The PNR to relaxor transition in PSN with nearest neighbor Pb-O divacancies.

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Title: The PNR to relaxor transition in PSN with nearest neighbor Pb-O divacancies.
Authors: Burton, B. P.1 benjamin.burton@nist.gov, Cockayne, Eric1, Gopman, D.1, Dogan, G.1, Hood, Sarah1
Source: Ferroelectrics. 2018, Vol. 535 Issue 1, p55-64. 10p.
Subjects: Phase diagrams, Lead zirconate titanate, Molecular dynamics, Relaxor ferroelectrics
Abstract: In previous work, molecular dynamics simulations based on a firstprinciples- derived effective Hamiltonian for Pb1-X(Sc1/2Nb1/2)O3-X (PSN), with nearest-neighbor Pb-O divacancy pairs, was used to calculate X[Pb-O] vs. T, phase diagrams for PSN with: ideal rock-salt type chemical order; nanoscale chemical short-range order; and random chemical disorder. Here, we show that the phase diagrams should include additional regions in which a glassy relaxor-phase (or state) is predicted. With respect to phase diagram topology, these results strongly support the analogy between relaxors and magnetic spinglass- systems. [ABSTRACT FROM AUTHOR]
Copyright of 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: In previous work, molecular dynamics simulations based on a firstprinciples- derived effective Hamiltonian for Pb1-X(Sc1/2Nb1/2)O3-X (PSN), with nearest-neighbor Pb-O divacancy pairs, was used to calculate X[Pb-O] vs. T, phase diagrams for PSN with: ideal rock-salt type chemical order; nanoscale chemical short-range order; and random chemical disorder. Here, we show that the phase diagrams should include additional regions in which a glassy relaxor-phase (or state) is predicted. With respect to phase diagram topology, these results strongly support the analogy between relaxors and magnetic spinglass- systems. [ABSTRACT FROM AUTHOR]
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  Data: <i>Copyright of 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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        Value: 10.1080/00150193.2018.1474636
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      – Code: eng
        Text: English
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        Type: general
      – SubjectFull: Lead zirconate titanate
        Type: general
      – SubjectFull: Molecular dynamics
        Type: general
      – SubjectFull: Relaxor ferroelectrics
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      – TitleFull: The PNR to relaxor transition in PSN with nearest neighbor Pb-O divacancies.
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              Text: 2018
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