Presentation Information
[7p-P07-3]First-Principles Calculations for Dynamical Stability of Infinite-Layer Transition Metal Oxide Thin Films
〇Reo Kono1, Daiki Nakaoka1, Hirofumi Sakakibara1,2 (1.Faculty of Eng., Tottori Univ., 2.AMES, Tottori Univ.)
Keywords:
First-Principles Calculations
The prediction of functional materials based on theoretical calculations is important from both scientific and engineering perspectives. In this study, we focused on the incipient band structure, which is considered favorable for superconductivity, and explored new superconducting materials among transition metal oxides with infinite-layer structures. Specifically, we examined cobalt oxide LaCoO2 and copper oxide KCuO2 as potential candidates. Using first-principles calculations, we evaluated their structural stability and electronic states, and theoretically investigated the possibility of superconductivity in these materials.