The One Phonon Raman Spectrum of Silicon Nanostructures

Porous silicon is a structurally complex material, in which effects of the pore topology on its physical properties are even controversial. We use the Born potential and the Green's function, both applied to a supercell model, in order to analyze the Raman response and the phonon band structure of porous silicon. In this model, the pores are simulated by empty columns of atoms, in direction [001], produced in a crystalline silicon structure. An advantage of this model is the interconnection between silicon nanocrystals, then, all the states are extended. The results show that the Raman spectra are sensitive to the pore topology. Moreover, a shift of the main Raman peak towards lower frequencies is found, in agreement with experimental data