Ferroelectric Phase Transitions in Nano-Scale Chemically Ordered PbSc 0.5 Nb 0.5 O 3 Using a First-Principles Model Hamiltonian.
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| Title: | Ferroelectric Phase Transitions in Nano-Scale Chemically Ordered PbSc 0.5 Nb 0.5 O 3 Using a First-Principles Model Hamiltonian. |
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| Authors: | Waghmare, Umesh V.1 waghmare@jncasr.ac.in, Cockayne, Eric J.2, Burton, Benjamin P.2 |
| Source: | Ferroelectrics. 2003, Vol. 291 Issue 1, p187. 10p. |
| Subjects: | Ferroelectricity, Phase transitions, Dielectrics, Random fields |
| Abstract: | Effects of chemical order, disorder, short range order, and anti-phase boundaries on phase transitions and dielectric properties of PbSc 1/2 Nb 1/2 O 3 are studied through molecular dynamics simulations of a FP model. Simulations of large systems are required to capture these effects, and we present an efficient reciprocal space method, based on fast Fourier transforms, for calculating long-range interactions and inhomogeneous strain. Calculations for random or partially disordered systems yield significant increases in T = 0 K dielectric response, and broadening of the ferroelectric phase transition. Coupling between random fields caused by chemical disorder and the inhomogeneous strain (acoustic modes) affects the dynamics of soft modes in chemically nano-structured configurations. [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.) | |
| Database: | Engineering Source |
| FullText | Text: Availability: 0 |
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| Header | DbId: egs DbLabel: Engineering Source An: 10838240 AccessLevel: 6 PubType: Academic Journal PubTypeId: academicJournal PreciseRelevancyScore: 0 |
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| Items | – Name: Title Label: Title Group: Ti Data: Ferroelectric Phase Transitions in Nano-Scale Chemically Ordered PbSc 0.5 Nb 0.5 O 3 Using a First-Principles Model Hamiltonian. – Name: Author Label: Authors Group: Au Data: <searchLink fieldCode="AR" term="%22Waghmare%2C+Umesh+V%2E%22">Waghmare, Umesh V.</searchLink><relatesTo>1</relatesTo><i> waghmare@jncasr.ac.in</i><br /><searchLink fieldCode="AR" term="%22Cockayne%2C+Eric+J%2E%22">Cockayne, Eric J.</searchLink><relatesTo>2</relatesTo><br /><searchLink fieldCode="AR" term="%22Burton%2C+Benjamin+P%2E%22">Burton, Benjamin P.</searchLink><relatesTo>2</relatesTo> – Name: TitleSource Label: Source Group: Src Data: <searchLink fieldCode="JN" term="%22Ferroelectrics%22">Ferroelectrics</searchLink>. 2003, Vol. 291 Issue 1, p187. 10p. – Name: Subject Label: Subjects Group: Su Data: <searchLink fieldCode="DE" term="%22Ferroelectricity%22">Ferroelectricity</searchLink><br /><searchLink fieldCode="DE" term="%22Phase+transitions%22">Phase transitions</searchLink><br /><searchLink fieldCode="DE" term="%22Dielectrics%22">Dielectrics</searchLink><br /><searchLink fieldCode="DE" term="%22Random+fields%22">Random fields</searchLink> – Name: Abstract Label: Abstract Group: Ab Data: Effects of chemical order, disorder, short range order, and anti-phase boundaries on phase transitions and dielectric properties of PbSc 1/2 Nb 1/2 O 3 are studied through molecular dynamics simulations of a FP model. Simulations of large systems are required to capture these effects, and we present an efficient reciprocal space method, based on fast Fourier transforms, for calculating long-range interactions and inhomogeneous strain. Calculations for random or partially disordered systems yield significant increases in T = 0 K dielectric response, and broadening of the ferroelectric phase transition. Coupling between random fields caused by chemical disorder and the inhomogeneous strain (acoustic modes) affects the dynamics of soft modes in chemically nano-structured configurations. [ABSTRACT FROM AUTHOR] – Name: AbstractSuppliedCopyright Label: Group: Ab 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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| RecordInfo | BibRecord: BibEntity: Identifiers: – Type: doi Value: 10.1080/00150190390222682 Languages: – Code: eng Text: English PhysicalDescription: Pagination: PageCount: 10 StartPage: 187 Subjects: – SubjectFull: Ferroelectricity Type: general – SubjectFull: Phase transitions Type: general – SubjectFull: Dielectrics Type: general – SubjectFull: Random fields Type: general Titles: – TitleFull: Ferroelectric Phase Transitions in Nano-Scale Chemically Ordered PbSc 0.5 Nb 0.5 O 3 Using a First-Principles Model Hamiltonian. Type: main BibRelationships: HasContributorRelationships: – PersonEntity: Name: NameFull: Waghmare, Umesh V. – PersonEntity: Name: NameFull: Cockayne, Eric J. – PersonEntity: Name: NameFull: Burton, Benjamin P. IsPartOfRelationships: – BibEntity: Dates: – D: 01 M: 08 Text: 2003 Type: published Y: 2003 Identifiers: – Type: issn-print Value: 00150193 Numbering: – Type: volume Value: 291 – Type: issue Value: 1 Titles: – TitleFull: Ferroelectrics Type: main |
| ResultId | 1 |
