@article{oai:kyutech.repo.nii.ac.jp:00006961, author = {Hanate, Hiroki and Hasegawa, Takumi and Tsutsui, Satoshi and Nakamura, Kazuma and 中村, 和磨 and Yoshimoto, Yoshihide and Kishigami, Naohiro and Haneta, Sho and Matsuhira, Kazuyuki and 松平, 和之}, issue = {5}, journal = {Journal of the Physical Society of Japan}, month = {Apr}, note = {In this study, we report the results of experiments and calculations of phonon dispersion of iridium oxide with a strong spin–orbit interaction (SOI). Using inelastic X-ray scattering (IXS), we measured the IXS spectra of Ca5Ir3O12 along Γ–A, Γ–M, and Γ–K–M directions in the Brillouin zone of a hexagonal lattice at room temperature. We also show ab initio density-functional phonon dispersions based on local density approximation and generalized gradient approximation (GGA) considering SOI. By comparing the experimental and calculated results, we found that the GGA phonon dispersion with SOI is in very good agreement with the experimental results. The phonon calculation was performed for supercells of 1 × 1 × 3 and preliminary 2 × 2 × 1. We found no phonon instability within these supercells. Low-energy phonon properties such as Debye temperature, specific heat, and sound velocity are also discussed.}, pages = {053601-1--053601-5}, title = {Study of Phonon Dispersion of Iridium Oxide Ca5Ir3O12 with Strong Spin–Orbit Interaction}, volume = {89}, year = {2020}, yomi = {ナカムラ, カズマ and マツヒラ, カズユキ} }