Journal article LO-mode phonon of KCl and NaCl at 300 K by inelastic x-ray scattering measurements and first principles calculations
Atsushi Togo (author) (Search by this author)
ORCID https://orcid.org/0000-0001-8393-9766
Research and Services Division of Materials Data and Integrated System, National Institute for Materials Science
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ORCID SAMURAI ;
Hiroyuki Hayashi (author) (Search by this author)
Kyoto University
;
Terumasa Tadano (author) (Search by this author)
ORCID https://orcid.org/0000-0002-8132-2161
Research Center for Magnetic and Spintronic Materials, National Institute for Materials Science
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ORCID SAMURAI ;
Satoshi Tsutsui (author) (Search by this author)
Japan Synchrotron Radiation Research Institute
;
Isao Tanaka (author) (Search by this author)
Kyoto University
Togo_2022_J._Phys.__Condens._Matter_34_365401.pdf
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Citation
Atsushi Togo, Hiroyuki Hayashi, Terumasa Tadano, Satoshi Tsutsui, Isao Tanaka. LO-mode phonon of KCl and NaCl at 300 K by inelastic x-ray scattering measurements and first principles calculations. JOURNAL OF PHYSICS-CONDENSED MATTER. 2022, 34 (36), 365401-365401. https://doi.org/10.1088/1361-648X/ac7b01
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(abstract)

Longitudinal-optical (LO) mode phonon branches of KCl and NaCl were measured using inelastic x-ray scattering (IXS) at 300 K and calculated by the first-principles phonon calculation with the stochastic self-consistent harmonic approximation. Spectral shapes of the IXS measurements and calculated spectral functions agreed well. We analyzed the calculated spectral functions that provide higher resolutions of the spectra than the IXS measurements. Due to strong anharmonicity, the spectral functions of these phonon branches have several peaks and the LO modes along Γ–L paths are disconnected.

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Keyword: Phonon calculation, IXS measurment

Date published: 2022-09-07

Publisher: Institute of Physics Publishing

Journal:

  • JOURNAL OF PHYSICS-CONDENSED MATTER (ISSN: 09538984) vol. 34 issue. 36 p. 365401-365401

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Manuscript type: Publisher's version (Version of record)

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First published URL: https://doi.org/10.1088/1361-648X/ac7b01

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Updated at: 2024-01-05 22:12:13 +0900

Published on MDR: 2023-02-01 11:38:48 +0900

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