THE EFFECT OF NEAREST NEIGHBOR [Pb─O] DIVACANCY PAIRS ON THE FERROELECTRIC-RELAXOR TRANSITION IN NANO-ORDERED Pb(Sc1/2Nb1/2)O3.

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Title: THE EFFECT OF NEAREST NEIGHBOR [Pb─O] DIVACANCY PAIRS ON THE FERROELECTRIC-RELAXOR TRANSITION IN NANO-ORDERED Pb(Sc1/2Nb1/2)O3.
Authors: BURTON, B. P.1 benjamin.burton@nist.gov, TINTE, SILVIA1, COCKAYNE, ERIC1, WAGHMARE, U. V.2
Source: Integrated Ferroelectrics. 2008, Vol. 101 Issue 1, p37-43. 7p. 1 Diagram, 1 Chart, 2 Graphs.
Subjects: Ferroelectricity, Molecular dynamics, Hydrostatic pressure, Topology, Phase transitions
Abstract: Molecular dynamics simulations were performed on a first-principles-based effective Hamiltonians for chemically short-range ordered Pb(Sc1/2Nb1/2) O3 with nearest neighbor [Pb─O] divacancy pairs. The divacancy-concentration (X[Pb-O]) vs. temperature phase diagram was calculated, and it is topologically equivalent to the hydrostatic pressure (P) vs. temperature diagram: a ferroelectric ground-state phase at low X[Pb - O] (P); that transforms to a relaxor paraelectric phase at moderate X[Pb - O] (P); followed by a crossover to a normal paraelectric phase at high X[Pb - O](P). [ABSTRACT FROM AUTHOR]
Copyright of Integrated Ferroelectrics is the property of Taylor & Francis Ltd and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)
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  Data: THE EFFECT OF NEAREST NEIGHBOR [Pb─O] DIVACANCY PAIRS ON THE FERROELECTRIC-RELAXOR TRANSITION IN NANO-ORDERED Pb(Sc1/2Nb1/2)O3.
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  Data: <searchLink fieldCode="JN" term="%22Integrated+Ferroelectrics%22">Integrated Ferroelectrics</searchLink>. 2008, Vol. 101 Issue 1, p37-43. 7p. 1 Diagram, 1 Chart, 2 Graphs.
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  Data: Molecular dynamics simulations were performed on a first-principles-based effective Hamiltonians for chemically short-range ordered Pb(Sc1/2Nb1/2) O3 with nearest neighbor [Pb─O] divacancy pairs. The divacancy-concentration (X[Pb-O]) vs. temperature phase diagram was calculated, and it is topologically equivalent to the hydrostatic pressure (P) vs. temperature diagram: a ferroelectric ground-state phase at low X[Pb - O] (P); that transforms to a relaxor paraelectric phase at moderate X[Pb - O] (P); followed by a crossover to a normal paraelectric phase at high X[Pb - O](P). [ABSTRACT FROM AUTHOR]
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  Data: <i>Copyright of Integrated Ferroelectrics is the property of Taylor & Francis Ltd and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.)
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        Text: English
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      – SubjectFull: Hydrostatic pressure
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      – SubjectFull: Phase transitions
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      – TitleFull: THE EFFECT OF NEAREST NEIGHBOR [Pb─O] DIVACANCY PAIRS ON THE FERROELECTRIC-RELAXOR TRANSITION IN NANO-ORDERED Pb(Sc1/2Nb1/2)O3.
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