907 citations · 1.6k across the 16 of their papers we have counts for
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Structural, electronic, and thermodynamic properties of UN: Systematic density functional calculations
Yong Lu, Bao-Tian Wang, Rong-Wu Li +2
A systematic first-principle study is performed to calculate the lattice parameters, electronic structure, and thermodynamic properties of UN using the local-density approximation…
Magnetic coupling properties of rare-earth metals (Gd, Nd) doped ZnO: first-principles calculations
Hongliang Shi, Ping Zhang, Shu-Shen Li +1
The electronic structure and magnetic coupling properties of rare-earth metals (Gd, Nd) doped ZnO have been investigated using first-principles methods. We show that the magnetic c…
Optical properties of CeO2 using screened hybrid functional and GW+U methods
Hongliang Shi, Ping Zhang, Shu-Shen Li
The optical spectra of CeO2 have been systematically investigated using three first-principles computational approaches for comparison, namely, the Heyd-Scuseria-Ernzerhof (HSE) sc…
Structural, mechanical, thermodynamic, and electronic properties of thorium hydrides from first principles
Bao-Tian Wang, Ping Zhang, Hongzhou Song +3
We perform first-principles calculations of the structural, electronic, mechanical, and thermodynamic properties of thorium hydrides (ThH and ThH) based on the d…