First-principles Calculations of Optoelectronic Properties of Sn1-xInxA (A= S and Se) for Solar Cell Applications

EasyChair Preprint 2748

Abstract

Influence the transition metals atom(s) on the optoelectronic features of the Sn_1-xIn_xA (A= S and Se) is explored theoretically. The electronic and optoelectronic features are explored within the DFT based FP-LAPW method. Additionally, PBE-GGA is applied for computing of their structural properties. The electronic and optical features are calculated using GGA. We have discovered that both the compounds are metallic.  We explore in details   atomic/orbital origin of electronic states in the band structure for the Se/S and Sn containing materials from the spectra of electronic density of states. The optical properties are evaluated following the spectra of optical function along with the other related optical properties like energy loss function, reflectivity, refractive index, extinction coefficient, and conductivity dispersion. The study of optical properties of the In based material confirms that these materials can be promising for the design of optoelectronic devices with the desired properties. 

Keyphrases: DFT, electronic structure, optoelectronic

@booklet{EasyChair:2748,
  author    = {Zeesham Abbas and Sabeen Munaf and Sikander Azam and Muhammad Abubakar and Muhammad Irfan},
  title     = {First-principles Calculations of Optoelectronic Properties of Sn1-xInxA (A= S and Se) for Solar Cell Applications},
  howpublished = {EasyChair Preprint 2748},
  year      = {EasyChair, 2020}}