Using neural network potential to study point defect properties in multiple charge states of GaN with nitrogen vacancy

• Published in: arXiv.org
• Main Authors: Shimizu, Koji, Dou, Ying, Arguelles, Elvis F, Moriya, Takumi, Minamitani, Emi, Watanabe, Satoshi
• Format: Paper
• Language: English
• Published: Ithaca Cornell University Library, arXiv.org 31.03.2022
• Subjects: Density functional theory; Gallium nitrides; Ions; Mathematical analysis; Neural networks; Point defects; Vacancies; Zinc sulfide

Investigation of charged defects is necessary to understand the properties of semiconductors. While density functional theory calculations can accurately describe the relevant physical quantities, these calculations increase the computational loads substantially, which often limits the application o...