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Title: Epitaxial short-period PbTiO3/BiFeO3 superlattices studied by first-principles calculations

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Physical Review. B, Condensed Matter and Materials Physics
Additional Journal Information:
Journal Name: Physical Review. B, Condensed Matter and Materials Physics Journal Volume: 86 Journal Issue: 14; Journal ID: ISSN 1098-0121
American Physical Society
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United States

Citation Formats

Yang, Yurong, Stengel, Massimiliano, Ren, Wei, Yan, X. H., and Bellaiche, L. Epitaxial short-period PbTiO3/BiFeO3 superlattices studied by first-principles calculations. United States: N. p., 2012. Web. doi:10.1103/PhysRevB.86.144114.
Yang, Yurong, Stengel, Massimiliano, Ren, Wei, Yan, X. H., & Bellaiche, L. Epitaxial short-period PbTiO3/BiFeO3 superlattices studied by first-principles calculations. United States. doi:10.1103/PhysRevB.86.144114.
Yang, Yurong, Stengel, Massimiliano, Ren, Wei, Yan, X. H., and Bellaiche, L. Tue . "Epitaxial short-period PbTiO3/BiFeO3 superlattices studied by first-principles calculations". United States. doi:10.1103/PhysRevB.86.144114.
title = {Epitaxial short-period PbTiO3/BiFeO3 superlattices studied by first-principles calculations},
author = {Yang, Yurong and Stengel, Massimiliano and Ren, Wei and Yan, X. H. and Bellaiche, L.},
abstractNote = {},
doi = {10.1103/PhysRevB.86.144114},
journal = {Physical Review. B, Condensed Matter and Materials Physics},
number = 14,
volume = 86,
place = {United States},
year = {2012},
month = {10}

Journal Article:
Free Publicly Available Full Text
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DOI: 10.1103/PhysRevB.86.144114

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Cited by: 17 works
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Works referenced in this record:

Preparation and characterization of BiFeO3/LaNiO3 heterostructure films grown on silicon substrate
journal, February 2010

Coexistence of ferroelectric triclinic phases in highly strained BiFeO 3 films
journal, September 2011

Evidence for Room-Temperature Multiferroicity in a Compound with a Giant Axial Ratio
journal, May 2009

Chemical control of polar behavior in bicomponent short-period superlattices
journal, June 2010

Strain dependence of polarization and piezoelectric response in epitaxial BiFeO 3 thin films
journal, March 2012

Theoretical investigation of polarization-compensated II-IV/I-V perovskite superlattices
journal, March 2009

Wannier-Based Definition of Layer Polarizations in Perovskite Superlattices
journal, September 2006

Magnetoelectricity in BiFeO 3 films: First-principles-based computations and phenomenology
journal, January 2011

A Strain-Driven Morphotropic Phase Boundary in BiFeO3
journal, November 2009

  • Zeches, R. J.; Rossell, M. D.; Zhang, J. X.
  • Science, Vol. 326, Issue 5955, p. 977-980
  • DOI: 10.1126/science.1177046

Phase Transitions in Epitaxial ( 110 ) BiFeO 3 Films from First Principles
journal, September 2011

Improper ferroelectricity in perovskite oxide artificial superlattices
journal, April 2008

  • Bousquet, Eric; Dawber, Matthew; Stucki, Nicolas
  • Nature, Vol. 452, Issue 7188
  • DOI: 10.1038/nature06817

Magnetostructural Effect in the Multiferroic BiFeO 3 BiMnO 3 Checkerboard from First Principles
journal, January 2010

Evidence of ferroelectricity weakening in the polycrystalline PbTiO 3 thin films
journal, June 1996

  • Sun, Li; Chen, Yan‐Feng; Ma, Wen‐Hui
  • Applied Physics Letters, Vol. 68, Issue 26
  • DOI: 10.1063/1.115987

wannier90: A tool for obtaining maximally-localised Wannier functions
journal, May 2008

  • Mostofi, Arash A.; Yates, Jonathan R.; Lee, Young-Su
  • Computer Physics Communications, Vol. 178, Issue 9
  • DOI: 10.1016/j.cpc.2007.11.016

Ab Initio Indications for Giant Magnetoelectric Effects Driven by Structural Softness
journal, July 2010

Concurrent transition of ferroelectric and magnetic ordering near room temperature
journal, September 2011

  • Ko, Kyung-Tae; Jung, Min Hwa; He, Qing
  • Nature Communications, Vol. 2, Issue 1
  • DOI: 10.1038/ncomms1576

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

Interplay of epitaxial strain and rotations in PbTiO 3 / PbZrO 3 superlattices from first principles
journal, November 2011

dc leakage behavior and conduction mechanism in (BiFeO3)m(SrTiO3)m superlattices
journal, June 2008

  • Ranjith, R.; Prellier, W.; Cheah, Jun Wei
  • Applied Physics Letters, Vol. 92, Issue 23
  • DOI: 10.1063/1.2937843

Suppression of Octahedral Tilts and Associated Changes in Electronic Properties at Epitaxial Oxide Heterostructure Interfaces
journal, August 2010

Berry-phase theory of polar discontinuities at oxide-oxide interfaces
journal, December 2009

Efficient Photovoltaic Current Generation at Ferroelectric Domain Walls
journal, September 2011

First-principles calculations of the electronic structure and spectra of strongly correlated systems: the LDA + U method
journal, January 1997

  • Anisimov, Vladimir I.; Aryasetiawan, F.; Lichtenstein, A. I.
  • Journal of Physics: Condensed Matter, Vol. 9, Issue 4, p. 767-808
  • DOI: 10.1088/0953-8984/9/4/002

The classification of tilted octahedra in perovskites
journal, November 1972

  • Glazer, A. M.
  • Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry, Vol. 28, Issue 11
  • DOI: 10.1107/S0567740872007976

Strain-induced isosymmetric phase transition in BiFeO 3
journal, February 2010

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

A high-mobility electron gas at the LaAlO3/SrTiO3 heterointerface
journal, January 2004

Superconducting Interfaces Between Insulating Oxides
journal, August 2007

Theory of polarization of crystalline solids
journal, January 1993

Influence of parasitic phases on the properties of BiFeO3 epitaxial thin films
journal, August 2005

  • Béa, H.; Bibes, M.; Barthélémy, A.
  • Applied Physics Letters, Vol. 87, Issue 7
  • DOI: 10.1063/1.2009808

Above-bandgap voltages from ferroelectric photovoltaic devices
journal, January 2010

Bridging Multiferroic Phase Transitions by Epitaxial Strain in BiFeO 3
journal, July 2010

Epitaxially strained [ 001 ] ( PbTiO 3 ) 1 ( PbZrO 3 ) 1 superlattice and PbTiO 3 from first principles
journal, May 2004

Accurate polarization within a unified Wannier function formalism
journal, February 2006

Interface-induced room-temperature multiferroicity in BaTiO3
journal, August 2011

  • Valencia, S.; Crassous, A.; Bocher, L.
  • Nature Materials, Vol. 10, Issue 10
  • DOI: 10.1038/nmat3098

Finite-Temperature Properties of Multiferroic BiFeO 3
journal, November 2007

BiFeO 3 Films under Tensile Epitaxial Strain from First Principles
journal, June 2011

Multiferroic Phase Transition near Room Temperature in BiFeO 3 Films
journal, November 2011