【作者单位】a Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, China b Department of Physics, Taiyuan Normal University, Taiyuan 030031, China
【年份】2013
【卷号】Vol.429
【页码】119-126
【ISSN】0921-4526
【摘要】 The structural, electronic, mechanical, dynamical and thermodynamic properties of rare-earth dihydrides XH 2 (X=Sc, Y, and La) with the cubic fluorite structure have been systematically investigated by using the projector augmented wave (PAW) method...
