345 citations · 5.8k across the 97 of their papers we have counts for
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Electronic Structure of Bilayer Graphene: A Real-space Green's Function Study
Z. F. Wang, Qunxiang Li, Haibin Su +5
In this paper, a real-space analytical expression for the free Green's function (propagator) of bilayer graphene is derived based on the effective-mass approximation. Green's funct…
Electronic and magnetic properties of V-doped anatase TiO from first principles
Xiaosong Du, Qunxiang Li, Haibin Su +1
We report a first-principles study on the geometric, electronic and magnetic properties of V-doped anatase TiO. The DFT+U (Hubbard coefficient) approach predicts semiconducto…
Graphene switch design: an illustration of the Klein paradox
Q. W. Shi, Z. F. Wang, Jie Chen +5
An armchair graphene ribbon switch has been designed based on the principle of the Klein paradox. The resulting switch displays an excellent on-off ratio performance. Anomalous tun…
Linear scaling calculation of band edge states and doped semiconductors
H. J. Xiang, Jinlong Yang, J. G. Hou +1
Linear scaling methods provide total energy, but no energy levels and canonical wavefuctions. From the density matrix computed through the density matrix purification methods, we p…
Linear scaling calculation of maximally-localized Wannier functions with atomic basis set
H. J. Xiang, Zhenyu Li, W. Z. Liang +3
We have developed a linear scaling algorithm for calculating maximally-localized Wannier functions (MLWFs) using atomic orbital basis. An O(N) ground state calculation is carried o…