Presentation Information

[8p-N404-5]Theoretical investigation on the structural stability of T’ single-layer nickel oxide and the possibility of superconductivity

〇(M2)Daiki Nakaoka1, Yuto Hoshi1, Kaoru Kurita1, Kazuhiko Kuroki2, Hirofumi Sakakibara1,3 (1.Faculty of Eng., Tottori Univ., 2.Dept. of Phys., Osaka Univ., 3.AMES, Tottori Univ.)

Keywords:

superconductivity,first-principles calculation

Stimulated by the recent discovery of bilayer nickelate high-Tc superconductor, we have (re-)started investigating the possibility of superconductivity in the single layer nickelate. However, T-structure (K2NiF4-type) La2NiO4 does not exhibit superconductivity. In stead of this material, we have investigated T’ phase of the same chemical formula to explore the possibility of superconductivity employing first-principles calculation. As the other procedures, we have evaluated the enegitical and the dynamical stability of the crystal structure of target compounds.