Phase transition and electronic properties of Co–As binary compounds at high pressure

New stable stoichiometries in the Co–As system are investigated up to 100 GPa by the CALYPSO structure prediction method. In particular, we found three novel stable compounds of Co(2)As-Pnma, CoAs(2)-Pnnm, and CoAs(3)-C2/m at high pressure. According to the theoretical electronic band structures, th...

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Detalles Bibliográficos
Autores principales: Zhang, Ao, Dan, Yaqian, Liu, Han, Liu, Siyuan, Yue, Jincheng, Li, Junda, Huang, Yanping, Liu, Yanhui, Cui, Tian
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2022
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9210071/
https://www.ncbi.nlm.nih.gov/pubmed/35800306
http://dx.doi.org/10.1039/d2ra02114e

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9210071/
https://www.ncbi.nlm.nih.gov/pubmed/35800306
http://dx.doi.org/10.1039/d2ra02114e

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