Spin-charge-lattice coupling in YBaCuFeO(5): Optical properties and first-principles calculations

We combined spectroscopic ellipsometry, Raman scattering spectroscopy, and first-principles calculations to explore the optical properties of YBaCuFeO(5) single crystals. Measuring the optical absorption spectrum of YBaCuFeO(5) at room temperature revealed a direct optical band gap at approximately...

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Autores principales: Chen, H. W., Chen, Y.-W., Kuo, J.-L., Lai, Y. C., Chou, F. C., Du, C. H., Liu, H. L.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2019
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6397168/
https://www.ncbi.nlm.nih.gov/pubmed/30824718
http://dx.doi.org/10.1038/s41598-019-39031-6
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author Chen, H. W.
Chen, Y.-W.
Kuo, J.-L.
Lai, Y. C.
Chou, F. C.
Du, C. H.
Liu, H. L.
author_facet Chen, H. W.
Chen, Y.-W.
Kuo, J.-L.
Lai, Y. C.
Chou, F. C.
Du, C. H.
Liu, H. L.
author_sort Chen, H. W.
collection PubMed
description We combined spectroscopic ellipsometry, Raman scattering spectroscopy, and first-principles calculations to explore the optical properties of YBaCuFeO(5) single crystals. Measuring the optical absorption spectrum of YBaCuFeO(5) at room temperature revealed a direct optical band gap at approximately 1.41 eV and five bands near 1.69, 2.47, 3.16, 4.26, and 5.54 eV. Based on first-principles calculations, the observed optical excitations were appropriately assigned. Analysis of the temperature dependence of the band gap indicated anomalies in antiferromagnetic phase transition at 455 and 175 K. Additionally, a hardening in the frequency of the E(g) phonon mode was observed at 175 K. The value of the spin–phonon coupling constant was 15.7 mRy/Å(2). These results suggest a complex nature of spin–charge–lattice interactions in YBaCuFeO(5).
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spelling pubmed-63971682019-03-05 Spin-charge-lattice coupling in YBaCuFeO(5): Optical properties and first-principles calculations Chen, H. W. Chen, Y.-W. Kuo, J.-L. Lai, Y. C. Chou, F. C. Du, C. H. Liu, H. L. Sci Rep Article We combined spectroscopic ellipsometry, Raman scattering spectroscopy, and first-principles calculations to explore the optical properties of YBaCuFeO(5) single crystals. Measuring the optical absorption spectrum of YBaCuFeO(5) at room temperature revealed a direct optical band gap at approximately 1.41 eV and five bands near 1.69, 2.47, 3.16, 4.26, and 5.54 eV. Based on first-principles calculations, the observed optical excitations were appropriately assigned. Analysis of the temperature dependence of the band gap indicated anomalies in antiferromagnetic phase transition at 455 and 175 K. Additionally, a hardening in the frequency of the E(g) phonon mode was observed at 175 K. The value of the spin–phonon coupling constant was 15.7 mRy/Å(2). These results suggest a complex nature of spin–charge–lattice interactions in YBaCuFeO(5). Nature Publishing Group UK 2019-03-01 /pmc/articles/PMC6397168/ /pubmed/30824718 http://dx.doi.org/10.1038/s41598-019-39031-6 Text en © The Author(s) 2019 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/.
spellingShingle Article
Chen, H. W.
Chen, Y.-W.
Kuo, J.-L.
Lai, Y. C.
Chou, F. C.
Du, C. H.
Liu, H. L.
Spin-charge-lattice coupling in YBaCuFeO(5): Optical properties and first-principles calculations
title Spin-charge-lattice coupling in YBaCuFeO(5): Optical properties and first-principles calculations
title_full Spin-charge-lattice coupling in YBaCuFeO(5): Optical properties and first-principles calculations
title_fullStr Spin-charge-lattice coupling in YBaCuFeO(5): Optical properties and first-principles calculations
title_full_unstemmed Spin-charge-lattice coupling in YBaCuFeO(5): Optical properties and first-principles calculations
title_short Spin-charge-lattice coupling in YBaCuFeO(5): Optical properties and first-principles calculations
title_sort spin-charge-lattice coupling in ybacufeo(5): optical properties and first-principles calculations
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6397168/
https://www.ncbi.nlm.nih.gov/pubmed/30824718
http://dx.doi.org/10.1038/s41598-019-39031-6
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