Encontrado 1 documento, a visualizar página 1 de 1

Phonon modes and raman scattering in SixGe1-x nanocrystals : microscopic modelling

Si1-xGex nanocrystals (NCs) of different composition and size were generated using the Molecular Dynamics (MD) method by minimizing NC’s total energy calculated using Tersoff’s empirical potential and applying rigid boundary conditions. The dynamical matrix of the relaxed NC was constructed and the NC phonon modes were calculated. The localisation of the principal (Si-Si, Si-Ge and Ge-Ge) modes is investigated ...