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    Please use this identifier to cite or link to this item: http://tkuir.lib.tku.edu.tw:8080/dspace/handle/987654321/117060

    Title: Spin-charge-lattice coupling in YBaCuFeO5: Optical properties and first-principles calculations
    Authors: Chen, H. W.;Chen, Y.-W.;Kuo, J.-L.;Lai, Y. C.;Chou, F. C.;Du, C. H.;Liu, H. L.
    Date: 2019-03
    Issue Date: 2019-09-20 12:10:27 (UTC+8)
    Publisher: Springer Nature
    Abstract: We combined spectroscopic ellipsometry, Raman scattering spectroscopy, and first-principles calculations to explore the optical properties of YBaCuFeO5 single crystals. Measuring the optical absorption spectrum of YBaCuFeO5 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 Eg phonon mode was observed at 175 K. The value of the spin–phonon coupling constant was 15.7 mRy/Å2. These results suggest a complex nature of spin–charge–lattice interactions in YBaCuFeO5.
    Relation: Scientific Report 9, p.3223
    DOI: 10.1038/s41598-019-39031-6
    Appears in Collections:[Graduate Institute & Department of Physics] Journal Article

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