Novel approach to Raman spectra of nanoparticles
arXiv:1803.01653 · doi:10.1021/acs.jpcc.8b05415
Abstract
In crystalline nanoparticles the Raman peak is downshifted with respect to the bulk material and has asymmetric broadening. These effects are straightly related to the finite size of nanoparticles, giving the perspective to use the Raman spectroscopy as the size probe. By combining the dynamical matrix method (DMM) and the bond polarization model (BPM), we develop a new (DMM-BPM) approach to the description of Raman spectra for random arrays of nanoparticles. The numerical variant of this approach is suitable for the description of small particles, whereas its simplier to implement analytical version allows to obtain the Raman spectra of arbitrary sized particles. Focusing on nanodiamond powders, the DMM-BPM theory is shown to fit the most recent experimental data much better than the commonly used phonon confinement model (PCM), especially for small enough nanoparticles.
arXiv comment12 pages, 10 figures
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- Effects of bond disorder and surface amorphization on optical phonon lifetimes and Raman peak shape in crystalline nanoparticles
- Peculiarities and evolution of Raman spectra of multilayer Ge/Si(001) heterostructures containing arrays of low-temperature MBE-grown Ge quantum dots of different size and number density: Experimental studies and numerical simulations
- Lifetimes of Confined Optical Phonons and the Shape of a Raman Peak in Disordered Nanoparticles: II. Numerical Treatment
- Bench tests for microscopic theory of Raman scattering in powders of disordered nonpolar crystals: nanodiamonds and Si nanoparticles
- Coupled oscillators model for hybridized optical phonon modes in contacting nanosized particles and quantum dot molecules