【作者单位】1 Institute of Atomic and Molecular Physics, Sichuan University, Chengdu, P.R. China 2 Department of Physics, Taiyuan Normal University, Taiyuan, P.R. China 3 Key Laboratory of High Energy Density Physics and Technology of Ministry of Education, Sichuan University, Chengdu, P.R. China 4 Key Laboratory of Neutron Physics, Institute of Nuclear Physics and Chemistry, China Academy of Engineering Physics, Mianyang, P.R. China
【年份】2015
【卷号】Vol.252 No.3
【页码】521-531
【关键词】alpha-uranium density functional theory generalized gradient approximation phonons projector augmented wave method structure
【摘要】 We have performed first principles calculations for the electronic, dynamical, and thermodynamic properties of α-U using the projector augmented wave (PAW) method. The optimized lattice parameters, equilibrium volume, atomic energy, bulk modulus, and...
