【作者单位】1 Department of Physics, Taiyuan Normal University, Jinzhong, 030619, China; 2 Institute of Computational and Applied Physics, Taiyuan Normal University, Jinzhong, 030619, China
【年份】2022
【卷号】Vol.199
【页码】110968
【ISSN】0042-207X
【关键词】Mg-Er Phonon stability Thermodynamics Ab initio
【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...
