Elastic anisotropy, vibrational, and thermodynamic properties of U2Ti intermetallic compound with AlB2-type structure under high pressure up to 100 GPa
【作者单位】1 Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, People's Republic of China 2 Department of Physics, Taiyuan Normal University, Taiyuan 030031, People's Republic of China 3 Key Laboratory of High Energy Density Physics and Technology of Ministry of Education, Sichuan University, Chengdu 610064, People's Republic of China 4 Key Laboratory of Neutron Physics, Institute of Nuclear Physics and Chemistry, China Academy of Engineering Physics, Mianyang 621900, People's Republic of China
【摘要】 Structural, elastic anisotropy, dynamical, and thermodynamic properties of U2Ti have been studied by employing density functional theory and density functional perturbative theory. The optimized lattice parameters a, c, unit volume V, bulk modulus B,...
