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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Detalles Bibliográficos
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
Descripción
Sumario: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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