Band Gap and Edge Engineering via Ferroic Distortion and Anisotropic Strain: The Case of SrTiO3

Berger, Robert F.; Fennie, Craig J.; Neaton, Jeffrey B.

doi:10.1103/PhysRevLett.107.146804

Title: Band Gap and Edge Engineering via Ferroic Distortion and Anisotropic Strain: The Case of SrTiO₃

Authors:: Berger, Robert F.; Fennie, Craig J.; Neaton, Jeffrey B.

Publication Date:: Fri Sep 30 00:00:00 EDT 2011

Sponsoring Org.:: USDOE

OSTI Identifier:: 1100871

Resource Type:: Publisher's Accepted Manuscript

Journal Name:: Physical Review Letters

Additional Journal Information:: Journal Name: Physical Review Letters Journal Volume: 107 Journal Issue: 14; Journal ID: ISSN 0031-9007

Publisher:: American Physical Society

Country of Publication:: United States

Language:: English

Citation Formats


                    Berger, Robert F., Fennie, Craig J., and Neaton, Jeffrey B. Band Gap and Edge Engineering via Ferroic Distortion and Anisotropic Strain: The Case of SrTiO3.  United States: N. p., 2011. 
Web.  doi:10.1103/PhysRevLett.107.146804.

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                    Berger, Robert F., Fennie, Craig J., & Neaton, Jeffrey B. Band Gap and Edge Engineering via Ferroic Distortion and Anisotropic Strain: The Case of SrTiO3.  United States.  https://doi.org/10.1103/PhysRevLett.107.146804

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                    Berger, Robert F., Fennie, Craig J., and Neaton, Jeffrey B. Fri .  
"Band Gap and Edge Engineering via Ferroic Distortion and Anisotropic Strain: The Case of SrTiO3".  United States.  https://doi.org/10.1103/PhysRevLett.107.146804.

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@article{osti_1100871,

  title        = {Band Gap and Edge Engineering via Ferroic Distortion and Anisotropic Strain: The Case of SrTiO3},

  author       = {Berger, Robert F. and Fennie, Craig J. and Neaton, Jeffrey B.},

  abstractNote = {},

  doi          = {10.1103/PhysRevLett.107.146804},

  journal      = {Physical Review Letters},

  number       = 14,

  volume       = 107,

  place        = {United States},

  year         = {Fri Sep 30 00:00:00 EDT 2011},

  month        = {Fri Sep 30 00:00:00 EDT 2011}

}

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Similar Records

Title: Band Gap and Edge Engineering via Ferroic Distortion and Anisotropic Strain: The Case of SrTiO3

Citation Formats

Room-temperature ferroelectricity in strained SrTiO3 journal, August 2004

Structural properties and quasiparticle energies of cubic SrO, MgO and SrTiO 3 journal, March 2000

Phase transitions and strain-induced ferroelectricity in SrTiO 3 epitaxial thin films journal, January 2000

Maximally localized Wannier functions for GW quasiparticles journal, January 2009

Efficient implementation of the G W approximation within the all-electron FLAPW method journal, March 2010

Effect of substituting of S for O: The sulfide perovskite BaZrS 3 investigated with density functional theory journal, June 2009

ab initio Study of Strain-Induced Ferroelectricity in SrTiO 3 journal, September 2005

Ab initio calculation of pressure coefficients of band gaps of silicon: Comparison of the local-density approximation and quasiparticle results journal, April 1989

Quasiparticle and optical properties of rutile and anatase TiO 2 journal, August 2010

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Tunability of the dielectric response of epitaxially strained SrTi O 3 from first principles journal, January 2005

Photo-electrochemical hydrogen generation from water using solar energy. Materials-related aspects journal, October 2002

Quantum Confinement and Electronic Properties of Silicon Nanowires journal, June 2004

Characteristic Structural Phase Transition in Perovskite-Type Compounds journal, September 1968

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Symmetric vs. asymmetric linear M-X-M linkages in molecules, polymers, and extended networks journal, April 1986

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Title: Band Gap and Edge Engineering via Ferroic Distortion and Anisotropic Strain: The Case of SrTiO₃

Room-temperature ferroelectricity in strained SrTiO₃
journal, August 2004

Structural properties and quasiparticle energies of cubic SrO, MgO and SrTiO ₃
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Phase transitions and strain-induced ferroelectricity in ${SrTiO}_{3}$ epitaxial thin films
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Maximally localized Wannier functions for GW quasiparticles
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Efficient implementation of the $G W$ approximation within the all-electron FLAPW method
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ab initio Study of Strain-Induced Ferroelectricity in SrTiO ₃
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journal, September 2002

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
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Quasiparticle Self-Consistent $G W$ Theory
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From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999

Density Functional Theory Study of Optical Transitions in Semiconducting Single-Walled Carbon Nanotubes
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Electron correlation in semiconductors and insulators: Band gaps and quasiparticle energies
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Competing Structural Instabilities in Cubic Perovskites
journal, March 1995

The classification of tilted octahedra in perovskites
journal, November 1972

Doping-induced changes in the electronic structure of ${La}_{x}$ ${Sr}_{1 - x}$ ${TiO}_{3}$ : Limitation of the one-electron rigid-band model and the Hubbard model
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Symmetric vs. asymmetric linear M-X-M linkages in molecules, polymers, and extended networks
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