Presentation Information
[9p-PA2-19]Theoretical material design of bilayer nickelate superconductor based on high-Tc superconductors
〇(B)Shotaro Morimoto1, Kensei Ushio1, Kaoru Kurita1, Kazuhiko Kuroki2, Hirofumi Sakakibara1,3 (1.Fac. of Eng., Tottori Univ., 2.Dept. of Phys., Univ. of Osaka, 3.AMES, Tottori Univ.)
Keywords:
superconductor,nickelate,first-principles calculation
Exploring materials that exhibit a high superconducting transition temperature (Tc) under ambient pressure is crucial for practical applications. In this study, we focused on the characteristics of La3Ni2O7, which shows high-temperature superconductivity under high pressure, and mercury-based cuprates, which possess a large orbital energy difference. Using the bilayer cuprate HgBa2CaCu2O6 as a parent material, we designed novel bilayer materials with electronic states favorable for superconductivity by introducing interlayer oxygen and substituting with Ni. We evaluated Tc using first-principles calculations and the fluctuation exchange approximation, and will report the results.