Orbital magneto-optical response of periodic insulators from first principles
dc.contributor.author | Lebedeva, Irina V. | |
dc.contributor.author | Strubbe, David A. | |
dc.contributor.author | Tokatly, Ilya | |
dc.contributor.author | Rubio Secades, Angel | |
dc.date.accessioned | 2019-05-15T10:34:08Z | |
dc.date.available | 2019-05-15T10:34:08Z | |
dc.date.issued | 2019-03-06 | |
dc.identifier.citation | npj Computational Materials 5 : (2019) // Article ID 32 | es_ES |
dc.identifier.issn | 2057-3960 | |
dc.identifier.uri | http://hdl.handle.net/10810/32809 | |
dc.description.abstract | Magneto-optical response, i.e. optical response in the presence of a magnetic field, is commonly used for characterization of materials and in optical communications. However, quantum mechanical description of electric and magnetic fields in crystals is not straightforward as the position operator is ill defined. We present a reformulation of the density matrix perturbation theory for time-dependent electromagnetic fields under periodic boundary conditions, which allows us to treat the orbital magneto-optical response of solids at the ab initio level. The efficiency of the computational scheme proposed is comparable to standard linear-response calculations of absorption spectra and the results of tests for molecules and solids agree with the available experimental data. A clear signature of the valley Zeeman effect is revealed in the continuum magneto-optical spectrum of a single layer of hexagonal boron nitride. The present formalism opens the path towards the study of magneto-optical effects in strongly driven low-dimensional systems. | es_ES |
dc.description.sponsorship | We acknowledge the financial support from the European Research Council (ERC2015-AdG-694097), Grupos Consolidados (IT578-13), European Union's H2020 program under GA no. 646259 (MOSTOPHOS) and no. 676580 (NOMAD) and Spanish Ministry (MINECO) Grant no. FIS2016-79464-P. | es_ES |
dc.language.iso | eng | es_ES |
dc.publisher | Springer | es_ES |
dc.relation | info:eu-repo/grantAgreement/EC/H2020/646259 | es_ES |
dc.relation | info:eu-repo/grantAgreement/EC/H2020/676580 | es_ES |
dc.relation | info:eu-repo/grantAgreement/MINECO/FIS2016-79464-P | es_ES |
dc.relation | info:eu-repo/grantAgreement/MINECO/IT578-13 | es_ES |
dc.rights | info:eu-repo/semantics/openAccess | es_ES |
dc.rights.uri | http://creativecommons.org/licenses/by/3.0/es/ | * |
dc.subject | magnetic circular-dichroism | es_ES |
dc.subject | polarization | es_ES |
dc.subject | absorption | es_ES |
dc.subject | spectrum | es_ES |
dc.subject | octopus | es_ES |
dc.subject | points | es_ES |
dc.subject | phase | es_ES |
dc.subject | tool | es_ES |
dc.title | Orbital magneto-optical response of periodic insulators from first principles | es_ES |
dc.type | info:eu-repo/semantics/article | es_ES |
dc.rights.holder | Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/. | es_ES |
dc.rights.holder | Atribución 3.0 España | * |
dc.relation.publisherversion | https://www.nature.com/articles/s41524-019-0170-7 | es_ES |
dc.identifier.doi | 10.1038/s41524-019-0170-7 | |
dc.departamentoes | Física de materiales | es_ES |
dc.departamentoeu | Materialen fisika | es_ES |
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Except where otherwise noted, this item's license is described as Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/.