2021
DOI: 10.26565/2312-4334-2021-1-09
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Structure and Properties of ZnSnP2 With the Application in Photovoltaic Devices by Using CdS and ZnTe Buffer Layers

Abstract: Ab initio calculations have been performed by the linearized augmented plane wave (LAPW) method as implemented in the WIEN2K code within the density functional theory to obtain the structural, electronic and optical properties of ZnSnP2 in the body centered tetragonal (BCT) phase. The six elastic constants (C11, C12, C13, C33, C44 and C66) and mechanical parameters have been presented and compared with the available experimental data. The thermodynamic calculations within the quasi-harmonic approximation is us… Show more

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