[19p-Z15-1~11] 6.4 Thin films and New materials

[19p-Z15-9] First-Principles Study and Sputtering Deposition of Ternary Zinc Nitride YZn₃N₃

〇Ryosuke Kikuchi^1,2, Toru Nakamura¹, Takahiro Kurabuchi¹, Yasushi Kaneko¹, Yu Kumagai², Fumiyasu Oba² (1.Panasonic, 2.Tokyo Tech)

Keywords:Nitride, First-principles calculation, Sputtering

Ternary zinc nitrides have received much attention because they can be composed of earth-abundant and non-toxic elements and have remarkable electronic properties. In this study, we investigate the stable crystal structure of YZn₃N₃, its fundamental electronic properties. Our calculations reveal that the ground-state crystal structure of YZn₃N₃ is a ScAl₃C₃-type structure and has a direct-type band structure with a band gap of 1.80 eV. We also demonstrate a thin film growth of our predicted ScAl₃C₃-type YZn₃N₃ by a co-sputtering method.