On the electronic properties of some metals using density-functional theory

  • Abstract
  • Keywords
  • References
  • PDF
  • Abstract

    The use of density functional theory as a viable tool for investigating the electronic structure of both periodic and disordered system at ground state has been emphasized. In this study, we employ local density approximation and plane wave formalism via Quantum ESPRESSO, the selected metals was observed to exhibit degenerate but overlap bands except Copper and Silver whose inner d state function transits its broader s state. The study shows the efficacy of density functional theory as a promising tool for explaining electronic properties of metal.




Article ID: 714
DOI: 10.14419/ijpr.v1i1.714

Copyright © 2012-2015 Science Publishing Corporation Inc. All rights reserved.