Finite-Temperature Properties of Ba(Zr,Ti)O3 Relaxors from First Principles

Akbarzadeh, A. R.; Prosandeev, S.; Walter, Eric J.; Al-Barakaty, A.; Bellaiche, L.

doi:10.1103/PhysRevLett.108.257601

Title: Finite-Temperature Properties of Ba(Zr,Ti)O₃ Relaxors from First Principles

Authors:: Akbarzadeh, A. R.; Prosandeev, S.; Walter, Eric J.; Al-Barakaty, A.; Bellaiche, L.

Publication Date:: Wed Jun 20 00:00:00 EDT 2012

Sponsoring Org.:: USDOE

OSTI Identifier:: 1103608

Resource Type:: Publisher's Accepted Manuscript

Journal Name:: Physical Review Letters

Additional Journal Information:: Journal Name: Physical Review Letters Journal Volume: 108 Journal Issue: 25; Journal ID: ISSN 0031-9007

Publisher:: American Physical Society

Country of Publication:: United States

Language:: English

Citation Formats


                    Akbarzadeh, A. R., Prosandeev, S., Walter, Eric J., Al-Barakaty, A., and Bellaiche, L. Finite-Temperature Properties of Ba(Zr,Ti)O3 Relaxors from First Principles.  United States: N. p., 2012. 
Web.  doi:10.1103/PhysRevLett.108.257601.

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                    Akbarzadeh, A. R., Prosandeev, S., Walter, Eric J., Al-Barakaty, A., & Bellaiche, L. Finite-Temperature Properties of Ba(Zr,Ti)O3 Relaxors from First Principles.  United States.  https://doi.org/10.1103/PhysRevLett.108.257601

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                    Akbarzadeh, A. R., Prosandeev, S., Walter, Eric J., Al-Barakaty, A., and Bellaiche, L. Wed .  
"Finite-Temperature Properties of Ba(Zr,Ti)O3 Relaxors from First Principles".  United States.  https://doi.org/10.1103/PhysRevLett.108.257601.

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@article{osti_1103608,

  title        = {Finite-Temperature Properties of Ba(Zr,Ti)O3 Relaxors from First Principles},

  author       = {Akbarzadeh, A. R. and Prosandeev, S. and Walter, Eric J. and Al-Barakaty, A. and Bellaiche, L.},

  abstractNote = {},

  doi          = {10.1103/PhysRevLett.108.257601},

  journal      = {Physical Review Letters},

  number       = 25,

  volume       = 108,

  place        = {United States},

  year         = {Wed Jun 20 00:00:00 EDT 2012},

  month        = {Wed Jun 20 00:00:00 EDT 2012}

}

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Works referenced in this record:

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Title: Finite-Temperature Properties of Ba(Zr,Ti)O3 Relaxors from First Principles

Citation Formats

207 Pb NMR study of the relaxor behavior in PbMg 1 / 3 Nb 2 / 3 O 3 journal, December 2000

Characterization of frequency-dependent glass transition temperature by Vogel–Fulcher relationship journal, July 2008

Theory of spin glasses journal, May 1975

Long-Time Relaxation of the Dielectric Response in Lead Magnoniobate journal, February 1995

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First-principles theory of ferroelectric phase transitions for perovskites: The case of BaTiO 3 journal, September 1995

Intermediate temperature scale T ∗ in lead-based relaxor systems journal, August 2009

Phase Diagram of Pb ( Zr , Ti ) O 3 Solid Solutions from First Principles journal, October 2006

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Inhomogeneous Electron Gas journal, November 1964

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Title: Finite-Temperature Properties of Ba(Zr,Ti)O₃ Relaxors from First Principles

$^{207} Pb$ NMR study of the relaxor behavior in ${PbMg}_{1 / 3} {Nb}_{2 / 3} O_{3}$
journal, December 2000

Characterization of frequency-dependent glass transition temperature by Vogel–Fulcher relationship
journal, July 2008

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journal, May 1975

Long-Time Relaxation of the Dielectric Response in Lead Magnoniobate
journal, February 1995

Analysis of Recent Measurements of the Viscosity of Glasses
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First-principles theory of ferroelectric phase transitions for perovskites: The case of ${BaTiO}_{3}$
journal, September 1995

Intermediate temperature scale $T^{*}$ in lead-based relaxor systems
journal, August 2009

Phase Diagram of $Pb (Zr, Ti) O_{3}$ Solid Solutions from First Principles
journal, October 2006

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journal, May 1999

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journal, November 1999

Coexistence of long range order with glassy low frequency kinetics in random site electric dipole systems
journal, July 1994

Crystalline ferroelectrics with glassy polarization behavior
journal, September 1983

