B48F-1D18A9856A87"}],"external_id":{"arxiv":["1912.02658"],"isi":["000530448300001"]},"article_processing_charge":"No","acknowledgement":"We are grateful to Areg Ghazaryan for valuable discussions. M.L. acknowledges support from the Austrian Science Fund (FWF) under Project No. P29902-N27 and from the European Research Council (ERC) Starting Grant No. 801770 (ANGULON). G.B. acknowledges support from the Austrian Science Fund (FWF) under Project No. M2461-N27. A.D. acknowledges funding from the European Union’s Horizon 2020 research and innovation programme under the European Research Council (ERC) Grant Agreement No. 694227 and under the Marie Sklodowska-Curie Grant Agreement No. 836146. R.S. was supported by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) under Germany’s Excellence Strategy – EXC-2111 – 390814868.","publisher":"AIP Publishing","quality_controlled":"1","oa":1,"day":"27","publication":"The Journal of Chemical Physics","isi":1,"year":"2020","date_published":"2020-04-27T00:00:00Z","doi":"10.1063/1.5144759","date_created":"2020-09-30T10:33:17Z","_id":"8587","status":"public","keyword":["Physical and Theoretical Chemistry","General Physics and Astronomy"],"article_type":"original","type":"journal_article","date_updated":"2023-09-07T13:16:42Z","department":[{"_id":"MiLe"},{"_id":"RoSe"}],"oa_version":"Preprint","abstract":[{"text":"Inspired by the possibility to experimentally manipulate and enhance chemical reactivity in helium nanodroplets, we investigate the effective interaction and the resulting correlations between two diatomic molecules immersed in a bath of bosons. By analogy with the bipolaron, we introduce the biangulon quasiparticle describing two rotating molecules that align with respect to each other due to the effective attractive interaction mediated by the excitations of the bath. We study this system in different parameter regimes and apply several theoretical approaches to describe its properties. Using a Born–Oppenheimer approximation, we investigate the dependence of the effective intermolecular interaction on the rotational state of the two molecules. In the strong-coupling regime, a product-state ansatz shows that the molecules tend to have a strong alignment in the ground state. To investigate the system in the weak-coupling regime, we apply a one-phonon excitation variational ansatz, which allows us to access the energy spectrum. In comparison to the angulon quasiparticle, the biangulon shows shifted angulon instabilities and an additional spectral instability, where resonant angular momentum transfer between the molecules and the bath takes place. These features are proposed as an experimentally observable signature for the formation of the biangulon quasiparticle. Finally, by using products of single angulon and bare impurity wave functions as basis states, we introduce a diagonalization scheme that allows us to describe the transition from two separated angulons to a biangulon as a function of the distance between the two molecules.","lang":"eng"}],"month":"04","intvolume":" 152","main_file_link":[{"url":"https://arxiv.org/abs/1912.02658","open_access":"1"}],"language":[{"iso":"eng"}],"publication_identifier":{"issn":["0021-9606"],"eissn":["1089-7690"]},"publication_status":"published","volume":152,"related_material":{"record":[{"relation":"dissertation_contains","status":"public","id":"8958"}]},"issue":"16","ec_funded":1},{"type":"journal_article","article_type":"original","tmp":{"legal_code_url":"https://creativecommons.org/licenses/by/4.0/legalcode","image":"/images/cc_by.png","name":"Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)","short":"CC BY (4.0)"},"status":"public","_id":"8644","department":[{"_id":"MiLe"}],"file_date_updated":"2020-10-12T12:18:47Z","date_updated":"2023-09-07T13:44:16Z","ddc":["530"],"scopus_import":"1","month":"09","intvolume":" 22","abstract":[{"lang":"eng","text":"Determining