Abstract:The influence of biaxial-in-plan strain on optoelectronic and thermoelectric characteristics of AgXTe2 (X: Ga, In) chalcopyrite type compound has been investigated using density function theory base on full potential linear augmented plane wave technique. The generalized Perdew-Burke-Ernzerhof gradient approximation (PBEsol GGA) is used to optimize unit cell and the Tran-Blaha modified Becke-Johnson (TB-mBJ) approach is employed to improve the electronic, optical and thermoelectric properties. The effects of b… Show more
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