37 citations · 81 across the 7 of their papers we have counts for
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cond-mat.mtrl-sci2022★ 11 cited
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…
cond-mat.mtrl-sci2022★ 37 cited
Designing wake-up free ferroelectric capacitors based on the superlattice structure
Na Bai, Kan-Hao Xue, Jinhai Huang +8
The wake-up phenomenon widely exists in hafnia-based ferroelectric capacitors, which causes device parameter variation over time. Crystallization at higher temperatures have been r…
cond-mat.mtrl-sci2022★ 17 cited
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…