【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】2022
【卷号】Vol.199
【ISSN】0042-207X
【关键词】Ab initio Mg-Er Phonon stability Thermodynamics
【摘要】 We report the results of a first principles study of electronic structure, elastic properties, ideal strengths, phonon stability and thermodynamic properties of the Mg–Er system. The calculations have been carried out within density-functional theory...
