Flexoelectricity in ATiO 3 (A = Sr, Ba, Pb) perovskite oxide superlattices from density functional theory

Plymill, Austin; Xu, Haixuan

doi:10.1063/1.5018405

Title: Flexoelectricity in ATiO ₃ (A = Sr, Ba, Pb) perovskite oxide superlattices from density functional theory

Authors:

^[1]; Xu, Haixuan ^[1]

Department of Materials Science and Engineering, University of Tennessee, Knoxville, Tennessee 37996, USA

Publication Date:: 2018-04-14

Sponsoring Org.:: USDOE

OSTI Identifier:: 1432741

Grant/Contract Number:: AC02-05CH11231

Resource Type:: Publisher's Accepted Manuscript

Journal Name:: Journal of Applied Physics

Additional Journal Information:: Journal Name: Journal of Applied Physics Journal Volume: 123 Journal Issue: 14; Journal ID: ISSN 0021-8979

Publisher:: American Institute of Physics

Country of Publication:: United States

Language:: English

Citation Formats


                    Plymill, Austin, and Xu, Haixuan. Flexoelectricity in ATiO 3 (A = Sr, Ba, Pb) perovskite oxide superlattices from density functional theory.  United States: N. p., 2018. 
Web.  doi:10.1063/1.5018405.

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                    Plymill, Austin, & Xu, Haixuan. Flexoelectricity in ATiO 3 (A = Sr, Ba, Pb) perovskite oxide superlattices from density functional theory.  United States.  https://doi.org/10.1063/1.5018405

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                    Plymill, Austin, and Xu, Haixuan. Sat .  
"Flexoelectricity in ATiO 3 (A = Sr, Ba, Pb) perovskite oxide superlattices from density functional theory".  United States.  https://doi.org/10.1063/1.5018405.

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@article{osti_1432741,

  title        = {Flexoelectricity in ATiO 3 (A = Sr, Ba, Pb) perovskite oxide superlattices from density functional theory},

  author       = {Plymill, Austin and Xu, Haixuan},

  abstractNote = {},

  doi          = {10.1063/1.5018405},

  journal      = {Journal of Applied Physics},

  number       = 14,

  volume       = 123,

  place        = {United States},

  year         = {2018},

  month        = {4}

}

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Title: Flexoelectricity in ATiO 3 (A = Sr, Ba, Pb) perovskite oxide superlattices from density functional theory

Citation Formats

Possible piezoelectric composites based on the flexoelectric effect journal, June 1999

Enhanced size-dependent piezoelectricity and elasticity in nanostructures due to the flexoelectric effect journal, March 2008

Piezoelectric composite based on the enhanced flexoelectric effects journal, November 2006

Flexoelectric effects: Charge separation in insulating solids subjected to elastic strain gradients journal, January 2006

Dramatic enhancement in energy harvesting for a narrow range of dimensions in piezoelectric nanostructures journal, September 2008

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set journal, July 1996

Improper ferroelectricity in perovskite oxide artificial superlattices journal, April 2008

Flexoelectric Effect in Solids journal, July 2013

Mechanical Writing of Ferroelectric Polarization journal, April 2012

On the possibility of piezoelectric nanocomposites without using piezoelectric materials journal, November 2007

Flexoelectric polarization of barium strontium titanate in the paraelectric state journal, October 2002

Experimental studies on the direct flexoelectric effect in α-phase polyvinylidene fluoride films journal, June 2011

Enhanced direct flexoelectricity in paraelectric phase of Ba(Ti 0.87 Sn 0.13 )O 3 ceramics journal, April 2013

Nanoscale Flexoelectricity journal, January 2013

A flexoelectric microelectromechanical system on silicon journal, November 2015

Shell model of BaTiO 3 derived from ab-initio total energy calculations journal, November 2013

Structural, electronic and optical properties of cubic SrTiO3 and KTaO3: Ab initio and GW calculations journal, July 2012

Flexoelectric rotation of polarization in ferroelectric thin films journal, October 2011

From ultrasoft pseudopotentials to the projector augmented-wave method journal, January 1999

A novel atomistic approach to determine strain-gradient elasticity constants: Tabulation and comparison for various metals, semiconductors, silica, polymers and the (Ir) relevance for nanotechnologies journal, September 2007

Gradient scaling phenomenon in microsize flexoelectric piezoelectric composites journal, October 2007

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Atomistic determination of flexoelectric properties of crystalline dielectrics journal, August 2009

Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces journal, April 2008

Understanding the origins of the intrinsic dead layer effect in nanocapacitors journal, March 2009

