机译:LaNi4.5Al0.5氢化物相的密度泛函理论研究:电子性质和位点占据
Department of Physics, Xinyang Normal University, Xinyang 464000, China;
Department of Physics, Xinyang Normal University, Xinyang 464000, China;
Department of Physics, Xinyang Normal University, Xinyang 464000, China;
Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, China;
hydrogen storage materials, LaNi4.5Al0.5, hydride phase, electronic structure;