Understanding and Revisiting Properties of EuTiO3 Bulk Material and Films from First Principles

Yang, Yurong; Ren, Wei; Wang, Dawei; Bellaiche, L.

doi:10.1103/PhysRevLett.109.267602

Title: Understanding and Revisiting Properties of EuTiO₃ Bulk Material and Films from First Principles

Authors:: Yang, Yurong; Ren, Wei; Wang, Dawei; Bellaiche, L.

Publication Date:: Wed Dec 26 00:00:00 EST 2012

Sponsoring Org.:: USDOE

OSTI Identifier:: 1102587

Resource Type:: Publisher's Accepted Manuscript

Journal Name:: Physical Review Letters

Additional Journal Information:: Journal Name: Physical Review Letters Journal Volume: 109 Journal Issue: 26; Journal ID: ISSN 0031-9007

Publisher:: American Physical Society

Country of Publication:: United States

Language:: English

Citation Formats


                    Yang, Yurong, Ren, Wei, Wang, Dawei, and Bellaiche, L. Understanding and Revisiting Properties of EuTiO3 Bulk Material and Films from First Principles.  United States: N. p., 2012. 
Web.  doi:10.1103/PhysRevLett.109.267602.

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                    Yang, Yurong, Ren, Wei, Wang, Dawei, & Bellaiche, L. Understanding and Revisiting Properties of EuTiO3 Bulk Material and Films from First Principles.  United States.  https://doi.org/10.1103/PhysRevLett.109.267602

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                    Yang, Yurong, Ren, Wei, Wang, Dawei, and Bellaiche, L. Wed .  
"Understanding and Revisiting Properties of EuTiO3 Bulk Material and Films from First Principles".  United States.  https://doi.org/10.1103/PhysRevLett.109.267602.

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@article{osti_1102587,

  title        = {Understanding and Revisiting Properties of EuTiO3 Bulk Material and Films from First Principles},

  author       = {Yang, Yurong and Ren, Wei and Wang, Dawei and Bellaiche, L.},

  abstractNote = {},

  doi          = {10.1103/PhysRevLett.109.267602},

  journal      = {Physical Review Letters},

  number       = 26,

  volume       = 109,

  place        = {United States},

  year         = {Wed Dec 26 00:00:00 EST 2012},

  month        = {Wed Dec 26 00:00:00 EST 2012}

}

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Title: Understanding and Revisiting Properties of EuTiO3 Bulk Material and Films from First Principles

Citation Formats

First-principles prediction of oxygen octahedral rotations in perovskite-structure EuTiO 3 journal, March 2012

Magnetic properties of EuTiO 3 , Eu 2 TiO 4 , and Eu 3 Ti 2 O 7 journal, November 1974

Structure of Ferroelectric Silver Niobate AgNbO 3 journal, April 2011

Optical band gap and magnetic properties of unstrained EuTiO3 films journal, May 2009

Generalized Gradient Approximation Made Simple journal, October 1996

Nearly strain-free heteroepitaxial system for fundamental studies of pulsed laser deposition: EuTiO3 on SrTiO3 journal, November 2004

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

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Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set journal, October 1996

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Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study journal, January 1998

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The classification of tilted octahedra in perovskites journal, November 1972

Introduction to magnetoelectric coupling and multiferroic films journal, May 2011

Revisiting Properties of Ferroelectric and Multiferroic Thin Films under Tensile Strain from First Principles journal, August 2012

Magnetic and Electric Phase Control in Epitaxial EuTiO 3 from First Principles journal, December 2006

Ab initiomolecular dynamics for liquid metals journal, January 1993

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Unusual Thermodynamic Properties and Nonergodicity in Ferroelectric Superlattices journal, September 2003

New Twists on the Perovskite Theme: Crystal Structures of the Elusive Phases R and S of NaNbO 3 journal, June 2012

Relation between structural instabilities in EuTiO 3 and SrTiO 3 journal, June 2011

Theory of polarization of crystalline solids journal, January 1993

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Role of intrinsic disorder in the structural phase transition of magnetoelectric EuTiO 3 journal, May 2012

