29 citations · 63 across the 5 of their papers we have counts for
5 papers
Adaptive Finite Differencing in High Accuracy Electronic Structure Calculations
E. L. Briggs, Wenchang Lu, J. Bernholc
A new method for implementing the kinetic energy operator for real-space, grid-based electronic structure codes is developed. It is based on multi-order Adaptive Finite Differencin…
Local manifestations of thickness dependent topology and axion edge state in topological magnet MnBiTe
Felix Lüpke, Anh D. Pham, Yi-Fan Zhao +9
The interplay of non-trivial band topology and magnetism gives rise to a series of exotic quantum phenomena, such as the emergent quantum anomalous Hall (QAH) effect and topologica…
Study of anharmonicity in Zirconium Hydrides using inelastic neutron scattering and ab-initio computer modeling
Jiayong Zhang, Yongqiang Cheng, Alexander I. Kolesnikov +3
The anharmonic phenomena in Zirconium Hydrides and Deuterides, including ε-ZrH2, γ-ZrH, and γ-ZrD, have been investigated from aspects of inelastic neutron scattering (INS) and lat…
Design of Atomically Precise Nanoscale Negative Differential Resistance Devices
Zhongcan Xiao, Chuanxu Ma, Jingsong Huang +6
Down-scaling device dimensions to the nanometer range raises significant challenges to traditional device design, due to potential current leakage across nanoscale dimensions and t…
Ab initio simulations of H2 in Li-doped carbon nanotube systems
Abdenour Sabir, Wenchang Lu, Christopher Roland +1
Because of their unique structure, it has been proposed that carbon nanotube ropes may well provide an ideal container for the storage of molecular hydrogen. Indeed, there has been…