1 publication

• Published Open access Original Research Special issue 25 Aug 2023

  Structural, Electronic and Optical Properties of ZnO Material Using First Principle Calculation

  By Jaiveer Singh

  Abstract: Structural, electronic and optical properties have been determined by using first principle calculation for ZnO material. In present study, full potential linearized augmented plane wave method has been selected with generalised gradient approximation executed in WIEN2k. Structure of ZnO material stabilises in the Wurtzite form of hexagonal closed packed crystal with lattice constant a=3.289Å, c= 5.307Å. Density of states and band structure diagram of ZnO material shows semiconductor nature with …

  Published in Journal of Polymer & Composites · Vol. 11, Issue 5, 2023 · pp. 27–34 Read article →