Ground state of doped cuprates from first-principles quantum Monte Carlo calculations

Wagner, Lucas K.

doi:10.1103/PhysRevB.92.161116

Title: Ground state of doped cuprates from first-principles quantum Monte Carlo calculations

Authors:: Wagner, Lucas K.

Publication Date:: Fri Oct 30 00:00:00 EDT 2015

Sponsoring Org.:: USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR)

OSTI Identifier:: 1224729

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: 92 Journal Issue: 16; Journal ID: ISSN 1098-0121

Publisher:: American Physical Society

Country of Publication:: United States

Language:: English

Citation Formats


                    Wagner, Lucas K. Ground state of doped cuprates from first-principles quantum Monte Carlo calculations.  United States: N. p., 2015. 
Web.  doi:10.1103/PhysRevB.92.161116.

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                    Wagner, Lucas K. Ground state of doped cuprates from first-principles quantum Monte Carlo calculations.  United States.  https://doi.org/10.1103/PhysRevB.92.161116

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                    Wagner, Lucas K. Fri .  
"Ground state of doped cuprates from first-principles quantum Monte Carlo calculations".  United States.  https://doi.org/10.1103/PhysRevB.92.161116.

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@article{osti_1224729,

  title        = {Ground state of doped cuprates from first-principles quantum Monte Carlo calculations},

  author       = {Wagner, Lucas K.},

  abstractNote = {},

  doi          = {10.1103/PhysRevB.92.161116},

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

  number       = 16,

  volume       = 92,

  place        = {United States},

  year         = {Fri Oct 30 00:00:00 EDT 2015},

  month        = {Fri Oct 30 00:00:00 EDT 2015}

}

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https://doi.org/10.1103/PhysRevB.92.161116

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Title: Ground state of doped cuprates from first-principles quantum Monte Carlo calculations

Citation Formats

Generalized Gradient Approximation Made Simple journal, October 1996

The Fermi surface and band folding in La 2− x Sr x CuO 4 , probed by angle-resolved photoemission journal, December 2010

General model for explicitly hole-doped superconductor parent compounds: Electronic structure of Ca 2 − x Na x CuO 2 Cl 2 as a case study journal, August 2013

DFT + U study of magnetic order in doped La 2 CuO 4 crystals journal, August 2011

Strength of correlations in electron- and hole-doped cuprates journal, June 2010

Electronic inhomogeneity of heavily overdoped Bi 2 − x Pb x Sr 2 CuO y studied by low-temperature scanning tunneling microscopy/spectroscopy journal, February 2006

Through a Lattice Darkly: Shedding Light on Electron-Phonon Coupling in the High T c Cuprates journal, January 2010

Toward reliable density functional methods without adjustable parameters: The PBE0 model journal, April 1999

Correlated electrons in high-temperature superconductors journal, July 1994

Quantum oscillations and the Fermi surface in an underdoped high-Tc superconductor journal, May 2007

Energy-consistent pseudopotentials for quantum Monte Carlo calculations journal, June 2007

Colloquium : Electron-lattice interaction and its impact on high T c superconductivity journal, April 2009

The spin-polaron theory of high- T c superconductivity journal, February 1990

High-Spin Polaron in Lightly Doped CuO 2 Planes journal, January 2011

High- T c Superconductivity at the Interface between the CaCuO 2 and SrTiO 3 Insulating Oxides journal, September 2015

QWalk: A quantum Monte Carlo program for electronic structure journal, May 2009

Renormalization of quasiparticle hopping integrals by spin interactions in layered copper oxides journal, May 2007

Effective Hamiltonian for the superconducting Cu oxides journal, March 1988

Spatially modulated 'Mottness' in La2-xBaxCuO4 journal, December 2005

In search for the pairing glue in cuprates by non-equilibrium optical spectroscopy journal, July 2013

Energy gaps in high-transition-temperature cuprate superconductors journal, June 2014

CRYSTAL: a computational tool for the ab initio study of the electronic properties of crystals journal, January 2005

Energy-consistent small-core pseudopotentials for 3d-transition metals adapted to quantum Monte Carlo calculations journal, October 2008

Simultaneous Transitions in Cuprate Momentum-Space Topology and Electronic Symmetry Breaking journal, May 2014

