Origin of the High-Frequency Doublet in the Vibrational Spectrum of Vitreous SiO2

No abstract is available for this paper.

• Publication year

  1997

• Venue

  Science

• Publication date

  1997-03-28

• Fields of study

  Chemistry, Medicine, Materials Science, Physics

• Identifiers
  DOI 10.1126/SCIENCE.275.5308.1925PMID 9072968
• External record

  Open on Semantic Scholar

• Source metadata

  Semantic Scholar, PubMed

• No claims are published for this paper.

• No concepts are published for this paper.

• Polarization Effects, Network Dynamics, and the Infrared Spectrum of Amorphous SiO2.

  1996cited by this paper
• Analysis of the vibrational mode spectra of amorphous SiO2 films

  1995cited by this paper
• Ab initio calculation of the thermodynamic properties and atomic temperature factors of SiO2 alpha -quartz and stishovite.

  1995cited by this paper
• Structural and electronic properties of liquid and amorphous SiO2: An ab initio molecular dynamics study.

  1995cited by this paper
• Model of vitreous SiO2 generated by an ab initio molecular-dynamics quench from the melt.

  1995cited by this paper
• Lattice dynamics and dielectric properties of SiO2 stishovite.

  1994cited by this paper
• Interatomic force constants from first principles: The case of alpha -quartz.

  1994cited by this paper
• A molecular dynamics study of the vibrational properties of silica glass

  1994cited by this paper
• Lattice dynamics of alpha -quartz. I. Experiment

  1993cited by this paper
• Car-Parrinello molecular dynamics with Vanderbilt ultrasoft pseudopotentials.

  1993cited by this paper
• Dynamic structure factor and vibrational properties of SiO2 glass.

  1993cited by this paper
• Dielectric tensor, effective charges, and phonons in alpha -quartz by variational density-functional perturbation theory.

  1992cited by this paper
• Ab initio molecular dynamics for d-electron systems: Liquid copper at 1500 K.

  1992cited by this paper
• A dynamic correlation function for amorphous solids

  1992cited by this paper
• Intermediate-range order in permanently densified vitreous SiO2: A neutron-diffraction and molecular-dynamics study.

  1991cited by this paper
• Raman spectroscopic investigation of irreversibly compacted vitreous silica

  1990cited by this paper
• Quantitative analysis of the effect of disorder-induced mode coupling on infrared absorption in silica.

  1988cited by this paper
• Quantitative analysis of the effect of disorder-induced mode coupling on infrared absorption in silica.

  1988cited by this paper
• Coulomb effects in disordered solids.

  1986cited by this paper
• Correlated motions in glasses studied by coherent inelastic neutron scattering.

  1985cited by this paper
• Coulomb splittings in glasses.

  1985cited by this paper
• Unified approach for molecular dynamics and density-functional theory.

  1985cited by this paper
• Longitudinal-optic-transverse-optic vibrational mode splittings in tetrahedral network glasses

  1984cited by this paper
• Law of conservation of momentum and rule of mutual exclusion for vibrational excitations in hyper-Raman and Raman spectra of glasses

  1984cited by this paper
• Comparison of the neutron, Raman, and infrared vibrational spectra of vitreous SiO 2 , GeO 2 , and BeF 2

  1983cited by this paper
• Optical Phonons in Amorphous Silicon Oxides. I. Calculation of the Density of States and Interpretation of LoTo Splittings of Amorphous Sio2

  1983cited by this paper
• A Raman spectroscopic study of glasses along the joins silica-calcium aluminate, silica-sodium aluminate, and silica-potassium aluminate

  1982cited by this paper
• Phonons in AX2 glasses: From molecular to band-like modes

  1977cited by this paper
• Longitudinal Optical Vibrations in Glasses: GeO 2 and SiO 2

  1976cited by this paper
• Acoustic and optical modes in vitreous silica, germania and beryllium fluoride

  1975cited by this paper

• The effect of disorder and mechanical deformation on the vibrational density of states in 2D silica

  2026cites this paper
• Viscosity and structure of Na2O-enriched haplogranitic melts: a DSC shift-factor calibration for peralkaline rhyolites

  2025cites this paper
• Er3+‐Tm3+ Co‐Doped Hybridized Gadolinium Aluminosilicate Glass Fiber for Broadband Optical Amplification

  2025cites this paper
• Molecular structure determination of acid-initiated sodium silicate sol-gels via Raman spectroscopy

  2025cites this paper
• The impact of densification on the boson peak and structure in vitreous silica

  2025cites this paper
• Comparing the vibrational properties of common glass interatomic potentials

  2025cites this paper
• Structure of alkali magnesium, zinc, and calcium metasilicate glasses.

  2025cites this paper
• Static and kinetic study of the structure and dynamics of vitreous silica at high temperatures by infrared emission spectroscopy

  2024cites this paper
• Effect of ZnO/Li2O ratio on the structure and properties of Li2O-ZnO-SiO2-P2O5 glass-ceramics sealants

  2024cites this paper
• Investigating cerium redox changes between aluminosilicate glass and melt: A multispectroscopic approach.

