Can Disorder Alone Destroy the eg′ Hole Pockets of NaxCoO2? A Wannier Function Based First-Principles Method for Disordered Systems

doi:10.1103/PhysRevLett.106.077005

Title: Can Disorder Alone Destroy the e_g′ Hole Pockets of Na_xCoO₂? A Wannier Function Based First-Principles Method for Disordered Systems

Authors:: Berlijn, Tom; Volja, Dmitri; Ku, Wei

Publication Date:: 2011-02-18

Sponsoring Org.:: USDOE

OSTI Identifier:: 1099888

Resource Type:: Publisher's Accepted Manuscript

Journal Name:: Physical Review Letters

Additional Journal Information:: Journal Name: Physical Review Letters Journal Volume: 106 Journal Issue: 7; Journal ID: ISSN 0031-9007

Publisher:: American Physical Society

Country of Publication:: United States

Language:: English

Citation Formats


                    Berlijn, Tom, Volja, Dmitri, and Ku, Wei. Can Disorder Alone Destroy the eg′ Hole Pockets of NaxCoO2? A Wannier Function Based First-Principles Method for Disordered Systems.  United States: N. p., 2011. 
        Web.  doi:10.1103/PhysRevLett.106.077005.

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                    Berlijn, Tom, Volja, Dmitri, & Ku, Wei. Can Disorder Alone Destroy the eg′ Hole Pockets of NaxCoO2? A Wannier Function Based First-Principles Method for Disordered Systems.  United States.  doi:10.1103/PhysRevLett.106.077005.

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                    Berlijn, Tom, Volja, Dmitri, and Ku, Wei. Fri .  
        "Can Disorder Alone Destroy the eg′ Hole Pockets of NaxCoO2? A Wannier Function Based First-Principles Method for Disordered Systems".  United States.  doi:10.1103/PhysRevLett.106.077005.

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@article{osti_1099888,

  title        = {Can Disorder Alone Destroy the eg′ Hole Pockets of NaxCoO2? A Wannier Function Based First-Principles Method for Disordered Systems},

  author       = {Berlijn, Tom and Volja, Dmitri and Ku, Wei},

  abstractNote = {},

  doi          = {10.1103/PhysRevLett.106.077005},

  journal      = {Physical Review Letters},

  number       = 7,

  volume       = 106,

  place        = {United States},

  year         = {2011},

  month        = {2}

}

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DOI: 10.1103/PhysRevLett.106.077005

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Title: Can Disorder Alone Destroy the eg′ Hole Pockets of NaxCoO2? A Wannier Function Based First-Principles Method for Disordered Systems

Citation Formats

Complete Solution of the Korringa-Kohn-Rostoker Coherent-Potential-Approximation Equations: Cu-Ni Alloys journal, July 1978

Shubnikov–de Haas Effect in the Metallic State of Na 0.3 CoO 2 journal, September 2006

Origin of a 1 g and e g ′ orderings in Na x CoO 2 journal, July 2008

Electronic Structure of the Na x CoO 2 Surface journal, December 2008

Charge Ordering, Commensurability, and Metallicity in the Phase Diagram of the Layered Na x Co O 2 journal, June 2004

Interorbital Charge Transfers and Fermi-Surface Deformations in Strongly Correlated Metals: Models, BaVS 3 and Na x CoO 2 journal, January 2005

Na-Induced Correlations in Na x CoO 2 journal, April 2007

Magnetic Ordering and Spin Waves in Na 0.82 CoO 2 journal, April 2005

Sodium ion ordering in Na x CoO 2 : Electron diffraction study journal, July 2004

Full orbital calculation scheme for materials with strongly correlated electrons journal, March 2005

Insulating Ferromagnetism in L a 4 B a 2 C u 2 O 10 : An Ab Initio Wannier Function Analysis journal, September 2002

Na content dependence of superconductivity and the spin correlations in Na x CoO 2 ·1.3H 2 O journal, January 2006

Destruction of the Small Fermi Surfaces in Na x CoO 2 by Disorder journal, July 2006

Complete d -Band Dispersion Relation in Sodium Cobaltates journal, November 2006

Large thermoelectric power in NaCo 2 O 4 single crystals journal, November 1997

Fermi Surface Evolution and Luttinger Theorem in Na x CoO 2 : A Systematic Photoemission Study journal, September 2005

