[10p-PA7-1~8] 9.5 New functional materials and new phenomena

[10p-PA7-2] First-principles study of doping properties in 2D nano system TlInS₂

〇Masato Ishikawa¹, Takashi Nakayama¹, Kazuki Wakita², YongGu Shim³, Nazim Mamedov⁴ (1.Chiba Univ, 2.Chiba Inst, 3.Osaka Pref Univ, 4.ANAS)

Keywords:First-principles calculation, Doping

TlInS₂ shows a two-dimensional layered structure and has the Incommensurate phase at low temperature. Further, the optical characteristics are changed by doping. Our research clarifies how doping changes electronic structure and optical properties using First-principles calculation.