Title: Understanding and Revisiting Properties of EuTiO₃ Bulk Material and Films from First Principles

First-principles prediction of oxygen octahedral rotations in perovskite-structure EuTiO $_{3}$
journal, March 2012

Magnetic properties of ${EuTiO}_{3}$ , ${Eu}_{2}$ ${TiO}_{4}$ , and ${Eu}_{3}$ ${Ti}_{2}$ $O_{7}$
journal, November 1974

Structure of Ferroelectric Silver Niobate AgNbO ₃
journal, April 2011

Optical band gap and magnetic properties of unstrained EuTiO3 films
journal, May 2009

Generalized Gradient Approximation Made Simple
journal, October 1996

Nearly strain-free heteroepitaxial system for fundamental studies of pulsed laser deposition: EuTiO3 on SrTiO3
journal, November 2004

High-quality antiferromagnetic EuTiO3 epitaxial thin films on SrTiO3 prepared by pulsed laser deposition and postannealing
journal, February 2009

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

Preparation and magnetic properties of oxygen deficient EuTiO3−δ thin films
journal, March 2007

Multiferroic magnetoelectric composite nanostructures
journal, April 2010

The system EuTiO: Phase relations in a portion of the 1400°C isotherm
journal, February 1969

Novel Nanoscale Twinned Phases in Perovskite Oxides
journal, August 2012

Nanocrystalline NaNbO3 and NaTaO3: Rietveld studies, Raman spectroscopy and dielectric properties
journal, February 2009

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996

Structural origins of relaxor behavior in a 0.96(Bi1/2Na1/2)TiO3–0.04BaTiO3 single crystal under electric field
journal, June 2011

A strong ferroelectric ferromagnet created by means of spin–lattice coupling
journal, August 2010

Coupling between magnetism and dielectric properties in quantum paraelectric ${EuTiO}_{3}$
journal, July 2001

Magnetodielectric effect and phonon properties of compressively strained EuTiO $_{3}$ thin films deposited on (001)(LaAlO $_{3}$ ) $_{0.29}$ -(SrAl $_{1 / 2}$ Ta $_{1 / 2}$ O $_{3}$ ) $_{0.71}$
journal, March 2012

Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study
journal, January 1998

Magnetic influence on frequency of soft-phonon mode in incipient ferroelectric EuTiO3
journal, February 2003

(Ca _0.37 Sr _0.63 )TiO ₃ perovskite—an example of an unusual class of tilted perovskites
journal, March 2008

First-principles predictions of low-energy phases of multiferroic BiFeO $_{3}$
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journal, April 2008

The Polar Phase of NaNbO ₃ : A Combined Study by Powder Diffraction, Solid-State NMR, and First-Principles Calculations
journal, June 2010

The classification of tilted octahedra in perovskites
journal, November 1972

Introduction to magnetoelectric coupling and multiferroic films
journal, May 2011

Revisiting Properties of Ferroelectric and Multiferroic Thin Films under Tensile Strain from First Principles
journal, August 2012

Magnetic and Electric Phase Control in Epitaxial ${EuTiO}_{3}$ from First Principles
journal, December 2006

Ab initiomolecular dynamics for liquid metals
journal, January 1993

Antiferromagnetic superexchange via $3 d$ states of titanium in EuTiO $_{3}$ as seen from hybrid Hartree-Fock density functional calculations
journal, June 2011

Unusual Thermodynamic Properties and Nonergodicity in Ferroelectric Superlattices
journal, September 2003

New Twists on the Perovskite Theme: Crystal Structures of the Elusive Phases R and S of NaNbO ₃
journal, June 2012

Relation between structural instabilities in EuTiO $_{3}$ and SrTiO $_{3}$
journal, June 2011

Theory of polarization of crystalline solids
journal, January 1993

Magnetic Structure of EuTiO ₃
journal, March 1966

Role of intrinsic disorder in the structural phase transition of magnetoelectric EuTiO $_{3}$
journal, May 2012