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Updated: May 24, 2026

Atomic Layer Deposition of Vanadium Dioxide and a Temperature-dependent Optical Model
Published on: May 23, 2018
Lattice dynamics of β-V2O5: Raman spectroscopic insight into the atomistic structure of a high-pressure vanadium
R Baddour-Hadjean1, M B Smirnov, K S Smirnov
1Institut de Chimie et Matériaux Paris-Est, GESMAT, UMR 7182 CNRS et Université Paris-Est Créteil, 2 rue Henri Dunant, 94320 Thiais, France. baddour@icmpe.cnrs.fr
Abstract:
We report here the Raman spectrum and lattice dynamics study of a well-crystallized β-V(2)O(5) material prepared via a high-temperature/high-pressure (HT/HP) route, using α-V(2)O(5) as the precursor. Periodic quantum-chemical density functional theory calculations show good agreement with the experimental results and allow one to assign the observed spectral features to specific vibrational modes in the β-V(2)O(5) polymorph. Key structure-spectrum relationships are extracted from comparative analysis of the vibrational states of the β-V(2)O(5) and α-V(2)O(5) structures, and spectral patterns specific to the basic units of the two V(2)O(5) phases are proposed for the first time. Such results open the way for the use of Raman spectroscopy for the structural characterization of vanadium oxide-based host lattices of interest in the field of lithium batteries and help us to greatly understand the atomistic mechanism involved in the α-to-β phase transition of vanadium pentoxide.
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