[8p-N404-1~16] 11.1 Fundamental properties

2:00 PM - 2:15 PM JST(5:00 AM - 5:15 AM UTC)Presentation by Applicant for JSAP Young Scientists Presentation Award

[8p-N404-3] Theoretical Analysis of Ambient Pressure Superconductivity in Thin Film La₃Ni₂O₇ Based on First-Principles Calculations

〇Kensei Ushio¹, Shu Kamiyama², Yuto Hoshi¹, Ryota Mizuno², Masayuki Ochi², Kazuhiko Kuroki², Hirohumi Sakakibara^1,3 (1.Fac. of Eng., Tottori Univ., 2.School of Sci., Osaka Univ., 3.AMES, Tottori Univ.)

Keywords:

superconductivity,condensed matter physics

We theoretically investigated the recently discovered superconductivity thin film La₃Ni₂O₇ under ambient pressure. Using first-principles calculations, we determined the crystal structures depending on the substrate, and carried out a combined analysis of first-principles band structure and many-body model calculations. Our results reveal a strong correlation between the electron occupancy of the d_3z²-r² orbital and the superconducting transition temperature (Tc). The obtained gap function is the s±-wave superconductivity. In the presentation, we will also discuss the effects of the differences between the experimentally observed and theoretically optimized crystal structures. In addition, a comparison of the calculated Fermi surfaces with ARPES measurements will be shown.