几种钙钛矿型晶体极化性能的从头算分子动力学研究

肖正泉,缪强,罗豪甦

Ab initio Molecular Dynamics Study on Polarization Property of Selected Perovskite Structure Crystals

XIAO Zheng-Quan^1,3, MIAO Qiang*^,1, LUO Hao-Su²

化学学报 . 2006, (12): 1209 -1212 .