[15a-E206-1~12] 9.4 Thermoelectric conversion

[15a-E206-9] First-principles study of optical properties in incommensurate TlInSe₂ and TlInS₂

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

Keywords:thermoelectric devices, Multinary Compounds, nanostructure

The ternary thallium compound of TlInSe<sub abp="581">2 shows the giant thermoelectric power in a low-temperature incommensurate phase below 410K, thus expected as a promising material for thermoelectric devices. TlInSe<sub abp="582">2 exhibit a low dimensional nanostructure is Tl atoms arranged in one dimension, the optical anisotropy is measured. Similarly, TlInS<sub abp="583">2 of Tl compounds exhibit a nano-structure that Tl is located in a two-dimensional, show the incommensurate phase at low temperatures. These material system, application to nano-devices and optical device materials also expected. In this work, we study electronic structures and optical properties of TlInSe<sub abp="584">2 and TlInS<sub abp="585">2 using the first-principles calculation and clarify the origins of their giant thermoelectric powers.<br abp="586" />