52 citations · 105 across the 9 of their papers we have counts for
4 papers · 1 filter
High-performance linear-scaling electronic structure method via chromatic superposition states
Zhikang Jiang, Zhizhi Xiao, Mingfa Tang +4
We introduce a high-performance linear-scaling electronic structure method that employs chromatic superposition states (CSS) as a low-dimensional, high-fidelity representation, whi…
Implementation of full-potential screened spherical wave based muffin-tin orbital for all-electron density functional theory
Aixia Zhang, Qingyun Zhang, Zhiyi Chen +2
Screened spherical wave (SSW) of the Hankel function features the complete, minimal and short-ranged basis set, presenting a compact representation for electronic systems. In this…
Tunable Giant Rashba-type Spin Splitting in PtSe/MoSe Heterostructure
Longjun Xiang, Youqi Ke, Qingyun Zhang
We report a giant Rashba-type spin splitting in two-dimensional heterostructure PtSe/MoSe with first-principles calculations. We obtain a large value of spin splitting ener…
Nonlinear bias dependence of spin-transfer torque from atomic first principles
Xingtao Jia, Ke Xia, Youqi Ke +1
We report first-principles analysis on the bias dependence of spin-transfer torque (STT) in Fe/MgO/Fe magnetic tunnel junctions. The in-plane STT changes from linear to nonlinear d…