Effects of atomic short-range order on the properties of perovskite alloys in their morphotropic phase boundary

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dc.creatorGeorge, A. M.
dc.creatorIniguez, Jorge
dc.creatorBellaiche, L.
dc.date2003-09-17
dc.date.accessioned2026-07-07T02:53:31Z
dc.date.available2026-07-07T02:53:31Z
dc.descriptionThe effects of atomic short-range order on the properties of Pb(Zr_{1-x}Ti_x)O_3 alloy in its morphotropic phase boundary (MPB) are predicted by combining first-principles-based methods and annealing techniques. Clustering is found to lead to a compositional expansion of this boundary, while the association of unlike atoms yields a contraction of this region. Atomic short-range order can thus drastically affect properties of perovskite alloys in their MPB, by inducing phase transitions. Microscopic mechanisms responsible for these effects are revealed and discussed.
dc.description4 pages, with 2 postscript figures embedded. Uses REVTEX4 and graphicx macros
dc.identifierhttps://arxiv.org/abs/cond-mat/0309413
dc.identifierhttp://arxiv.org/abs/cond-mat/0309413
dc.identifierPhys. Rev. Lett. 91, 045504 (2003)
dc.identifierdoi:10.1103/PhysRevLett.91.045504
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/22246
dc.subjectMaterials Science
dc.titleEffects of atomic short-range order on the properties of perovskite alloys in their morphotropic phase boundary
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