[19a-PB2-1~39] 11 Superconductivity (Poster)

[19a-PB2-11] C parameter elongation by water molecule intercalation in Sr₂CaCu₂O_y using MOPAC simulation

〇(M2)Kensho Kawai¹, Hisayuki Suematsu¹, Akira Fujimoto², Thi-Mai-Dung Do¹, Tadachika Nakayama¹, Koichi Niihara¹ (1.Nagaoka Univ. Tech., 2.NIT, Numazu Collge)

Keywords:superconductor, intercalation, MOPAC

The copper oxide superconductor Sr₂CaCu₂O_y intercalates water to form a derivative phase. The c parameter elongates when the derived phase is formed. And the critical current density characteristic and the irreversible magnetic field characteristic are improved. However, because the analysis of hydrogen is difficult, the adsorption position of water molecules has not been clarified. Therefore, the adsorption position of water molecules is identified by using simulation by MOPAC. In order to confirm whether the elongation of c parameter changes with the number of water molecules, calculations were carried out for multiple water molecules. From the results, it is considered that the elongation of the c parameter increases as the number of water molecules increases. The reason of the elongation is primarily due to the repulsive force between Sr – H atoms.