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, Türkiye, 22 - 26 Ağustos 2006, cilt.899, ss.655 identifier identifier

  • Yayın Türü: Bildiri / Tam Metin Bildiri
  • Cilt numarası: 899
  • Doi Numarası: 10.1063/1.2733396
  • Basıldığı Şehir: İstanbul
  • Basıldığı Ülke: Türkiye
  • Sayfa Sayıları: ss.655
  • Gazi Üniversitesi Adresli: Evet

Özet

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.