  2024cites this paper
• Elaboration of a neural-network interatomic potential for silica glass and melt

  2024cites this paper
• Raman spectroscopic measurements and imaging on sub-newton Berkovich and spherical imprints in fused silica.

  2024cites this paper
• The boson peak in silicate glasses: insight from molecular dynamics.

  2023cites this paper
• From Short to Medium Range Order in Glasses and Melts by Diffraction and Raman Spectroscopy

  2022cites this paper
• Two-photon absorption induced dangling bonds in amorphous silica revealed by molecular dynamics simulations

  2022cites this paper
• Two-Dimensional Ultrathin Silica Films

  2022cites this paper
• Molecular Simulations of Oxide and Silicate Melts and Glasses

  2022cites this paper
• Magnetoelastic coupling enabled tunability of magnon spin current generation in two-dimensional antiferromagnets

  2021cites this paper
• Accurate large-scale simulations of siliceous zeolites by neural network potentials

  2021cites this paper
• The effect of iron and alkali on the nanocrystal-free viscosity of volcanic melts: A combined Raman spectroscopy and DSC study

  2021cites this paper
• Insights into superconductivity of LaO from experiments and first-principles calculations

  2021cites this paper
• Percolation transitions in compressed SiO2 glasses

  2021cites this paper
• The influence of modifier cations on the Raman stretching modes of Q n species in alkali silicate glasses

  2020cites this paper
• Structure and vibrational properties of sodium silicate glass surfaces.

  2020cites this paper
• In-situ Raman spectroscopic measurements of the deformation region in indented glasses.

  2020cites this paper
• Atomistic modeling approach to the thermodynamics of sodium silicate glasses

  2020cites this paper
• Phonon traces in glassy vibrations

  2020cites this paper
• Factors affecting line shapes and intensities of Q3 and Q4 Raman bands of Cs silicate glasses

  2019cites this paper
• Silicate Glasses

  2019cites this paper
• Vibrational and structural properties of P2O5 glass: Advances from a combined modeling approach

  2019cites this paper
• Two-Dimensional Phonon-Polariton Heat Transport.

  2019cites this paper
• High-frequency response of classical strongly coupled plasmas.

  2019cites this paper
• v-P2O5 micro-clustering in P-doped silica studied by a first-principles Raman investigation

  2019cites this paper
• Comparison of different machine learning models for the prediction of forces in copper and silicon dioxide.

  2018cites this paper
• Vibrational properties of sodosilicate glasses from first-principles calculations

  2018cites this paper
• Lorentzian dominated lineshapes and linewidths for Raman symmetric stretch peaks (800-1200 cm -1 ) in Q n (n = 1-3) species of alkali silicate glasses/melts

  2018cites this paper
• Partial vibrational density of states for amorphous solids from inelastic neutron scattering

  2018cites this paper
• Manipulation d’énergie thermique avec des ondes de surface électromagnétique aux échelles micro- et anoscopiques

  2017cites this paper
• A generalized Ewald decomposition for screened Coulomb interactions.

  2017cites this paper
• Structure-property relations of caesium silicate glasses from room temperature to 1400 K: Implications from density and Raman spectroscopy

  2017cites this paper
• Effect of oxygen fugacity on the glass transition, viscosity and structure of silica- and iron-rich magmatic melts

  2017cites this paper
• Electron densities over Si and O atoms of tetrahedra and their impact on Raman stretching frequencies and Si-NBO force constants

  2017cites this paper
• Fe-oxidation state in alkali-trisilicate glasses - A Raman spectroscopic study

  2017cites this paper
• Raman spectroscopy of femtosecond multipulse irradiation of vitreous silica: Experiment and simulation

  2017cites this paper
• Selecting reliable interatomic potentials for classical molecular dynamics simulations of glasses: The case of amorphous SiO2

  2017cites this paper
• In situ structural changes of amorphous diopside (CaMgSi2O6) up to 20 GPa: A Raman and O K-edge X-ray Raman spectroscopic study

  2016cites this paper
• Vibrations in amorphous silica

  2016cites this paper
• Developing empirical potentials from ab initio simulations: The case of amorphous silica

  2016cites this paper
• Specular reflectance (SR) and attenuated total reflectance (ATR) infrared (IR) spectroscopy of transparent flat glass surfaces: A case study for soda lime float glass

  2015cites this paper
• Detailed analysis of plastic shear in the Raman spectra of SiO2 glass

  2015cites this paper
• Structure and Properties of Silica Glass Densified in Cold Compression and Hot Compression

  2015cites this paper
• Solubility and solution mechanisms of chlorine and fluorine in aluminosilicate melts at high pressure and high temperature

  2015cites this paper
• Revision 2 : Solubility and solution mechanisms of chlorine and fluorine in aluminosilicate 1 melts 2 at high pressure and high temperature . 3 4

  2015cites this paper
• Développement de nouvelles matrices vitreuses pour la fonctionnalisation de fibres optiques par l’exploitation de la technologie Poudre

  2015cites this paper
• Theoretical Approaches to Structure and Spectroscopy of Earth Materials

  2014cites this paper
• The role of Al3+ on rheology and structural changes in sodium silicate and aluminosilicate glasses and melts

  2014cites this paper
• Advances in Raman Spectroscopy Applied to Earth and Material Sciences

  2014cites this paper
• Effect of the Na/K mixing on the structure and the rheology of tectosilicate silica-rich melts

  2013cites this paper
• Vibrational properties of silica species in MgO–SiO2 glasses obtained from ab initio molecular dynamics

  2013cites this paper
• Modelling the structural evolution of ternary phosphate glasses from melts to solid amorphous materials.