the phase diagram of systems consisting of smaller subsystems 'connected' via a tunable coupling is a challenging task relevant for a variety of physical settings. A general question is whether new phases, not present in the uncoupled limit, may arise. We use machine learning and a suitable quasidistance between different points of the phase diagram to study layered spin models, in which the spin variables constituting each of the uncoupled systems (to which we refer as layers) are coupled to each other via an interlayer coupling. In such systems, in general, composite order parameters involving spins of different layers may emerge as a consequence of the interlayer coupling. We focus on the layered Ising and Ashkin–Teller models as a paradigmatic case study, determining their phase diagram via the application of a machine learning algorithm to the Monte Carlo data. Remarkably our technique is able to correctly characterize all the system phases also in the case of hidden order parameters, i.e. order parameters whose expression in terms of the microscopic configurations would require additional preprocessing of the data fed to the algorithm. We correctly retrieve the three known phases of the Ashkin–Teller model with ferromagnetic couplings, including the phase described by a composite order parameter. For the bilayer and trilayer Ising models the phases we find are only the ferromagnetic and the paramagnetic ones. Within the approach we introduce, owing to the construction of convolutional neural networks, naturally suitable for layered image-like data with arbitrary number of layers, no preprocessing of the Monte Carlo data is needed, also with regard to its spatial structure. The physical meaning of our results is discussed and compared with analytical data, where available. Yet, the method can be used without any a priori knowledge of the phases one seeks to find and can be applied to other models and structures."}],"oa_version":"Published Version","related_material":{"record":[{"id":"10759","status":"public","relation":"dissertation_contains"}]},"issue":"9","volume":22,"ec_funded":1,"publication_identifier":{"issn":["13672630"]},"publication_status":"published","file":[{"success":1,"checksum":"c9238fff422e7a957c3a0d559f756b3a","file_id":"8650","content_type":"application/pdf","relation":"main_file","access_level":"open_access","file_name":"2020_NewJournalPhysics_Rzdkowski.pdf","date_created":"2020-10-12T12:18:47Z","file_size":2725143,"date_updated":"2020-10-12T12:18:47Z","creator":"dernst"}],"language":[{"iso":"eng"}],"project":[{"grant_number":"665385","name":"International IST Doctoral Program","_id":"2564DBCA-B435-11E9-9278-68D0E5697425","call_identifier":"H2020"},{"_id":"05A235A0-7A3F-11EA-A408-12923DDC885E","grant_number":"25681","name":"Analytic and machine learning approaches to composite quantum impurities"},{"call_identifier":"FWF","_id":"26986C82-B435-11E9-9278-68D0E5697425","name":"A path-integral approach to composite impurities","grant_number":"M02641"}],"article_number":"093026","author":[{"last_name":"Rzadkowski","orcid":"0000-0002-1106-4419","full_name":"Rzadkowski, Wojciech","first_name":"Wojciech","id":"48C55298-F248-11E8-B48F-1D18A9856A87"},{"first_name":"N","full_name":"Defenu, N","last_name":"Defenu"},{"first_name":"S","last_name":"Chiacchiera","full_name":"Chiacchiera, S"},{"last_name":"Trombettoni","full_name":"Trombettoni, A","first_name":"A"},{"id":"4CA96FD4-F248-11E8-B48F-1D18A9856A87","first_name":"Giacomo","orcid":"0000-0001-8823-9777","full_name":"Bighin, Giacomo","last_name":"Bighin"}],"article_processing_charge":"No","external_id":{"isi":["000573298000001"]},"title":"Detecting composite orders in layered models via machine learning","citation":{"ieee":"W. Rzadkowski, N. Defenu, S. Chiacchiera, A. Trombettoni, and G. Bighin, “Detecting composite orders in layered models via machine learning,” New Journal of Physics, vol. 22, no. 9. IOP Publishing, 2020.","short":"W. Rzadkowski, N. Defenu, S. Chiacchiera, A. Trombettoni, G. Bighin, New Journal of Physics 22 (2020).","apa":"Rzadkowski, W., Defenu, N., Chiacchiera, S., Trombettoni, A., & Bighin, G. (2020). Detecting composite orders in layered models via machine learning. New Journal of Physics. IOP Publishing. https://doi.org/10.1088/1367-2630/abae44","ama":"Rzadkowski W, Defenu N, Chiacchiera S, Trombettoni A, Bighin G. Detecting composite orders in layered models via machine learning. New Journal of Physics. 