40 citations · 115 across the 11 of their papers we have counts for
13 papers
Nitrogen vacancy cluster-mediated ferroelectric domain growth in wurtzite AlN
Zijian Zhou, Kan-Hao Xue, Ziqi Pang +9
Aluminum nitride-based ferroelectrics combine high remanent polarization, thermal stability, weak size effects, a wide bandgap and back-end process compatibility, making them promi…
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…
Acceleration of shell DFT-1/2 in high-throughput calculations via cutoff radii prediction
Shanzhong Xie, Kan-Hao Xue, Zijian Zhou +1
Shell DFT-1/2 is a fast band gap rectification method that is versatile for semiconductor supercell and superlattice calculations, which involves two cutoff radii that have to be o…
High-efficiency computational methodologies for electronic properties and structural characterization of Ge-Sb-Te based phase change materials
Shanzhong Xie, Kan-Hao Xue, Shaojie Yuan +5
Theoretical simulation to phase change materials such as Ge-Sb-Te has suffered from two methodology issues. On the one hand, there is a lack of efficient band gap correction method…
On the material genome of wurtzite ferroelectrics
Zijian Zhou, Kan-Hao Xue, Jinhai Huang +5
As the dielectric film thickness shrinks to ~10 nm, some traditional wurtzite piezoelectric materials demonstrate ferroelectricity through element doping. Among them, Sc doped AlN…
Structure evolution path of ferroelectric hafnium zirconium oxide nanocrystals under in-situ biasing
Yunzhe Zheng, Heng Yu, Tianjiao Xin +8
Fluorite-type -based ferroelectric (FE) oxides have rekindled interest in FE memories due to their compatibility with silicon processing and potential for high-dens…
Phase transitions in typical fluorite-type ferroelectrics
Heng Yu, Kan-Hao Xue, Nan Feng +4
While ferroelectric hafnia () has become a technically important material for microelectronics, the physical origin of its ferroelectricity remains poorly understoo…
Landauer-QFLPS model for mixed Schottky-Ohmic contact two-dimensional transistors
Zhao-Yi Yan, Zhan Hou, Kan-Hao Xue +16
Two-dimensional material-based field effect transistors (2DM-FETs) are playing a revolutionary role in electronic devices. However, after years of development, no device model can…
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…
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…
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…