  2013cites this paper
• Neutron irradiation effects on the structural properties of KU1, KS-4V and I301 silica glasses

  2013cites this paper
• Hierarchical Methods for Dynamics in Complex Molecular Systems

  2012cites this paper
• The structure of two-dimensional vitreous silica

  2012cites this paper
• The Structure and Dynamics of Fundamental Glasses by Neutron Scattering Techniques

  2012cites this paper
• Vibrational mode frequencies of silica species in SiO2-H2O liquids and glasses from ab initio molecular dynamics.

  2012cites this paper
• The vibrations of vitreous silica observed in hyper‐Raman scattering

  2012cites this paper
• Structural, elastic, vibrational and electronic properties of amorphous Al2O3 from ab initio calculations

  2011cites this paper
• Computational studies of phosphate clusters and bioglasses

  2011cites this paper
• Vibrational properties of vitreous GeSe2 with the Becke–Lee–Yang–Parr density functional

  2011cites this paper
• Q speciation in alkali germanate glasses

  2010cites this paper
• An Ab Initio Molecular Dynamics Study of Bioactive Phosphate Glasses

  2010cites this paper
• Structural and dynamical heterogeneity in molten Si-rich oxides

  2010cites this paper
• Interface structure of silicon nanocrystals embedded in an amorphous silica matrix

  2010cites this paper
• Resonant interaction between hydrogen vibrational modes in AlSb:Se.

  2009cites this paper
• Medium-range structure of vitreous SiO2 obtained through first-principles investigation of vibrational spectra

  2009cites this paper
• Computer modeling of natural silicate melts: What can we learn from ab initio simulations

  2009cites this paper
• The structure of GeO2–SiO2 glasses and melts: A Raman spectroscopy study

  2009cites this paper
• Ultrathin, ordered oxide films on metal surfaces

  2008cites this paper
• Nature of the hyper-Raman active vibrations of lithium borate glasses

  2008cites this paper
• Molecular dynamics study of the vibrational pattern of ring structures in the Raman spectra of vitreous silica

  2008cites this paper
• Vibrational spectra of vitreous SiO2 and vitreous GeO2 from first principles

  2007cites this paper
• Structural Properties and Diffusion Behaviors of Liquid Silica at Finite Temperatures

  2007cites this paper
• Reply to comment on “The structure of monolayer SiO 2 on Mo(1 1 2): A 2-D [Si O Si] network or isolated [SiO 4 ] units?”

  2007cites this paper
• Quantum chemical insight on vibration spectra of silica systems

  2007cites this paper
• Shell-model molecular dynamics calculations of modified silicate glasses

  2006cites this paper
• Vibrational spectra of vitreous germania from first-principles

  2006cites this paper
• Structural and electronic properties of modified sodium and soda-lime silicate glasses by Car–Parrinello molecular dynamics

  2006cites this paper
• Ab initio molecular dynamics study of 45S5 bioactive silicate glass.

  2006cites this paper
• Adsorption of organic molecules on silica surface.

  2006cites this paper
• Mixed Wannier-Bloch functions for electrons and phonons in periodic systems.

  2006cites this paper
• A QUICKSTEP-based quantum mechanics/molecular mechanics approach for silica.

  2006cites this paper
• Medium-range structural properties of vitreous germania obtained through first-principles analysis of vibrational spectra.

  2005cites this paper
• Structure and properties of amorphous silica and its related materials : Recent developments and future directions

  2005cites this paper
• Fraction of boroxol rings in vitreous boron oxide from a first-principles analysis of Raman and NMR spectra.

  2005cites this paper
• Infrared and Raman spectra of disordered materials from first principles

  2005cites this paper
• First-principles codes for computational crystallography in the Quantum-ESPRESSO package

  2005cites this paper
• Basic Concepts and Trends in ab Initio Molecular Dynamics

  2004cites this paper
• Part I. From the Lab to the Field - Recent Developments in Polymer Coated ATR Sensing for the Determination of Volatile Organic Compounds ; Part II. From the Field to the Lab - Investigating IR Signatures for Remote Sensing Applications

  2004cites this paper
• Density-functional perturbational theory for dielectric tensors in the ultrasoft pseudopotential scheme

  2004cites this paper
• Synthesis and characterization of nanosilica prepared by precipitation method

  2004cites this paper