2020;22(9). doi:10.1088/1367-2630/abae44","mla":"Rzadkowski, Wojciech, et al. “Detecting Composite Orders in Layered Models via Machine Learning.” New Journal of Physics, vol. 22, no. 9, 093026, IOP Publishing, 2020, doi:10.1088/1367-2630/abae44.","ista":"Rzadkowski W, Defenu N, Chiacchiera S, Trombettoni A, Bighin G. 2020. Detecting composite orders in layered models via machine learning. New Journal of Physics. 22(9), 093026.","chicago":"Rzadkowski, Wojciech, N Defenu, S Chiacchiera, A Trombettoni, and Giacomo Bighin. “Detecting Composite Orders in Layered Models via Machine Learning.” New Journal of Physics. IOP Publishing, 2020. https://doi.org/10.1088/1367-2630/abae44."},"user_id":"4359f0d1-fa6c-11eb-b949-802e58b17ae8","publisher":"IOP Publishing","quality_controlled":"1","oa":1,"acknowledgement":"We thank Gesualdo Delfino, Michele Fabrizio, Piero Ferrarese, Robert Konik, Christoph Lampert and Mikhail Lemeshko for stimulating discussions at various stages of this work. WR has received funding from the EU Horizon 2020 program under the Marie Skłodowska-Curie Grant Agreement No. 665385 and is a recipient of a DOC Fellowship of the Austrian Academy of Sciences. GB acknowledges support from the Austrian Science Fund (FWF), under project No. M2641-N27. ND acknowledges support by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) via Collaborative Research Center SFB 1225 (ISOQUANT)--project-id 273811115--and under Germany's Excellence Strategy 'EXC-2181/1-390900948' (the Heidelberg STRUCTURES Excellence Cluster).","date_published":"2020-09-01T00:00:00Z","doi":"10.1088/1367-2630/abae44","date_created":"2020-10-11T22:01:14Z","has_accepted_license":"1","isi":1,"year":"2020","day":"01","publication":"New Journal of Physics"},{"month":"12","alternative_title":["ISTA Thesis"],"oa_version":"Published Version","abstract":[{"lang":"eng","text":"The oft-quoted dictum by Arthur Schawlow: ``A diatomic molecule has one atom too many'' has been disavowed. Inspired by the possibility to experimentally manipulate and enhance chemical reactivity in helium nanodroplets, we investigate the rotation of coupled cold molecules in the presence of a many-body environment.\r\nIn this thesis, we introduce new variational approaches to quantum impurities and apply them to the Fröhlich polaron - a quasiparticle formed out of an electron (or other point-like impurity) in a polar medium, and to the angulon - a quasiparticle formed out of a rotating molecule in a bosonic bath.\r\nWith this theoretical toolbox, we reveal the self-localization transition for the angulon quasiparticle. We show that, unlike for polarons, self-localization of angulons occurs at finite impurity-bath coupling already at the mean-field level. The transition is accompanied by the spherical-symmetry breaking of the angulon ground state and a discontinuity in the first derivative of the ground-state energy. Moreover, the type of symmetry breaking is dictated by the symmetry of the microscopic impurity-bath interaction, which leads to a number of distinct self-localized states. \r\nFor the system containing multiple impurities, by analogy with the bipolaron, we introduce the biangulon quasiparticle describing two rotating molecules that align with respect to each other due to the effective attractive interaction mediated by the excitations of the bath. We study this system from the strong-coupling regime to the weak molecule-bath interaction regime. We show that the molecules tend to have a strong alignment in the ground state, the biangulon shows shifted angulon instabilities and an additional spectral instability, where resonant angular momentum transfer between the molecules and the bath takes place. Finally, we introduce a diagonalization scheme that allows us to describe the transition from two separated angulons to a biangulon as a function of the distance between the two molecules."