64 citations · 64 across the 3 of their papers we have counts for
3 papers
The optical absorption spectra of V centers in deformed MgO under pressure
Jie Zhang, Xian Long Wang, Kai Shuai Yang +5
The electronic structure and optical absorption spectrum of V^{0} and V^{-} center in MgO are investigated using first-principles calculations based on density functional theory. I…
Hydrostatic pressure induced Dirac semimetal in black phosphorus
Peng-Lai Gong, Da-Yong Liu, Kai-Shuai Yan +4
Motivated by recent experimental observation of an hydrostatic pressure induced transition from semiconductor to semimetal in black phosphorus [Chen et al. in arXiv:1504.00125], we…
The stability of graphene based Möbius strip with vacancy at high temperature
Kaishuai Yang, Chuanguo Zhang, Xiaohong Zheng +2
By using the density functional theory (DFT) combined with the molecular dynamics (MD) simulations, structural and electronic properties of mono-vacancy (MV) defect in Möbius strip…