Abstract
We have investigated the physical properties of Zn/CdSnO3 in various phases to optimize their performance for optoelectronic and other energy devices. The formation energies and tolerance factors are reported in cubic, orthorhombic, and trigonal phases to ratify the most stable phase. The band gaps in orthorhombic (2.70 eV, 2.47 eV) and trigonal (3.5 eV, 3.10 eV) phases are direct. In the cubic phase, they possess direct band gaps (2.08 eV, 2.4 eV). The cubic phase mechanical, optical, and thermoelectric properties are elaborated because of the high stability of the cubic phase. The passion and Pugh's ratios show ductile behavior while Debye's temperature shows large heat capacity. The optical dielectric constants and absorption coefficients demonstrate the polarization and absorption of light in the ultraviolet region. The electrical conductivity is found to be significant as compared to thermal conductivity, which is according to Wiedemann-Franz law. The figure of merits at room temperature for ZnSnO3 and CdSnO3 are 0.58 and 0.50, respectively.