542 citations · 3.8k across the 84 of their papers we have counts for
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Gas Doping on the Topological Insulator Bi2Se3 Surface
Mohammad Koleini, Thomas Frauenheim, Binghai Yan
Gas molecule doping on the topological insulator Bi2 Se3 surface with existing Se vacancies is investigated using first-principles calculations. Consistent with experiments, NO2 an…
An efficient method for quantum transport simulations in the time domain
Y. Wang, C. -Y. Yam, G. H. Chen +2
An approximate method based on adiabatic time dependent density functional theory (TDDFT) is presented, that allows for the description of the electron dynamics in nanoscale juncti…
Time-dependent versus static quantum transport simulations beyond linear response
ChiYung Yam, Xiao Zheng, GuanHua Chen +3
To explore whether the density-functional theory non-equilibrium Green's function formalism (DFT-NEGF) provides a rigorous framework for quantum transport, we carried out time-depe…