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First-principles calculations of mechanical and thermodynamic properties of tetragonal Be(12)Ti

The elastic and thermodynamic properties of tetragonal Be(12)Ti under high temperature and pressure are investigated by first-principles calculations based on pseudopotential plane-wave density functional theory (DFT) within the generalized gradient approximation (GGA) and quasi-harmonic approximati...

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Detalles Bibliográficos
Autores principales:	Liu, Xiankun, Feng, Qijie, Tang, Bin, Zheng, Jian, Zheng, Zhou, Zhou, Wei, Tian, Jiting, Wang, Jing
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	The Royal Society of Chemistry 2019
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9060667/ https://www.ncbi.nlm.nih.gov/pubmed/35515957 http://dx.doi.org/10.1039/c8ra08711c

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