124 citations · 534 across the 14 of their papers we have counts for
14 papers
Impact of Zr substitution on the electronic structure of ferroelectric hafnia
Jinhai Huang, Ge-Qi Mao, Kan-Hao Xue +4
-based dielectrics are promising for nanoscale ferroelectric applications, and the most favorable material within the family is Zr-substituted hafnia, i.e., $\mathr…
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…
Isolating hydrogen in hexagonal boron nitride bubbles by a plasma treatment
Li He, Huishan Wang, Lingxiu Chen +16
Atomically thin hexagonal boron nitride (h-BN) is often regarded as an elastic film that is impermeable to gases. The high stabilities in thermal and chemical properties allow h-BN…
Pressure-Induced Structural Phase Transition and a Special Amorphization Phase of Two-Dimensional Ferromagnetic Semiconductor Cr2Ge2Te6
Zhenhai Yu, Wei Xia, Kailang Xu +9
Layered transition-metal trichalcogenides have become one of the research frontiers as two-dimensional magnets and candidate materials used for phase-change memory devices. Herein…