# LO-mode phonon of KCl and NaCl at 300 K by inelastic x-ray scattering measurements and first principles calculations

https://mdr.nims.go.jp/datasets/5cf765ce-f697-4802-bf22-9ad682dce5df

## File

- [Togo_2022_J._Phys.__Condens._Matter_34_365401.pdf](https://mdr.nims.go.jp/filesets/089e2d81-bc0a-4dee-9cac-e73a093ec5ab/download) ([Detail](https://mdr.nims.go.jp/filesets/089e2d81-bc0a-4dee-9cac-e73a093ec5ab.md))

## Id

5cf765ce-f697-4802-bf22-9ad682dce5df

## Local identifier



## Visibility

open_to_public

## State

published

## Created at

2023-01-27T08:17:49.936947Z

## Updated at

2024-01-05T13:12:13.956043Z

## Published at

2023-02-01T02:38:48.798640Z

## Doi



## First published url

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

## Date published

2022-09-07

## Recorded date published

2022-9-7

## Resource type

journal_article

## Manuscript type

vor

## Collection



## Title

- title: LO-mode phonon of KCl and NaCl at 300 K by inelastic x-ray scattering measurements
    and first principles calculations
  title_type: original
  lang: en

## Description

- description: 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.
  description_type: abstract
  lang: eng

## Creator

- name: Atsushi Togo
  role: author
  orcid: https://orcid.org/0000-0001-8393-9766
  organization: National Institute for Materials Science
  department: Research and Services Division of Materials Data and Integrated System
  ror: https://ror.org/026v1ze26
- name: Hiroyuki Hayashi
  role: author
  organization: Kyoto University
- name: Terumasa Tadano
  role: author
  orcid: https://orcid.org/0000-0002-8132-2161
  organization: National Institute for Materials Science
  department: Research Center for Magnetic and Spintronic Materials
  ror: https://ror.org/026v1ze26
- name: Satoshi Tsutsui
  role: author
  organization: Japan Synchrotron Radiation Research Institute
- name: Isao Tanaka
  role: author
  organization: Kyoto University

## Contact agent



## Publisher

organization: Institute of Physics Publishing

## Managing organization



## Keyword

- subject: Phonon calculation
  schema: not_defined
- subject: IXS measurment
  schema: not_defined

## Rights

- description: Creative Commons BY Attribution 4.0 International
  identifier: https://creativecommons.org/licenses/by/4.0/

## Other identifier(s)



## Data origin



## Embargo



## Journal

- title: JOURNAL OF PHYSICS-CONDENSED MATTER
  issn: '09538984'
  volume: '34'
  issue: '36'
  start_page: 365401
  end_page: 365401

## Conference



## Related item



## Funding



## Instrument



## Instrument operator



## Instrument managing organization



## Measurement method



## Specimen



## Chemical composition



## Structure for specimen



## Structural feature for specimen



## Specific property for specimen



## Process for specimen treatment



## Computational method



## Energy level/transition state



## Software



## Custom property



## Fileset

- id: '089e2d81-bc0a-4dee-9cac-e73a093ec5ab'
  filename: Togo_2022_J._Phys.__Condens._Matter_34_365401.pdf
  content_type: application/pdf
  size: 11982946
  md5: 6ada19f472585cda4a6dbb1da5739b7d

## Thumbnail

fileset_id: '089e2d81-bc0a-4dee-9cac-e73a093ec5ab'
filename: Togo_2022_J._Phys.__Condens._Matter_34_365401.pdf