124 citations · 534 across the 14 of their papers we have counts for
3 papers · 1 filter
On the self-consistency of DFT-1/2
Hanli Cui, Shengxin Yang, Kan-Hao Xue +2
DFT-1/2 is an efficient band gap rectification method for density functional theory (DFT) under local density approximation (LDA) or generalized gradient approximation. It was sugg…
Hafnia for analog memristor: Influence of stoichiometry and crystalline structure
Li-Heng Li, Kan-Hao Xue, Jun-Hui Yuan +2
The highly non-linear switching behavior of hafnia memristor actually hinders its wide application in neuromorphic computing. Theoretical understanding into its switching mechanism…
Shell DFT-1/2 method towards engineering accuracy for semiconductors: GGA versus LDA
Hanli Cui, Shengxin Yang, Jun-Hui Yuan +5
The Kohn-Sham gaps of density functional theory (DFT) obtained in terms of local density approximation (LDA) or generalized gradient approximation (GGA) cannot be directly linked t…