Ab initio predictions of structure and physical properties of the Zr(2)GaC and Hf(2)GaC MAX phases under pressure

The electronic structure, structural stability, mechanical, phonon, and optical properties of Zr(2)GaC and Hf(2)GaC MAX phases have been investigated under high pressure using first-principles calculations. Formation enthalpy of competing phases, elastic constants, and phonon calculations revealed t...

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Detalles Bibliográficos
Autores principales: Qureshi, Muhammad Waqas, Ma, Xinxin, Tang, Guangze, Paudel, Ramesh
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2021
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7865039/
https://www.ncbi.nlm.nih.gov/pubmed/33547329
http://dx.doi.org/10.1038/s41598-021-82402-1

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7865039/
https://www.ncbi.nlm.nih.gov/pubmed/33547329
http://dx.doi.org/10.1038/s41598-021-82402-1

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