Structural, electronic and dynamical properties of GeSi: An Ab-initio study
6th International Conference of the Balkan-Physical-Union, İstanbul, Türkiye, 22 - 26 Ağustos 2006, cilt.899, ss.655, (Tam Metin Bildiri)
- 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.