Hybrid DFT calculations of the band structure of alpha-Sn

ORAL

Abstract

The electronic properties of bulk alpha-tin were revisited using first principles. The band structure, in addition to other properties, such as the absorption spectrum and density of states, were calculated using Density Functional Theory and the HSE06 hybrid functional. The direct and indirect band gaps obtained from these calculations are in better agreement with experimental results than previously reported calculations.

Authors

  • Erin Dupay

    Wilkes Univ

  • Lucas Domulevicz

    Wilkes Univ

  • Henry Castejon

    Wilkes Univ

  • Amjad Nazzal

    Wilkes Univ