The Spectral Properties of (SiO2)n, (GaN)m, (GaAs)m, (SiO2)n(GaN)m, and (SiO2)n(GaAs)m Nanoparticles: Computer Experiment
Springer International Publishing Switzerland 2016 M. Aliofkhazraei (ed.), Handbook of Nanoparticles
Alexander Y. Galashev
Abstract - The J(ω) Raman spectra of the (GaN)129, (SiO2)86, and (GaN)54 (SiO2)50 nanoparticles as well as the optical properties of silicon dioxide and gallium arsenide nanoparticles and the fourcomponent particles based on them were calculated using the molecular dynamics method. The spectrum of (SiO2)86 had three broad bands only, whereas the Raman spectrum of (GaN)129 contained a large number of overlapping bands. The shape of Raman spectra for fourcomponent particles depends strongly on the way the GaN-, GaAs-, and SiO2- components are located in the nanoparticle. Increasing the temperature (from 300 K up to 1,500 K) of nanoparticles causes a significant rise in the intensity of the anti-Stokes part of the Raman spectrum. Heating the nanoparticles to 1,500 K does not lead to the shift of J(ω)-spectrum peaks for the (GaAs)54 (SiO2)50 nanoparticle with SiO2- coating. The refractive index and absorption coefficient as well as the number of optically active electrons depend weakly on the arrangement of the conductor (GaAs) and isolator (SiO2) in the nanoparticle.