}],"ec_funded":1,"related_material":{"record":[{"relation":"part_of_dissertation","id":"5886","status":"public"},{"status":"public","id":"8587","relation":"part_of_dissertation"},{"status":"public","id":"1120","relation":"part_of_dissertation"}]},"language":[{"iso":"eng"}],"file":[{"success":1,"file_id":"8967","checksum":"3994c54a1241451d561db1d4f43bad30","content_type":"application/pdf","relation":"main_file","access_level":"open_access","file_name":"THESIS_Xiang_Li.pdf","date_created":"2020-12-22T10:55:56Z","file_size":3622305,"date_updated":"2020-12-22T10:55:56Z","creator":"xli"},{"relation":"source_file","access_level":"closed","content_type":"application/x-zip-compressed","checksum":"0954ecfc5554c05615c14de803341f00","file_id":"8968","creator":"xli","file_size":4018859,"date_updated":"2020-12-30T07:18:03Z","file_name":"THESIS_Xiang_Li.zip","date_created":"2020-12-22T10:56:03Z"}],"degree_awarded":"PhD","publication_status":"published","publication_identifier":{"issn":["2663-337X"]},"status":"public","type":"dissertation","_id":"8958","file_date_updated":"2020-12-30T07:18:03Z","department":[{"_id":"MiLe"}],"ddc":["539"],"date_updated":"2023-09-20T11:30:58Z","supervisor":[{"id":"37CB05FA-F248-11E8-B48F-1D18A9856A87","first_name":"Mikhail","last_name":"Lemeshko","orcid":"0000-0002-6990-7802","full_name":"Lemeshko, Mikhail"}],"oa":1,"publisher":"Institute of Science and Technology Austria","date_created":"2020-12-21T09:44:30Z","doi":"10.15479/AT:ISTA:8958","date_published":"2020-12-21T00:00:00Z","page":"125","day":"21","year":"2020","has_accepted_license":"1","project":[{"name":"Quantum rotations in the presence of a many-body environment","grant_number":"P29902","_id":"26031614-B435-11E9-9278-68D0E5697425","call_identifier":"FWF"},{"grant_number":"801770","name":"Angulon: physics and applications of a new quasiparticle","_id":"2688CF98-B435-11E9-9278-68D0E5697425","call_identifier":"H2020"}],"title":"Rotation of coupled cold molecules in the presence of a many-body environment","article_processing_charge":"No","author":[{"id":"4B7E523C-F248-11E8-B48F-1D18A9856A87","first_name":"Xiang","last_name":"Li","full_name":"Li, Xiang"}],"user_id":"c635000d-4b10-11ee-a964-aac5a93f6ac1","citation":{"ista":"Li X. 2020. Rotation of coupled cold molecules in the presence of a many-body environment. Institute of Science and Technology Austria.","chicago":"Li, Xiang. “Rotation of Coupled Cold Molecules in the Presence of a Many-Body Environment.” Institute of Science and Technology Austria, 2020. https://doi.org/10.15479/AT:ISTA:8958.","ieee":"X. Li, “Rotation of coupled cold molecules in the presence of a many-body environment,” Institute of Science and Technology Austria, 2020.","short":"X. Li, Rotation of Coupled Cold Molecules in the Presence of a Many-Body Environment, Institute of Science and Technology Austria, 2020.","apa":"Li, X. (2020). Rotation of coupled cold molecules in the presence of a many-body environment. Institute of Science and Technology Austria. https://doi.org/10.15479/AT:ISTA:8958","ama":"Li X. Rotation of coupled cold molecules in the presence of a many-body environment. 2020. doi:10.15479/AT:ISTA:8958","mla":"Li, Xiang. Rotation of Coupled Cold Molecules in the Presence of a Many-Body Environment. Institute of Science and Technology Austria, 2020, doi:10.15479/AT:ISTA:8958."