Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

[1D6-01] Layer thickness determination of rock salt-type surface models and stability prediction of lattice oxygen defects using Linear Response Function

Oral A

○MARUYAMA, Tomohiro; OHNARI, Jinta; TADA, Kohei; KAWAKAMI, Takasi; YAMANAKA, Shusuke; OKUMURA, Mitsutaka (Grad. Sch. Sci., Osaka Univ.; RIECEN, AIST)

PC Setting Time : 08:50 - 09:00

Keywords:線形応答関数、スラブモデル