Structural, Electronic, and Lattice Dynamics of PbTiO 3 , SnTiO 3 , and SnZrO 3 : A Comparative First-Principles Study journal, January 2013

The flexoelectricity of barium and strontium titanates from first principles journal, March 2010

Experimental studies of the converse flexoelectric effect induced by inhomogeneous electric field in a barium strontium titanate composition journal, July 2006

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Erratum: Strain-Gradient-Induced Polarization in SrTiO 3 Single Crystals [Phys. Rev. Lett. 99 , 167601 (2007)] journal, May 2008

Surface piezoelectricity: Size effects in nanostructures and the emergence of piezoelectricity in non-piezoelectric materials journal, November 2011

Piezoelectricity and flexoelectricity in crystalline dielectrics journal, October 1986

First-principles theory of frozen-ion flexoelectricity journal, November 2011

Strong polarization enhancement in asymmetric three-component ferroelectric superlattices journal, January 2005

Flexoelectricity of barium titanate journal, June 2006

Flexoelectric properties of ferroelectrics and the nanoindentation size-effect journal, January 2011

Title: Flexoelectricity in ATiO ₃ (A = Sr, Ba, Pb) perovskite oxide superlattices from density functional theory

Possible piezoelectric composites based on the flexoelectric effect
journal, June 1999

Enhanced size-dependent piezoelectricity and elasticity in nanostructures due to the flexoelectric effect
journal, March 2008

Piezoelectric composite based on the enhanced flexoelectric effects
journal, November 2006

Flexoelectric effects: Charge separation in insulating solids subjected to elastic strain gradients
journal, January 2006

Dramatic enhancement in energy harvesting for a narrow range of dimensions in piezoelectric nanostructures
journal, September 2008

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996

Improper ferroelectricity in perovskite oxide artificial superlattices
journal, April 2008

Flexoelectric Effect in Solids
journal, July 2013

Mechanical Writing of Ferroelectric Polarization
journal, April 2012

On the possibility of piezoelectric nanocomposites without using piezoelectric materials
journal, November 2007

Flexoelectric polarization of barium strontium titanate in the paraelectric state
journal, October 2002

Experimental studies on the direct flexoelectric effect in α-phase polyvinylidene fluoride films
journal, June 2011

Enhanced direct flexoelectricity in paraelectric phase of Ba(Ti _0.87 Sn _0.13 )O ₃ ceramics
journal, April 2013

Nanoscale Flexoelectricity
journal, January 2013

A flexoelectric microelectromechanical system on silicon
journal, November 2015

Shell model of BaTiO ₃ derived from ab-initio total energy calculations
journal, November 2013

Structural, electronic and optical properties of cubic SrTiO3 and KTaO3: Ab initio and GW calculations
journal, July 2012

Flexoelectric rotation of polarization in ferroelectric thin films
journal, October 2011

From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999

A novel atomistic approach to determine strain-gradient elasticity constants: Tabulation and comparison for various metals, semiconductors, silica, polymers and the (Ir) relevance for nanotechnologies
journal, September 2007

Gradient scaling phenomenon in microsize flexoelectric piezoelectric composites
journal, October 2007

Electromechanical coupling in nonpiezoelectric materials due to nanoscale nonlocal size effects: Green’s function solutions and embedded inclusions
journal, July 2006

Atomistic determination of flexoelectric properties of crystalline dielectrics
journal, August 2009

Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces
journal, April 2008

Understanding the origins of the intrinsic dead layer effect in nanocapacitors
journal, March 2009

Structural, Electronic, and Lattice Dynamics of PbTiO ₃ , SnTiO ₃ , and SnZrO ₃ : A Comparative First-Principles Study
journal, January 2013

The flexoelectricity of barium and strontium titanates from first principles
journal, March 2010

Experimental studies of the converse flexoelectric effect induced by inhomogeneous electric field in a barium strontium titanate composition
journal, July 2006

Strain-gradient-induced electric polarization in lead zirconate titanate ceramics
journal, May 2003

Erratum: Strain-Gradient-Induced Polarization in ${SrTiO}_{3}$ Single Crystals [Phys. Rev. Lett. 99 , 167601 (2007)]
journal, May 2008

Surface piezoelectricity: Size effects in nanostructures and the emergence of piezoelectricity in non-piezoelectric materials
journal, November 2011

Piezoelectricity and flexoelectricity in crystalline dielectrics
journal, October 1986

First-principles theory of frozen-ion flexoelectricity
journal, November 2011

Strong polarization enhancement in asymmetric three-component ferroelectric superlattices
journal, January 2005

Flexoelectricity of barium titanate
journal, June 2006

Flexoelectric properties of ferroelectrics and the nanoindentation size-effect
journal, January 2011