Study of optoelectronic and thermoelectric spectra of Tl(Nd/Gd)S 2

摘要: Present research work is devoted to the study of optoelectronic spectra and thermoelectric properties thallium-based neodymium gadolinium sulphides (viz. TlNdS2 TlGdS2) using FP-LAWP method within DFT semi-classical Boltzmann theory. Band structure calculations show that both compounds are indirect bandgap semiconductors with wide bandgap ~ 1.61 eV for 1.47 eV TlGdS2 under TB-mBJ approximation. The appearance most prominent peak real dielectric constant at photon energy, E ~ 5.0 eV and ~ 4.0 eV respectively in ultraviolet UV regime, indicates high optical response materials towards polarization (UV) radiation. refractive index at ~ 5.0 eV indicate act as optically denser medium they more absorbent light. Refractive data satisfy Penn formula part function legalizes our calculations. maximum value reflection coefficient (~ 45–60%) has been found regime observed threshold energies are ~ 1.61 eV TlGdS2, respectively. (TE) p-type semiconductor figure merit (ZT) ≥ 1 prove excellent candidates devices. Also, have power factor (PF = 6 × 1011 1.1 × 1012 temperature (900 K) confirms these can be used higher temperatures applications.