29 citations · 42 across the 3 of their papers we have counts for
5 papers
Strain-induced large band-gap topological insulator in a new stable silicon allotrope: dumbbell silicene
Tian Zhang, Yan Cheng, Xiang-Rong Chen +1
By the generalized gradient approximation in framewok of density functional theory, we investigate a 2D topological insulator of new silicon allotrope (call dumbbell silicene synth…
Novel high pressure structures and superconductivity of niobium disulfide
Zhong-Li Liu, Ling-Cang Cai, Xiu-Lu Zhang
We have investigated the pressure-induced phase transition and superconducting properties of niobium disulfide (NbS) based on the density functional theory. The structures of N…
Predicted alternative structure for tantalum metal under high pressure and high temperature
Zhong-Li Liu, Ling-Cang Cai, Xiu-Lu Zhang +1
First-principles simulations have been performed to investigate the phase stability of tantalum metal under high pressure and high temperature (HPHT). We searched its low-energy st…
Sound velocity measurements of tantalum under shock compression in the 10-110 GPa range
Jianbo Hu, Chengda Dai, Yuying Yu +6
The high-pressure melting curve of tantalum (Ta) has been the center of a long-standing controversy. Sound velocities along the Hugoniot curve are expected to help in understanding…
Implementation of LDA+DMFT with pseudo-potential-plane-wave method
Jian-Zhou Zhao, Jia-Ning Zhuang, Xiao-Yu Deng +4
In this paper, we propose an efficient implementation of combining Dynamical Mean field theory (DMFT) with electronic structure calculation based on the local density approximation…