[20p-A202-1~11] Interfacial Nano Electrochemistry: Deepening semiconductor wet processing

2:30 PM - 2:45 PM JST(5:30 AM - 5:45 AM UTC)

[20p-A202-5] Theoretical Analysis of Etching -First-Principles and Machine Learning Calculations-

〇Kohji Inagaki¹, Kenta Arima¹ (1.Osaka Univ.)

Keywords:

first-principles calculations,etching mechanism,machine learning potential

Elucidating etching mechanisms at the atomic level is essential in improving etching technologies. In recent years, research on molecular dynamics calculations using machine-learning potentials, in which the forces acting on atoms obtained by first-principles calculations are learned by machine learning, has been intensively studied. In this presentation, examples of analysis of etching elementary processes on GaN surfaces by conventional first-principles calculations and an attempt to analyze H surface diffusion processes on Si surfaces by machine learning potentials will be presented.