}},{"scopus_import":"1","main_file_link":[{"url":"https://doi.org/10.1063/5.0005194","open_access":"1"}],"month":"05","intvolume":" 152","abstract":[{"text":"When short-range attractions are combined with long-range repulsions in colloidal particle systems, complex microphases can emerge. Here, we study a system of isotropic particles, which can form lamellar structures or a disordered fluid phase when temperature is varied. We show that, at equilibrium, the lamellar structure crystallizes, while out of equilibrium, the system forms a variety of structures at different shear rates and temperatures above melting. The shear-induced ordering is analyzed by means of principal component analysis and artificial neural networks, which are applied to data of reduced dimensionality. Our results reveal the possibility of inducing ordering by shear, potentially providing a feasible route to the fabrication of ordered lamellar structures from isotropic particles.","lang":"eng"}],"oa_version":"Published Version","related_material":{"record":[{"status":"public","id":"10759","relation":"dissertation_contains"}]},"issue":"20","volume":152,"ec_funded":1,"publication_identifier":{"eissn":["10897690"]},"publication_status":"published","language":[{"iso":"eng"}],"type":"journal_article","article_type":"original","status":"public","_id":"7956","department":[{"_id":"MiLe"}],"date_updated":"2024-02-28T13:00:28Z","publisher":"AIP Publishing","quality_controlled":"1","oa":1,"doi":"10.1063/5.0005194","date_published":"2020-05-29T00:00:00Z","date_created":"2020-06-14T22:00:49Z","isi":1,"year":"2020","day":"29","publication":"The Journal of chemical physics","project":[{"_id":"2564DBCA-B435-11E9-9278-68D0E5697425","call_identifier":"H2020","name":"International IST Doctoral Program","grant_number":"665385"}],"article_number":"204905","author":[{"first_name":"J.","full_name":"Pȩkalski, J.","last_name":"Pȩkalski"},{"last_name":"Rzadkowski","orcid":"0000-0002-1106-4419","full_name":"Rzadkowski, Wojciech","id":"48C55298-F248-11E8-B48F-1D18A9856A87","first_name":"Wojciech"},{"first_name":"A. Z.","last_name":"Panagiotopoulos","full_name":"Panagiotopoulos, A. Z."}],"external_id":{"isi":["000537900300001"],"arxiv":["2002.07294"]},"article_processing_charge":"No","title":"Shear-induced ordering in systems with competing interactions: A machine learning study","citation":{"chicago":"Pȩkalski, J., Wojciech Rzadkowski, and A. Z. Panagiotopoulos. “Shear-Induced Ordering in Systems with Competing Interactions: A Machine Learning Study.” The Journal of Chemical Physics. AIP Publishing, 2020. https://doi.org/10.1063/5.0005194.","ista":"Pȩkalski J, Rzadkowski W, Panagiotopoulos AZ. 2020. Shear-induced ordering in systems with competing interactions: A machine learning study. The Journal of chemical physics. 152(20), 204905.","mla":"Pȩkalski, J., et al. “Shear-Induced Ordering in Systems with Competing Interactions: A Machine Learning Study.” The Journal of Chemical Physics, vol. 152, no. 20, 204905, AIP Publishing, 2020, doi:10.1063/5.0005194.","ieee":"J. Pȩkalski, W. Rzadkowski, and A. Z. Panagiotopoulos, “Shear-induced ordering in systems with competing interactions: A machine learning study,” The Journal of chemical physics, vol. 152, no. 20. AIP Publishing, 2020.","short":"J. Pȩkalski, W. Rzadkowski, A.Z. Panagiotopoulos, The Journal of Chemical Physics 152 (2020).","ama":"Pȩkalski J, Rzadkowski W, Panagiotopoulos AZ. Shear-induced ordering in systems with competing interactions: A machine learning study. The Journal of chemical physics. 2020;152(20). doi:10.1063/5.0005194","apa":"Pȩkalski, J., Rzadkowski, W., & Panagiotopoulos, A. Z. (2020). Shear-induced ordering in systems with competing interactions: A machine learning study. The Journal of Chemical Physics. AIP Publishing. https://doi.org/10.1063/5.0005194"},"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87"}]