Electronic structure and orbital polarization of LaNiO3 with a reduced coordination and under strain: A first-principles study

Han, Myung Joon; van Veenendaal, Michel

doi:10.1103/PhysRevB.84.125137

Title: Electronic structure and orbital polarization of LaNiO₃ with a reduced coordination and under strain: A first-principles study

Authors:: Han, Myung Joon; van Veenendaal, Michel

Publication Date:: Thu Sep 29 00:00:00 EDT 2011

Sponsoring Org.:: USDOE

OSTI Identifier:: 1100849

Resource Type:: Publisher's Accepted Manuscript

Journal Name:: Physical Review. B, Condensed Matter and Materials Physics

Additional Journal Information:: Journal Name: Physical Review. B, Condensed Matter and Materials Physics Journal Volume: 84 Journal Issue: 12; Journal ID: ISSN 1098-0121

Publisher:: American Physical Society

Country of Publication:: United States

Language:: English

Citation Formats


                    Han, Myung Joon, and van Veenendaal, Michel. Electronic structure and orbital polarization of LaNiO3 with a reduced coordination and under strain: A first-principles study.  United States: N. p., 2011. 
Web.  doi:10.1103/PhysRevB.84.125137.

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                    Han, Myung Joon, & van Veenendaal, Michel. Electronic structure and orbital polarization of LaNiO3 with a reduced coordination and under strain: A first-principles study.  United States.  https://doi.org/10.1103/PhysRevB.84.125137

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                    Han, Myung Joon, and van Veenendaal, Michel. Thu .  
"Electronic structure and orbital polarization of LaNiO3 with a reduced coordination and under strain: A first-principles study".  United States.  https://doi.org/10.1103/PhysRevB.84.125137.

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@article{osti_1100849,

  title        = {Electronic structure and orbital polarization of LaNiO3 with a reduced coordination and under strain: A first-principles study},

  author       = {Han, Myung Joon and van Veenendaal, Michel},

  abstractNote = {},

  doi          = {10.1103/PhysRevB.84.125137},

  journal      = {Physical Review. B, Condensed Matter and Materials Physics},

  number       = 12,

  volume       = 84,

  place        = {United States},

  year         = {Thu Sep 29 00:00:00 EDT 2011},

  month        = {Thu Sep 29 00:00:00 EDT 2011}

}

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Title: Electronic structure and orbital polarization of LaNiO3 with a reduced coordination and under strain: A first-principles study

Citation Formats

Numerical atomic basis orbitals from H to Kr journal, May 2004

Dimensionality Control of Electronic Phase Transitions in Nickel-Oxide Superlattices journal, May 2011

Turning a Nickelate Fermi Surface into a Cupratelike One through Heterostructuring journal, June 2009

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Room-temperature magnetism in LaVO 3 / SrVO 3 superlattices by geometrically confined doping journal, December 2009

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Artificial charge-modulationin atomic-scale perovskite titanate superlattices journal, September 2002

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Strain-mediated metal-insulator transition in epitaxial ultrathin films of NdNiO3 journal, June 2010

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Electronic reconstruction at an interface between a Mott insulator and a band insulator journal, April 2004

Chemical control of orbital polarization in artificially structured transition-metal oxides: La 2 Ni X O 6 ( X = B , Al , Ga , In ) from first principles journal, October 2010

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Title: Electronic structure and orbital polarization of LaNiO₃ with a reduced coordination and under strain: A first-principles study

Numerical atomic basis orbitals from H to Kr
journal, May 2004

Dimensionality Control of Electronic Phase Transitions in Nickel-Oxide Superlattices
journal, May 2011

Turning a Nickelate Fermi Surface into a Cupratelike One through Heterostructuring
journal, June 2009

Metal-insulator transitions
journal, October 1998

Optical conductivity of ${LaNiO}_{3}$ : Coherent transport and correlation driven mass enhancement
journal, October 2010

Variationally optimized basis orbitals for biological molecules
journal, January 2004

Quantifying octahedral rotations in strained perovskite oxide films
journal, July 2010

Electric-Field Control of the Metal-Insulator Transition in Ultrathin NdNiO3 Films
journal, October 2010

Two-Dimensional Electron Gases at Oxide Interfaces
journal, November 2008

Variationally optimized atomic orbitals for large-scale electronic structures
journal, April 2003

Room-temperature magnetism in ${LaVO}_{3} / {SrVO}_{3}$ superlattices by geometrically confined doping
journal, December 2009

Systematic study of insulator-metal transitions in perovskites RNiO3 (R=Pr,Nd,Sm,Eu) due to closing of charge-transfer gap
journal, April 1992

Ground State of the Electron Gas by a Stochastic Method
journal, August 1980

Superconducting Interfaces Between Insulating Oxides
journal, August 2007

Orbital Reconstruction and Covalent Bonding at an Oxide Interface
journal, November 2007

Quantum confinement of Mott electrons in ultrathin LaNiO $_{3}$ /LaAlO $_{3}$ superlattices
journal, April 2011

Conductivity enhancement of ultrathin LaNiO3 films in superlattices
journal, November 2010

Artificial charge-modulationin atomic-scale perovskite titanate superlattices
journal, September 2002

Onset of metallic behavior in strained ${({LaNiO}_{3})}_{n} / {({SrMnO}_{3})}_{2}$ superlattices
journal, March 2009

Strain-mediated metal-insulator transition in epitaxial ultrathin films of NdNiO3
journal, June 2010

Optical study of strained ultrathin films of strongly correlated ${LaNiO}_{3}$
journal, February 2011

Electronic reconstruction at an interface between a Mott insulator and a band insulator
journal, April 2004

Chemical control of orbital polarization in artificially structured transition-metal oxides: ${La}_{2} Ni X O_{6}$ $(X = B, Al, Ga, In)$ from first principles
journal, October 2010

Efficient pseudopotentials for plane-wave calculations
journal, January 1991