Concentration of small ring structures in vitreous silica from a first-principles analysis of the Raman spectrum

Umari, P.; Gonze, X.; Pasquarello, A.

doi:10.1103/PhysRevLett.90.027401

2003

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Abstract

A density-functional scheme for the calculation of Raman spectra of disordered materials was developed. Applied to vitreous silica, it was found that the HH Raman spectrum is strongly sensitive to intermediate range order.

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Title Concentration of small ring structures in vitreous silica from a first-principles analysis of the Raman spectrum

Author(s) Umari, P. ; Gonze, X. ; Pasquarello, A.

Published in Physical Review Letters

Volume 90

Issue 2

Pages 027401

Date 2003

Keywords

Crystal structure; Dielectric devices; Finite difference method; Frequencies; Light polarization; Perturbation techniques; Raman spectroscopy; Tensors; First principles analysis; Oxygen bending motion; Raman coupling tensor; Raman defect lines; Small ring structure; Fused silica

DOI https://doi.org/10.1103/PhysRevLett.90.027401

Other identifier(s) View record in Web of Science
DAR: 3373

Laboratories CSEA

Record Appears in Scientific production and competences > SB - School of Basic Sciences > IPHYS - Institute of Physics > CSEA - Chair of Atomic Scale Simulation
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Record creation date 2009-10-08

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