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Anharmonic lattice dynamics via the special displacement method

Published:2023-07-31 Issue:3 Volume:108 Page:
ISSN:2469-9950
Container-title:Physical Review B
language:en
Short-container-title:Phys. Rev. B

Author:

Zacharias Marios^ORCID,Volonakis George^ORCID,Giustino Feliciano^ORCID,Even Jacky^ORCID

Funder

H2020 Marie Skłodowska-Curie Actions

Institut Universitaire de France

National Science Foundation

Partnership for Advanced Computing in Europe AISBL

University of Texas at Austin

Publisher

American Physical Society (APS)

Link

http://harvest.aps.org/v2/journals/articles/10.1103/PhysRevB.108.035155/fulltext

Reference85 articles.

1. Entropy Driven Stabilization of Energetically Unstable Crystal Structures Explained from First Principles Theory

2. Lattice dynamics of anharmonic solids from first principles

3. Role of Disorder and Anharmonicity in the Thermal Conductivity of Silicon-Germanium Alloys: A First-Principles Study

4. Anharmonic Stabilization of the High-Pressure Simple Cubic Phase of Calcium

5. First-Principles Theory of Anharmonicity and the Inverse Isotope Effect in Superconducting Palladium-Hydride Compounds

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