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Pressure effect of the mechanical, electronics and thermodynamic properties of Mg–B compounds A first-principles investigations

First principle calculations were performed to investigate the structural, mechanical, electronic properties, and thermodynamic properties of three binary Mg–B compounds under pressure, by using the first principle method. The results implied that the structural parameters and the mechanical propert...

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Bibliografiske detaljer
Udgivet i:Sci Rep
Main Authors: Zhang, GuoWei, Xu, Chao, Wang, MingJie, Dong, Ying, Sun, FengEr, Ren, XiaoYan, Xu, Hong, Zhao, YuHong
Format: Artigo
Sprog:Inglês
Udgivet: Nature Publishing Group UK 2021
Fag:
Online adgang:https://ncbi.nlm.nih.gov/pmc/articles/PMC7969778/
https://ncbi.nlm.nih.gov/pubmed/33731866
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41598-021-85654-z
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