Ontology highlight
ABSTRACT:
SUBMITTER: Li X
PROVIDER: S-EPMC4652216 | biostudies-literature | 2015 Nov
REPOSITORIES: biostudies-literature
Li Xiaofeng X Hermann Andreas A Peng Feng F Lv Jian J Wang Yanchao Y Wang Hui H Ma Yanming Y
Scientific reports 20151119
High pressure can fundamentally alter the bonding patterns of chemical elements. Its effects include stimulating elements thought to be "inactive" to form unexpectedly stable compounds with unusual chemical and physical properties. Here, using an unbiased structure search method based on CALYPSO methodology and density functional total energy calculations, the phase stabilities and crystal structures of Li-Ar compounds are systematically investigated at high pressure up to 300 GPa. Two unexpecte ...[more]