Automated coordination corrected enthalpies with AFLOW-CCE-Reference-Cited by-同舟云学术

Automated coordination corrected enthalpies with AFLOW-CCE

Published:2021-04-15 Issue:4 Volume:5 Page:
ISSN:2475-9953
Container-title:Physical Review Materials
language:en
Short-container-title:Phys. Rev. Materials

Author:

Friedrich Rico^ORCID,Esters Marco,Oses Corey^ORCID,Ki Stuart,Brenner Maxwell J.,Hicks David^ORCID,Mehl Michael J.^ORCID,Toher Cormac^ORCID,Curtarolo Stefano^ORCID

Funder

Office of Naval Research

National Science Foundation

Alexander von Humboldt-Stiftung

Publisher

American Physical Society (APS)

Subject

Physics and Astronomy (miscellaneous),General Materials Science

Link

http://harvest.aps.org/v2/journals/articles/10.1103/PhysRevMaterials.5.043803/fulltext

Reference74 articles.

1. Coordination corrected ab initio formation enthalpies

2. Semiconductor thermochemistry in density functional calculations

3. Formation enthalpies by mixing GGA and GGA+Ucalculations

4. Correcting density functional theory for accurate predictions of compound enthalpies of formation: Fitted elemental-phase reference energies

5. Challenges in Ceramic Science: A Report from the Workshop on Emerging Research Areas in Ceramic Science

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