Maximally localized generalized Wannier functions for composite energy bands journal, November 1997

Specific heat study of the Na0.3CoO2·1.3H2O superconductor: influence of the complex chemistry journal, February 2004

Superconductivity in two-dimensional CoO2 layers journal, March 2003

Elliptical hole pockets in the Fermi surfaces of unhydrated and hydrated sodium cobalt oxides journal, August 2007

Correlation Effects on the Doped Triangular Lattice in View of the Physics of Sodium-Rich Na x CoO 2 journal, January 2009

Temperature-concentration phase diagram of P 2 -Na x CoO 2 from first-principles calculations journal, June 2008

Are cobaltates conventional? An ARPES viewpoint journal, July 2006

Electronic structure of NaCo 2 O 4 journal, May 2000

Quasiparticle Dispersion and Heat Capacity of Na 0.3 CoO 2 : A Dynamical Mean-Field Theory Study journal, December 2007

Unfolding First-Principles Band Structures journal, May 2010

Title: Can Disorder Alone Destroy the e_g′ Hole Pockets of Na_xCoO₂? A Wannier Function Based First-Principles Method for Disordered Systems

Complete Solution of the Korringa-Kohn-Rostoker Coherent-Potential-Approximation Equations: Cu-Ni Alloys
journal, July 1978

Shubnikov–de Haas Effect in the Metallic State of ${Na}_{0.3} {CoO}_{2}$
journal, September 2006

Origin of $a_{1 g}$ and $e_{g}^{'}$ orderings in ${Na}_{x} {CoO}_{2}$
journal, July 2008

Electronic Structure of the ${Na}_{x} {CoO}_{2}$ Surface
journal, December 2008

Charge Ordering, Commensurability, and Metallicity in the Phase Diagram of the Layered ${Na}_{x} Co O_{2}$
journal, June 2004

Interorbital Charge Transfers and Fermi-Surface Deformations in Strongly Correlated Metals: Models, BaVS ₃ and Na _x CoO ₂
journal, January 2005

Na-Induced Correlations in ${Na}_{x} {CoO}_{2}$
journal, April 2007

Magnetic Ordering and Spin Waves in ${Na}_{0.82} {CoO}_{2}$
journal, April 2005

Sodium ion ordering in ${Na}_{x} {CoO}_{2}$ : Electron diffraction study
journal, July 2004

Full orbital calculation scheme for materials with strongly correlated electrons
journal, March 2005

Insulating Ferromagnetism in ${L a}_{4} {B a}_{2} {C u}_{2} O_{10}$ : An Ab Initio Wannier Function Analysis
journal, September 2002

Na content dependence of superconductivity and the spin correlations in Na _x CoO ₂ ·1.3H ₂ O
journal, January 2006

Destruction of the Small Fermi Surfaces in ${Na}_{x} {CoO}_{2}$ by Disorder
journal, July 2006

Complete $d$ -Band Dispersion Relation in Sodium Cobaltates
journal, November 2006

Large thermoelectric power in ${NaCo}_{2} O_{4}$ single crystals
journal, November 1997

Fermi Surface Evolution and Luttinger Theorem in ${Na}_{x} {CoO}_{2}$ : A Systematic Photoemission Study
journal, September 2005

Maximally localized generalized Wannier functions for composite energy bands
journal, November 1997

Specific heat study of the Na0.3CoO2·1.3H2O superconductor: influence of the complex chemistry
journal, February 2004

Superconductivity in two-dimensional CoO2 layers
journal, March 2003

Elliptical hole pockets in the Fermi surfaces of unhydrated and hydrated sodium cobalt oxides
journal, August 2007

Correlation Effects on the Doped Triangular Lattice in View of the Physics of Sodium-Rich ${Na}_{x} {CoO}_{2}$
journal, January 2009

Temperature-concentration phase diagram of $P 2 {-Na}_{x} {CoO}_{2}$ from first-principles calculations
journal, June 2008

Are cobaltates conventional? An ARPES viewpoint
journal, July 2006

Electronic structure of ${NaCo}_{2} O_{4}$
journal, May 2000

Quasiparticle Dispersion and Heat Capacity of ${Na}_{0.3} {CoO}_{2}$ : A Dynamical Mean-Field Theory Study
journal, December 2007

Unfolding First-Principles Band Structures
journal, May 2010