Computer study of the Raman spectra and infrared optical properties of gallium nitride and gallium arsenic nanoparticles with SiO2 core and shell

The J(omega) Raman spectra of the , , and nanoparticles as well as the optical properties of silicon dioxide and gallium arsenide nanoparticles and the four-component particles based on them were calculated using the molecular dynamics method. The spectrum of had three broad bands only, whereas the Raman spectrum of contained a large number of overlapping bands. The shape of Raman spectra for four-component particles depends strongly on the way the -, -, and -components are located in the nanoparticle. Increasing the temperature (from 300 K upto 1500 K) of nanoparticles causes a significant rise in the intensity of the Raman spectrum. Thus, the odd J(omega)-spectrum peaks for the nanoparticle with the -core shift in opposite directions, but this heating does not lead to the shift of J(omega)-spectrum peaks for the nanoparticle with -coating. The refractive index and absorption coefficient as well as the number of optically active electrons depend weakly on the arrangement of the conductor () and isolator () in the nanoparticle.