40 citations · 105 across the 4 of their papers we have counts for
12 papers
The occupation dependent DFT-1/2 method
Shengxin Yang, Jiangzhen Shi, Kan-Hao Xue +2
There has been a high demand in rectifying the band gap under-estimation problem in density functional theory (DFT), while keeping the computational load at the same level as local…
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…
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…
Ferroelectricity in from a chemical perspective
Jun-Hui Yuan, Ge-Qi Mao, Kan-Hao Xue +7
Ferroelectricity observed in thin film , either doped with Si, Al, etc. or in the form, has gained great technical significance. Howe…
: A narrow gap 2D semiconductor with vacancy-induced semiconductor-metal transition
Ping Tang, Jun-Hui Yuan, Ya-Qian Song +3
Searching for novel two-dimensional (2D) materials is highly desired in the field of nanoelectronics. We here propose a new 2D crystal barium tri-arsenide () with…