@misc{shungo2025a, title = {Charge States of Ions around Σ5(310)/[001] Grain Boundary in Cubic-ZrO<sub>2</sub> Revealed by First-principles Calculations}, author = {Shungo Arai, Koji Shimizu, Anh Khoa Augustin Lu, Hiroshi Masuda, Hidehiro Yoshida, Satoshi Watanabe}, publisher = {Surface Science Society Japan}, year = {2025-08-23}, keywords = {Born effective charges, First-principles calculations, Grain Boundary} }