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Structural prediction of host-guest structure in lithium at high pressure

Ab initio random structure searching (AIRSS) technique is used to identify the high-pressure phases of lithium (Li). We proposed the transition mechanism from the fcc to host-guest (HG) structures at finite temperature and high pressure. This complex structural phase transformation has been calculat...

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Detalles Bibliográficos
Autores principales:	Tsuppayakorn-aek, Prutthipong, Luo, Wei, Watcharatharapong, Teeraphat, Ahuja, Rajeev, Bovornratanaraks, Thiti
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Nature Publishing Group UK 2018
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5869677/ https://www.ncbi.nlm.nih.gov/pubmed/29588486 http://dx.doi.org/10.1038/s41598-018-23473-5

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