【作者单位】1 Department of Physics, Taiyuan Normal University, Taiyuan, P.R. China 2 Institute of Atomic and Molecular Physics, Sichuan University, Chengdu, P.R. China
【年份】2014
【卷号】Vol.251 No.4
【页码】792-802
【关键词】band structure elasticity first-principles calculations phonons thermodynamic properties YN
【摘要】 The electronic, mechanical, and thermodynamic properties of yttrium nitride with the rocksalt structure have been systematically investigated by using the projector augmented wave method. The calculated results compare very well with available experi...
