氮化银结构特性的第一性原理研究  

Structure Properties of Silver Nitride:a First-principle Study

作　　者：于海林[1] 

机构地区：[1]常熟理工学院物理与电子科学系

出　　处：《常熟理工学院学报》2007年第4期33-37,共5页Journal of Changshu Institute of Technology

摘　　要：用第一性原理研究了氮化银的几种可能的结构。发现反ReO3结构的Ag3N、闪锌矿结构的AgN和萤石结构的AgN2满足力学稳定性的要求,并且给出了其结构特性。Several possible structures of silver nitride have been studied within the density functional theory. The anti-ReO3 structure of Ag3 N, the zinc-blende structure of AgN and the fluorite structure of AgN2 have been found to be mechanically stable, and their structural properties have also been characterized in our calculations.

关 键 词：第一性原理 结构 氮化银 

分 类 号：O48[理学—固体物理]