[10a-PA5-1~29] 11 Superconductivity (Poster)

[10a-PA5-11] Simulation of water molecule intercalation in Sr₂CaCu₂O_y by MOPAC

〇Kensho Kawai¹, Hisayuki Suematsu¹, Akira Fujimoto², Tadachika Nakayama¹, Kouichi Niihara¹ (1.NUT, 2.NNCT)

Keywords:superconductor, intercalation, MOPAC

Sr₂CaCu₂O₆ which is a cuprate superconductor and forms a derivative phase by intercalating water between SrO layers. It has been reported that when a derivative phase is formed, the critical current density (J_c) and the irreversible magnetic field (H_irr) characteristic are improved. However, the formation mechanism of the derived phase has not been elucidated. Determination of water molecule adsorption position is important for elucidation of the mechanism of formation of derivative phases. Therefore, simulation analysis are carried out using MOPAC which is a semiempirical molecular orbital method program package, and molecular adsorption region is determined.