JVSS 2021
Nov 3 - Nov 5, 2021Online
JVSS 2021
Nov 3 - Nov 5, 2021Online
[1Cp10R]Analyses of defects behavior near the interfaces of Au/Li3PO4 using neural network potential
*Koji Shimizu1, Yasunobu Ando2, Emi Minamitani3, Satoshi Watanabe1(1. The University of Tokyo, 2. National Institute of Advanced Industrial Science and Technology, 3. Institute for Molecular Science)
Analyses of interface structures between electrodes and solid electrolytes as well as Li-ion distribution at the interfaces are significant to understand the operation mechanism of novel memory devices using the Au/Li3PO4/Li stacked structures. In this study, we constructed an interatomic potential of Au/Li3PO4 interface systems using a neural network, based on density functional theory calculations. We will report the results of Li-defect behavior near the interface obtained by the constructed potential.