@article{bd3f4af305454c10a77f2a36c32e4460,
title = "Spin-charge-lattice coupling in YBaCuFeO 5: Optical properties and first-principles calculations",
abstract = " 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/{\AA} 2 . These results suggest a complex nature of spin–charge–lattice interactions in YBaCuFeO 5 .",
author = "Chen, {H. W.} and Chen, {Y. W.} and Kuo, {J. L.} and Lai, {Y. C.} and Chou, {F. C.} and Du, {C. H.} and Liu, {H. L.}",
note = "Funding Information: H.L.L. thanks financial support from the Ministry of Science and Technology of Republic of China under Grants No. MOST 105-2112-M-003-013-MY3 and Academia Sinica under thematic project Grant No. AS-105-TP-A03. J.L.K. thanks financial support from the Ministry of Science and Technology of Republic of China under Grants No. MOST 105-2119-M-001-040-MY3 and MOST 107-2923-M-001-008-MY2. F.C.C. thanks financial support from the Ministry of Science and Technology of Republic of China under Grants No. MOST 103-2119-M-002-020-MY3. C.H.D. thanks financial support from the Ministry of Science and Technology of Republic of China under Grants No. 105-2119-M-032-002-MY2. Publisher Copyright: {\textcopyright} 2019, The Author(s).",
year = "2019",
month = dec,
day = "1",
doi = "10.1038/s41598-019-39031-6",
language = "English",
volume = "9",
journal = "Scientific reports",
issn = "2045-2322",
publisher = "Nature Publishing Group",
number = "1",
}