Coexistence of the Phonon and Relaxation Soft Modes in the Terahertz Dielectric Response of Tetragonal ${BaTiO}_{3}$
journal, October 2008

Mechanism of polarization response in the ergodic phase of a relaxor ferroelectric
journal, January 1998

Freezing of the polarization fluctuations in lead magnesium niobate relaxors
journal, September 1990

Properties of Ferroelectric Nanodots Embedded in a Polarizable Medium: Atomistic Simulations
journal, October 2006

Inhomogeneous Electron Gas
journal, November 1964

Glassy freezing in relaxor ferroelectric lead magnesium niobate
journal, May 1998

Studies on the relaxor behavior of sol-gel derived Ba(Zr x Ti1− x )O3 (0.30≤x≤0.70) thin films
journal, January 2006

Optical phonons associated with the low-temperature ferroelectric properties of perovskite solid solutions
journal, April 2002

Random local strain effects in homovalent-substituted relaxor ferroelectrics: A first-principles study of ${BaTi}_{0.74} {Zr}_{0.26} O_{3}$
journal, October 2010

Soft Mode Doublet in ${PbMg}_{1 / 3} {Nb}_{2 / 3} O_{3}$ Relaxor Investigated with Hyper-Raman Scattering
journal, June 2010

Finite-Temperature Properties of $Pb ({{Zr}_{1 - x} Ti}_{x}) O_{3}$ Alloys from First Principles
journal, June 2000

Structure-Property Phase Diagram of BaZr _x Ti _1−x O ₃ System
journal, June 2008

Virtual crystal approximation revisited: Application to dielectric and piezoelectric properties of perovskites
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Diffuse phase transitions and random-field-induced domain states of the ‘‘relaxor’’ ferroelectric ${PbMg}_{1 / 3}$ ${Nb}_{2 / 3}$ $O_{3}$
journal, February 1992

Origin of the Relaxor State in $Pb (B_{x} B_{1 - x}^{'}) O_{3}$ Perovskites
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Soft self-consistent pseudopotentials in a generalized eigenvalue formalism
journal, April 1990

Slow dynamics and ergodicity breaking in a lanthanum-modified lead zirconate titanate relaxor system
journal, January 1999

Evolution of a ferroelastic domain structure in an incommensurate phase of barium sodium niobate ( ${Ba}_{2}$ ${NaNb}_{5}$ $O_{15}$ )
journal, September 1995

A Raman and dielectric study of ferroelectric ceramics
journal, July 1999

Structurally frustrated polar nanoregions in BaTiO3-based relaxor ferroelectric systems
journal, October 2007

Direct Observation of the Formation of Polar Nanoregions in $Pb ({Mg}_{1 / 3} {Nb}_{2 / 3}) O_{3}$ Using Neutron Pair Distribution Function Analysis
journal, April 2005

Finite-temperature properties of $(Ba, Sr) Ti O_{3}$ systems from atomistic simulations
journal, April 2006

$Pb Ti O_{3}$ addition and internal dynamics in $Pb ({Zn}_{1 ∕ 3} {Nb}_{2 ∕ 3}) O_{3}$ crystal studied by Raman spectroscopy
journal, November 2005

The influence of the coexistence of ferroelectric and antiferroelectric states on the lead lanthanum zirconate titanate crystal structure
journal, April 2005

Symmetry breaking at the nanoscale and diffuse transitions in ferroelectrics: A comparative study of $Pb {Sc}_{1 ∕ 2} {Nb}_{1 ∕ 2} O_{3}$ and $Pb {Zr}_{0.6} {Ti}_{0.4} O_{3}$
journal, April 2006

Collective Dynamics of Off-Center Ions in $K_{1 - x} {Li}_{x} Ta O_{3}$ : A Model of Relaxor Behavior
journal, December 1994

“Majority Representation” of Alloy Electronic States
journal, May 1998

The crossover from a ferroelectric to a relaxor state in lead-free solid solutions
journal, January 2004

Relationship between Local Structure and Relaxor Behavior in Perovskite Oxides
journal, December 2007

Relaxorferroelectrics: An overview
journal, January 1994

Low-Temperature Properties of Pb(Zr 1− x Ti x )O 3 Solid Solutions near the Morphotropic Phase Boundary
journal, January 2002

Dipole glass and ferroelectricity in random-site electric dipole systems
journal, October 1990

Microscopic Insight into Temperature-Graded Ferroelectrics
journal, September 2010

Terahertz dielectric response of cubic $Ba Ti O_{3}$
journal, January 2008

Atomistic simulations of the incipient ferroelectric $K Ta O_{3}$
journal, August 2004