Physical properties of ternary thallium chalcogenes Tl2MQ3 (M = Zr, Hf; Q = S, Se, Te) via ab-initio calculations

Physical properties of ternary thallium chalcogenes Tl₂MQ₃ (M = Zr, Hf; Q = S, Se, Te) via ab-initio calculations

Ateser Engin^{1, †}, Okvuran Oguzhan¹, Oztekin Ciftci Yasemin², Ozisik Haci¹, Deligoz Engin¹

The calculated (a) Seebeck coefficient, (b) electrical conductivity (in units of relaxation time τ) (c) thermal conductivity (in units of relaxation time τ), and (d) figure of merit ( ZT ) el as a function of temperature for Tl₂MQ₃ (M=Hf, Zr; Q = S, Se, Te).