Charge-density-wave origin of cuprate checkerboard visualized by scanning tunnelling microscopy journal, July 2008

A common thread: The pairing interaction for unconventional superconductors journal, October 2012

Small polarons and magnetic antiphase boundaries in Ca 2 − x Na x Cu O 2 Cl 2 ( x = 0.06 , 0.12 ) : Origin of striped phases in cuprates journal, March 2008

Beyond the locality approximation in the standard diffusion Monte Carlo method journal, October 2006

Mechanism for high-temperature superconductivity journal, September 1988

Electronic localization in the cuprates journal, June 1996

Angle-resolved photoemission studies of the cuprate superconductors journal, April 2003

Evidence for stripe correlations of spins and holes in copper oxide superconductors journal, June 1995

Generalized Gradient Approximation Made Simple
journal, October 1996

The Fermi surface and band folding in La _{2− x} Sr _x CuO ₄ , probed by angle-resolved photoemission
journal, December 2010

General model for explicitly hole-doped superconductor parent compounds: Electronic structure of Ca $_{2 - x}$ Na $_{x}$ CuO $_{2}$ Cl $_{2}$ as a case study
journal, August 2013

DFT + $U$ study of magnetic order in doped La $_{2}$ CuO $_{4}$ crystals
journal, August 2011

Strength of correlations in electron- and hole-doped cuprates
journal, June 2010

Electronic inhomogeneity of heavily overdoped ${Bi}_{2 - x} {Pb}_{x} {Sr}_{2} {CuO}_{y}$ studied by low-temperature scanning tunneling microscopy/spectroscopy
journal, February 2006

Through a Lattice Darkly: Shedding Light on Electron-Phonon Coupling in the High $T_{c}$ Cuprates
journal, January 2010

Toward reliable density functional methods without adjustable parameters: The PBE0 model
journal, April 1999

Correlated electrons in high-temperature superconductors
journal, July 1994

Quantum oscillations and the Fermi surface in an underdoped high-Tc superconductor
journal, May 2007

Energy-consistent pseudopotentials for quantum Monte Carlo calculations
journal, June 2007

Colloquium : Electron-lattice interaction and its impact on high $T_{c}$ superconductivity
journal, April 2009

The spin-polaron theory of high- T _c superconductivity
journal, February 1990

High-Spin Polaron in Lightly Doped ${CuO}_{2}$ Planes
journal, January 2011

High- $T_{c}$ Superconductivity at the Interface between the ${CaCuO}_{2}$ and ${SrTiO}_{3}$ Insulating Oxides
journal, September 2015

QWalk: A quantum Monte Carlo program for electronic structure
journal, May 2009

Renormalization of quasiparticle hopping integrals by spin interactions in layered copper oxides
journal, May 2007

Effective Hamiltonian for the superconducting Cu oxides
journal, March 1988

Spatially modulated 'Mottness' in La2-xBaxCuO4
journal, December 2005

In search for the pairing glue in cuprates by non-equilibrium optical spectroscopy
journal, July 2013

Energy gaps in high-transition-temperature cuprate superconductors
journal, June 2014

CRYSTAL: a computational tool for the ab initio study of the electronic properties of crystals
journal, January 2005

Energy-consistent small-core pseudopotentials for 3d-transition metals adapted to quantum Monte Carlo calculations
journal, October 2008

Simultaneous Transitions in Cuprate Momentum-Space Topology and Electronic Symmetry Breaking
journal, May 2014

Charge-density-wave origin of cuprate checkerboard visualized by scanning tunnelling microscopy
journal, July 2008

A common thread: The pairing interaction for unconventional superconductors
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Small polarons and magnetic antiphase boundaries in ${Ca}_{2 - x} {Na}_{x} Cu O_{2} {Cl}_{2}$ $(x = 0.06, 0.12)$ : Origin of striped phases in cuprates
journal, March 2008

Beyond the locality approximation in the standard diffusion Monte Carlo method
journal, October 2006

Mechanism for high-temperature superconductivity
journal, September 1988

Electronic localization in the cuprates
journal, June 1996

Angle-resolved photoemission studies of the cuprate superconductors
journal, April 2003

Evidence for stripe correlations of spins and holes in copper oxide superconductors
journal, June 1995