Structural, electronic and dynamical properties of GeSi: An Ab-initio study

Soyalp F., Ugur Ş., UĞUR G.

6th International Conference of the Balkan-Physical-Union, İstanbul, Turkey, 22 - 26 August 2006, vol.899, pp.655 identifier identifier

  • Publication Type: Conference Paper / Full Text
  • Volume: 899
  • Doi Number: 10.1063/1.2733396
  • City: İstanbul
  • Country: Turkey
  • Page Numbers: pp.655
  • Gazi University Affiliated: Yes

Abstract

A theoretical study of electronic and dynamical properties of GeSi is presented using the ab-initio pseudopotential method and a linear response scheme, within the local density approximation. The calculated values for the lattice constant, bulk modulus and its first derivative are in agreement with the previous ab-initio calculations. Phonon dispersion curves were calculated by employing a density functional perturbation theory.