【作者】H.J. Hou,F.J. Kong,J.W. Yang,S.Q. Wan,S.X. Yang
【刊名】Physica B: Condensed Matter
【作者单位】1 School of Materials Engineering, Yancheng Institute of Technology, Yancheng 224051, China; 2 Department of Physics, Yancheng Institute of Technology, Yancheng 224051, China; 3 Department of Physics, Taiyuan Normal University, Taiyuan 030031, China; 4 College of Biology & Chemical Engineering, Panzhihua University, Panzhihua 617000, China
【摘要】 The present work reports a study of the structural, elastic, dynamical and thermodynamic properties of rock salt LiCl within density functional theory. It is found that the lattice constant and elastic constants are in very good agreement with the o...