Electronic and optical properties of CdIn₂Te₄:DFT TB-mBJ approach

The present paper deals with the detailed investigation of electronic and optical properties of CdIn₂TeC₄ compound. All the computations are performed over here using one of the most accurate full potential linearized augmented plane wave (FP-LAPW) method as embodied in Wien2k code. For the investigation of opto-electronic properties of CdIn₂Te₄, we have used most preferred modified Becke-Johnson (mBJ) potential within the framework of density functional theory. The computations of energy bands reveals the direct band gap of 1.74eV for CdIn₂Te₄. Resulted energy bands are explained in terms of total and atom specific density of states. To predict complete optical response, the real and imaginary components of dielectric tensor ε(ω), absorption spectra α(ω), reflectivity R(ω) and refraction η(ω) are also explained to demonstrate the utilization of CdIn₂Te₄ in opto-electronic applications. Different peaks in imaginary component of ε(ω) are interpreted in terms of inter-band transitions in between valence bands and conduction bands. Significant intensity of absorption spectra in visible range (3-5eV) proves CdIn₂Te₄ as a potential candidate for solar cells and other optoelectronic devices. (author)