The disproportionation reaction phase transition, mechanical, and lattice dynamical properties of the lanthanum dihydrides under high pressure: A first principles study.
【作者单位】a Institute of Atomic and Molecular Physics, Sichuan University, Chengdu, Sichuan 610065, People's Republic of China b Department of Physics, Taiyuan Normal University, Taiyuan, Shanxi 030031, People's Republic of China
【年份】2014
【卷号】Vol.32
【页码】76-82
【ISSN】1293-2558
【关键词】LaH2 Phase separation Elastic properties Dynamical First principles High pressure
【摘要】 The pressure-induced disproportionation reaction phase transition, mechanical, and dynamical properties of LaH 2 with fluorite structure under high pressure are investigated by performing first-principles calculations using the projector augmented w...
