Study of Optoelectronic and Thermoelectric Characteristics of Cesium Based Halides CsYbX3 (X = Br, Cl) for Clean Energy Harvesting

The optoelectronic and transport characteristics of CsYbX3 (X = Br, Cl) are computed for clean energy harvesting. The structural stability has been anticipated by Goldsmith tolerance factor and thermodynamic stability by formation energy. The band gaps 1.66 eV and 1.44 eV for CsYbCl3 and CsYbBr3 are observed in visible energy region, which show their significance for optoelectronic and solar cells. The dielectric constant reveals the polarization of light while absorption coefficient and imaginary dielectric constant ensure maximum absorption in the visible region. Refractive index appears in the range of 1 to 2 and minimum reflectivity also builds their significance for optical applications. The transport properties are elucidated by electrical and thermal conductivities, Seebeck coefficient and figure of merit (ZT). The high value of ZT makes them equally important for thermoelectric devices. (c) 2021 The Electrochemical Society (ECS). Published on behalf of ECS by IOP Publishing Limited.

Automated summary

The optoelectronic and transport characteristics of CsYbX3 (X = Br, Cl) make them suitable for clean energy harvesting, with significant band gaps for visible energy region. Their dielectric constant, absorption coefficient, and refractive index show their importance for optical applications. Transport properties, including electrical and thermal conductivities, Seebeck coefficient, and figure of merit (ZT), make them equally important for thermoelectric devices.