Electronic properties and elastic instability of ZnS under pressure
会议名称：《中国化学会第十五届全国化学热力学和热分析学术会议》
会议日期：2010年
学科分类：081704[工学-应用化学] 07[理学] 08[工学] 0817[工学-化学工程与技术] 0703[理学-化学] 070301[理学-无机化学]
关 键 词：Semiconductor ZnS Electronic properties Elastic instability High pressure
摘 要：正The electronic properties and elastic instability with the zinc-blende（B3） and rocksalt（B1） structures of ZnS under pressure have been investigated using pseudopotential and plane wave basis based on the density functional *** calculated zero pressure electronic properties and elastic