Pressure and temperature dependence of the lattice dynamics of CuAlO2 investigated by Raman scattering experiments and ab initio calculations

J. Pellicer-Porres, D. Martínez-García, A. Segura, P. Rodríguez-Hernández, A. Muñoz, J. C. Chervin, N. Garro, and D. Kim
Phys. Rev. B 74, 184301 – Published 1 November 2006

Abstract

We have studied the vibrational properties of CuAlO2 by means of Raman scattering in ambient conditions, at low temperature, and also at high pressure. Results are discussed in the framework of an ab initio calculation. Raman active modes have wave numbers σEg=418.1±0.2cm1 and σA1g=767.2±0.3cm1. Polarized measurements with single crystals have confirmed their symmetry. We present and discuss the phonon-dispersion curves. Below 200K, the temperature dependence of the Raman active modes is almost linear, with coefficients σEgT=(4±1)×103cm1K and σA1gT=(1.0±0.2)×102cm1K. Most of the temperature shift is associated with thermal expansion. The pressure dependence is given by σEgP=2.72±0.07cm1GPa and σA1gP=4.96±0.12cm1GPa. We observe a reversible phase transition at 34±2GPa, which, as already has been shown to happen in CuGaO2, we relate to the existence of a dynamical instability.

    • Received 17 January 2006

    DOI:https://doi.org/10.1103/PhysRevB.74.184301

    ©2006 American Physical Society

    Authors & Affiliations

    J. Pellicer-Porres1,*, D. Martínez-García1, A. Segura1, P. Rodríguez-Hernández2, A. Muñoz2, J. C. Chervin3, N. Garro1, and D. Kim4

    • 1ICMUV, Universidad de Valencia, c/Dr. Moliner 50, 46100 Burjassot, Valencia, Spain
    • 2Departamento de Física Fundamental II, Universidad de la Laguna, 38204 La Laguna (Tenerife), Spain
    • 3Physique des Milieux Condensés, CNRS-UMR 7602, Université Pierre et Marie Curie, B77 4, place Jussieu, 75252 Paris Cedex 05, France
    • 4Department of Chemistry, Pukyong National University, Busan 608-737, Korea

    • *Electronic address: Julio.Pellicer@uv.es

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    Issue

    Vol. 74, Iss. 18 — 1 November 2006

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