作者: Li-Ming Yang , Eric Ganz
DOI: 10.1039/C6CP01860B
关键词: Hexacoordinate 、 Chemical physics 、 Magnetism 、 Diamagnetism 、 Molecular dynamics 、 Ground state 、 Crystal 、 Nanotechnology 、 Chemistry 、 Quenching 、 Ab initio quantum chemistry methods
摘要: … are highly stable and are diamagnetic and metallic. Cu 2 P is … PBE functional as implemented in VASP. The Visualization for … Based on our results, the Cu 2 P and Cu 2 As monolayers …