[1Cp01-13] SS3

[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.