19 citations · 45 across the 6 of their papers we have counts for
6 papers
The underestimation of high pressure in DFT+ simulation for the wide range cold-pressure of lanthanide metals
Yue-Chao Wang, Bei-Lei Liu, Yu Liu +7
Density functional theory plus (DFT+) is one of the most efficient first-principles methods to simulate the cold pressure properties of strongly-correlated materials. Howeve…
A first principles study of high pressure phase diagram of bismuth at 0 ~14 GPa based on structure search and quasi-harmonic approximation
Ya-Fan Zhao, Shou-Rui Li, Xing-Yu Gao +2
We have performed first principles study for bismuth crystal structure at pressure from 0~14 GPa based on structure search and quasi-harmonic approximation. A new stable phase with…
Improved Fluid Perturbation Theory: Equation of state for Fluid Xenon
Qiong Li, Hai-Feng Liu, Gong-Mu Zhang +3
The traditional fluid perturbation theory is improved by taking electronic excitations and ionizations into account, in the framework of average ion spheres. It is applied to calcu…
The Thermodynamical Instability Induced by Pressure Ionization in Fluid Helium
Qiong Li, Hai-Feng Liu, Gong-Mu Zhang +4
A systematic study of pressure ionization is carried out in the chemical picture by the example of fluid helium. By comparing the variants of the chemical model, it is demonstrated…
Thermodynamics of the - transition in cerium studied by an LDA + Gutzwiller method
Ming-Feng Tian, Hai-Feng Song, Hai-Feng Liu +3
The - transition in cerium has been studied in both zero and finite temperature by Gutzwiller density functional theory. We find that the first order transition between a…
Intermediate-pressure phases of cerium studied by an LDA + Gutzwiller method
Ming-Feng Tian, Xiaoyu Deng, Zhong Fang +1
The thermodynamic stable phase of cerium metal in the intermediate pressure regime (5.0--13.0 GPa) is studied in detail by the newly developed local-density approximation (LDA)+ Gu…