Phonon propagation scale and nanoscale order in vitreous silica from Raman spectroscopy
arXiv:1903.11963 · doi:10.1088/1361-648X/ab4f23
Abstract
For nanoscale systems such as nanoparticles and 3D-bonded networks, the range of spatial coherence is well reflected in the Raman spectral pattern. For confined, or localized, phonons, the range of q-points contributing to the spectrum depends on the phonon confinement length, which makes possible to derive the size information from the spectra. In this work, Raman spectrum of vitreous silica is described as localized phonons of SiO2 network. The convergence of the spectral pattern with the confinement size is studied. It is shown that the phonon propagation scale in vitreous silica is within the 0.5-2 nm range.
References in corpus (10)
- Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
- Advanced capabilities for materials modelling with Quantum ESPRESSO
- The PseudoDojo: Training and grading a 85 element optimized norm-conserving pseudopotential table
- Pseudopotentials for high-throughput DFT calculations
- First principles calculation of vibrational Raman spectra in large systems: signature of small rings in crystalline SiO2
- The hydrogen bond network of water supports propagating optical phonon-like modes
- All-Electron, Real-Space Perturbation Theory for Homogeneous Electric Fields: Theory, Implementation, and Application within DFT
- Raman spectroscopy of femtosecond multi-pulse irradiation of vitreous silica: experiment and simulation
- Quantum-chemical perspective of nanoscale Raman spectroscopy with three-dimensional phonon confinement model
- Lattice dynamics of α-cristobalite and the Boson peak in silica glass