[9a-A31-1~13] 11.1 Fundamental properties

10:15 AM - 10:30 AM JST(1:15 AM - 1:30 AM UTC)Presentation by Applicant for JSAP Young Scientists Presentation Award

[9a-A31-6] Theoretical Study of Cuprate Superconductivity Reducible to the Bilayer Hubbard
Model

〇(DC)Kensei Ushio¹, Shu Kamiyama², Kazuhiko Kuroki², Hirofumi Sakakibara^1,3 (1.Fac. of Eng., 2.Dept. of Phys., Univ. of Osaka, 3.AMES, Tottori Univ)

Keywords:

superconductivity,first-principles calculation,Bilayer Hubbard model

In recent years, the Nickelate La3Ni2O7 has been discovered as a new high-temperature superconductivity under high pressure. Its superconducting transition temperature is approximately 100 K, and it is believed to be reducible to a Bilayer Hubbard model. To apply this material in practical applications, it was necessary to reduce the required pressure to ambient conditions. Sr3Ni2O5Cl2 was theoretically proposed as a material meeting this condition, but experimental results failed to confirm a superconducting transition. Since the possibility that the absence of superconductivity stems from properties specific to Nickelate systems cannot be ruled out, it is meaningful to investigate the possibility of crystal structures based on other metals. Therefore, in this study, we analyzed Sr3Cu2O5Cl2, in which the transition metal nickel in Sr3Ni2O5Cl2 was substituted with copper. Although the total number of electrons in the d orbitals changes due to the substitution with copper, we predicted that the increased electrons would preferentially occupy the dx2-y2 orbitals, leaving the number of electrons in the d3z2-r2 orbitals unchanged, thereby enhancing superconductivity.