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Crystal structures and mechanical properties of osmium diboride at high pressure

We have investigated the crystal structures and mechanical properties of osmium diboride (OsB(2)) based on the density functional theory. The structures of OsB(2) from 0 to 400 GPa were predicted using the particle swarm optimization algorithm structure prediction technique. The orthorhombic Pmmn st...

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Detalles Bibliográficos
Autores principales: Wang, Yi X., Liu, Ying Y., Yan, Zheng X., Liu, Wei, Zhou, Gao L., Xiong, Ke Z.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7970957/
https://www.ncbi.nlm.nih.gov/pubmed/33707654
http://dx.doi.org/10.1038/s41598-021-85334-y