Ab-initio study of electronic structure of ScAuSn

Ugur Ş., UĞUR G., Soyalp F.

6th International Conference of the Balkan-Physical-Union, İstanbul, Turkey, 22 - 26 August 2006, vol.899, pp.667 identifier identifier

  • Publication Type: Conference Paper / Full Text
  • Volume: 899
  • Doi Number: 10.1063/1.2733408
  • City: İstanbul
  • Country: Turkey
  • Page Numbers: pp.667
  • Gazi University Affiliated: Yes

Abstract

The structural and electronic properties of ScAuSn in the space group F(4) over bar 3m have been studied, using density functional theory within the generalized gradient approximation. The lattice constant of this material is found to be 6.50 angstrom, which compares very well with the experimental value of 6.56 angstrom. We have also carried out band structure and density of states calculations for ScAuSn.