【作者单位】1Department of Physics, Taiyuan Normal University, Jinzhong, 030619, China;2Institute of Computational and Applied Physics, Taiyuan Normal University, Jinzhong, 030619, China
【年份】2023
【页码】112128
【ISSN】0042-207X
【摘要】 Crystal structure, electronic structure, elastic anisotropy, and phonon of P6/mmc-MgCe and I4/m-MgCe have been thoroughly studied by employing density functional theory in conjunction with density functional perturbation theory . The relaxed lattice...
