Presentation Information
[B-158P]Band-Gap Formation Mechanism in Amorphous Alumina: Machine-Learning Potential and First-Principles Analysis
○Yuuma Muranaka1, Ishii Fumiyuki2 (1. Graduate School of Natural Science & Technology, Kanazawa University, 2. Nanomaterials Research Institute, Kanazawa University)
Keywords:
amorphous alumina,band gap,density functional theory,molecular dynamics,local structure