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George AM, Iñiguez J, Bellaiche L. Effects of atomic short-range order on the properties of perovskite alloys in their morphotropic phase boundary. Phys Rev Lett. 2003;91(4):045504doi: 10.1103/PhysRevLett.91.045504.
George, A. M., Iñiguez, J., & Bellaiche, L. (2003). Effects of atomic short-range order on the properties of perovskite alloys in their morphotropic phase boundary. Physical review letters, 91(4), 045504. https://doi.org/10.1103/PhysRevLett.91.045504
George, A M, et al. "Effects of atomic short-range order on the properties of perovskite alloys in their morphotropic phase boundary." Physical review letters vol. 91,4 (2003): 045504. doi: https://doi.org/10.1103/PhysRevLett.91.045504
George AM, Iñiguez J, Bellaiche L. Effects of atomic short-range order on the properties of perovskite alloys in their morphotropic phase boundary. Phys Rev Lett. 2003 Jul 25;91(4):045504. doi: 10.1103/PhysRevLett.91.045504. Epub 2003 Jul 24. PMID: 12906674.
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Phys Rev Lett. 2003 Jul 25;91(4):045504. doi: 10.1103/PhysRevLett.91.045504. Epub 2003 Jul 24.

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

Physical review letters

A M George, Jorge Iñiguez, L Bellaiche

Affiliations

  1. Physics Department, University of Arkansas, Fayetteville, Arkansas 72701, USA.

PMID: 12906674 DOI: 10.1103/PhysRevLett.91.045504

Abstract

The effects of atomic short-range order on the properties of Pb(Zr(1-x)Ti(x))O3 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.

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