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...

Descripción completa

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

Internet

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

Ejemplares similares