Brillouin scattering and molecular dynamics study of the elastic properties of Pb(Mg1/3Nb2/3)O3

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dc.creatorAhart, Muhtar
dc.creatorAsthagiri, Aravind
dc.creatorYe, Zuo-Guang
dc.creatorDera, Przemyslaw
dc.creatorMao, Ho-Kwang
dc.creatorCohen, R. E.
dc.creatorHemley, Russell J.
dc.date2007-01-10
dc.date.accessioned2026-07-07T07:39:37Z
dc.date.available2026-07-07T07:39:37Z
dc.descriptionWe report the complete set of elastic constants and the bulk modulus for single crystal Pb(Mg1/3Nb2/3)O3 (PMN) at room temperature obtained from Brillouin spectroscopy and molecular dynamics (MD) simulations. The bulk modulus from Brillouin is found to be 103 GPa, in a good agreement with earlier x-ray studies. We also derived the refractive index along all principal axes and found PMN to be optically isotropic, with a refractive index of 2.52 +/- 0.02. PMN shows mechanical anisotropy with A=1.7. The MD simulations of PMN using the random site model overestimate the elastic constants by 20-50 GPa and the bulk modulus is 148 GPa, but the mechanical anisotropy matches the Brillouin results of A = 1.7. We also determined the elastic constants for various models of PMN and we find variation in the elastic constants based on chemical ordering.
dc.description29 pages, 5 figures, 4 tables
dc.identifierhttps://arxiv.org/abs/cond-mat/0701223
dc.identifierhttp://arxiv.org/abs/cond-mat/0701223
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/121517
dc.subjectMaterials Science
dc.titleBrillouin scattering and molecular dynamics study of the elastic properties of Pb(Mg1/3Nb2/3)O3
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