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Machine-learning-guided molecular dynamics simulations of point defect evolution in beta-Ga2O3 during ion implantation and annealing
Huawen Li, Mengzhi Yan, Zongwei Xu +2
In beta-gallium oxide (beta-Ga2O3), Ga-ion implantation and annealing induce abundant point defects. To overcome conventional Wigner-Seitz (WS) defect analysis limitations, a defec…
A General-Purpose and Efficient Machine-Learned Potential for SiC from Ambient to Extreme Environments
Jintong Wu, Zhuang Shao, Junlei Zhao +5
Silicon carbide (SiC) polymorphs are widely employed as nuclear materials, mechanical components, and wide-bandgap semiconductors. The rapid advancement of SiC-based applications h…
Ultrahigh Stability of O-Sublattice in -GaO
Ru He, Junlei Zhao, Jesper Byggmästar +2
Recently reported remarkably high radiation tolerance of /-GaO double-polymorphic structure brings this ultrawide bandgap semiconductor to the frontiers of power elec…
Threshold displacement energy map of Frenkel pair generation in from machine-learning-driven molecular dynamics simulations
Huan He, Junlei Zhao, Jesper Byggmästar +4
phase gallium oxide (-) demonstrates tremendous potential for electronics applications and offers promising prospects for integration into future space systems…
Generalized Algorithm for Recognition of Complex Point Defects in Large-Scale β-
Mengzhi Yan, Junlei Zhao, Flyura Djurabekova +1
The electrical and optical properties of semiconductor materials are profoundly influenced by the atomic configurations and concentrations of intrinsic defects. This influence is p…
Universal radiation tolerant semiconductor
Alexander Azarov, Javier García Fernández, Junlei Zhao +10
Radiation tolerance is determined as the ability of crystalline materials to withstand the accumulation of the radiation induced disorder. Nevertheless, for sufficiently high fluen…