Soft-phonon anharmonicity, floppy modes, and Na diffusion in <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:msub><mml:mi>Na</mml:mi><mml:mn>3</mml:mn></mml:msub><mml:mi mathvariant="normal">F</mml:mi><mml:mi>Y</mml:mi></mml:mrow><mml:mo> </mml:mo><mml:mrow><mml:mo>(</mml:mo><mml:mi>Y</mml:mi><mml:mo>=</mml:mo><mml:mi mathvariant="normal">S</mml:mi><mml:mo>,</mml:mo><mml:mi>Se</mml:mi><mml:mo>,</mml:mo><mml:mi>Te</mml:mi><mml:mo>)</mml:mo></mml:mrow></mml:math> : <i>Ab initio</i> and machine-learned molecular dynamics simulations-Reference-Cited by-同舟云学术

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Soft-phonon anharmonicity, floppy modes, and Na diffusion in Na3FY (Y=S,Se,Te) : Ab initio and machine-learned molecular dynamics simulations

Published:2022-07-25 Issue:1 Volume:106 Page:
ISSN:2469-9950
Container-title:Physical Review B
language:en
Short-container-title:Phys. Rev. B

Author:

Gupta Mayanak Kumar,Kumar Sajan,Mittal Ranjan^ORCID,Chaplot Samrath L.^ORCID

Funder

Bhabha Atomic Research Centre

Indian National Science Academy

Publisher

American Physical Society (APS)

Link

http://harvest.aps.org/v2/journals/articles/10.1103/PhysRevB.106.014311/fulltext

Reference76 articles.

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