Vibrational density of states in silicon carbide nanoparticles : experiments and numerical simulations

Malgorzata Makowska-Janusik (1) , Abdelhadi Kassiba (1) , Johann Bouclé (1, 2) , Jean-François Bardeau (3) , S. Kodjikian (4) , A. Desert (1)

1 LPEC - Laboratoire de physique de l'état condensé
2 LFP - URA 2453 - Laboratoire Francis PERRIN
3 IMMM - Institut des Molécules et Matériaux du Mans
4 LdOF - Laboratoire des oxydes et fluorures

The vibrational properties of silicon carbide nanoparticles (np-SiC) were investigated as function of the nanocrystal size (5-25 nm) and the features of their outermost surfaces. Raman experiments and numerical methods were conjugated to characterize the signatures from the active SiC normal modes and the vibrational density of states (VDOS). The Raman spectra of the nanopowders were marked by VDOS signals which correlate with the SiC amorphous fractions favoured by the high specific surfaces of the nanoparticles and their surface reconstruction. Quantitative interpretation of the experimental VDOS features, IR absorption and Raman scattering properties in nanosized SiC were carried out by means of numerical methods developed on SiC clusters with suitable structures and sizes.

Domaines: Sciences de l'ingénieur [physics]; Micro et nanotechnologies/Microélectronique

Malgorzata Makowska-Janusik, Abdelhadi Kassiba, Johann Bouclé, Jean-François Bardeau, S. Kodjikian, et al.. Vibrational density of states in silicon carbide nanoparticles : experiments and numerical simulations. Journal of Physics: Condensed Matter, 2005, 17, pp.5101-5110. ⟨hal-00916050⟩