Lattice Energetics and Correlation-Driven Metal-Insulator Transitions: The Case of Ca 2 RuO 4

Han, Qiang; Millis, Andrew

doi:10.1103/PhysRevLett.121.067601

Title: Lattice Energetics and Correlation-Driven Metal-Insulator Transitions: The Case of ${Ca}_{2} {RuO}_{4}$

Authors:: Han, Qiang; Millis, Andrew

Publication Date:: Wed Aug 08 00:00:00 EDT 2018

Sponsoring Org.:: USDOE

OSTI Identifier:: 1463381

Grant/Contract Number:: ER-04169

Resource Type:: Publisher's Accepted Manuscript

Journal Name:: Physical Review Letters

Additional Journal Information:: Journal Name: Physical Review Letters Journal Volume: 121 Journal Issue: 6; Journal ID: ISSN 0031-9007

Publisher:: American Physical Society

Country of Publication:: United States

Language:: English

Citation Formats


                    Han, Qiang, and Millis, Andrew. Lattice Energetics and Correlation-Driven Metal-Insulator Transitions: The Case of Ca 2 RuO 4.  United States: N. p., 2018. 
Web.  doi:10.1103/PhysRevLett.121.067601.

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                    Han, Qiang, & Millis, Andrew. Lattice Energetics and Correlation-Driven Metal-Insulator Transitions: The Case of Ca 2 RuO 4.  United States.  https://doi.org/10.1103/PhysRevLett.121.067601

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                    Han, Qiang, and Millis, Andrew. Wed .  
"Lattice Energetics and Correlation-Driven Metal-Insulator Transitions: The Case of Ca 2 RuO 4".  United States.  https://doi.org/10.1103/PhysRevLett.121.067601.

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@article{osti_1463381,

  title        = {Lattice Energetics and Correlation-Driven Metal-Insulator Transitions: The Case of Ca 2 RuO 4},

  author       = {Han, Qiang and Millis, Andrew},

  abstractNote = {},

  doi          = {10.1103/PhysRevLett.121.067601},

  journal      = {Physical Review Letters},

  number       = 6,

  volume       = 121,

  place        = {United States},

  year         = {Wed Aug 08 00:00:00 EDT 2018},

  month        = {Wed Aug 08 00:00:00 EDT 2018}

}

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Works referenced in this record:

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Similar Records

Title: Lattice Energetics and Correlation-Driven Metal-Insulator Transitions: The Case of Ca 2 RuO 4

Citation Formats

Change of Electronic Structure in C a 2 R u O 4 Induced by Orbital Ordering journal, July 2003

Control of the electronic phase of a manganite by mode-selective vibrational excitation journal, September 2007

Spectral Evolution in ( C a , S r ) RuO 3 near the Mott-Hubbard Transition journal, June 1999

Ca 2 RuO 4 : New Mott Insulators of Layered Ruthenate journal, July 1997

Structural and magnetic aspects of the metal-insulator transition in Ca 2 − x Sr x RuO 4 journal, April 2001

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set journal, July 1996

Crystal and magnetic structure of LaTiO 3 : Evidence for nondegenerate t 2 g orbitals journal, August 2003

Transient photoinduced ‘hidden’ phase in a manganite journal, January 2011

Nature of the Mott Transition in Ca 2 RuO 4 journal, June 2010

Mott Transition and Suppression of Orbital Fluctuations in Orthorhombic 3 d 1 Perovskites journal, April 2004

Mott Transition in Cr-Doped V 2 O 3 journal, December 1969

Tailoring the electronic properties of Ca 2 RuO 4 via epitaxial strain journal, January 2018

Metal-insulator transitions journal, October 1998

Charge disproportionation in RNiO3 perovskites journal, March 2000

Oxides Which Show a Metal-to-Insulator Transition at the Neel Temperature journal, July 1959

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set journal, October 1996

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

First-Principles Calculation of Atomic Forces and Structural Distortions in Strongly Correlated Materials journal, April 2014

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

Photoinduced Melting of Antiferromagnetic Order in La 0.5 Sr 1.5 MnO 4 Measured Using Ultrafast Resonant Soft X-Ray Diffraction journal, May 2011

Characterizing a strain-driven phase transition in VO2 journal, March 2010

TRIQS: A toolbox for research on interacting quantum systems journal, November 2015

Spin-Orbit Coupling and Electronic Correlations in Sr 2 RuO 4 journal, March 2018

CMR manganites: physics, thin films and devices journal, April 2003

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

TRIQS/CTHYB: A continuous-time quantum Monte Carlo hybridisation expansion solver for quantum impurity problems journal, March 2016

Total energy calculations using DFT+DMFT: Computing the pressure phase diagram of the rare earth nickelates journal, June 2014

Electron Correlation and Ferromagnetism of Transition Metals journal, September 1963

Pressure-Induced Mott Transition and Related Novel Quantum Phenomena in Ca 2 RuO 4 journal, January 2007

Lattice dynamics and the electron-phonon interaction in Ca 2 RuO 4 journal, June 2005

Crystal and magnetic structure of Ca 2 RuO 4 : Magnetoelastic coupling and the metal-insulator transition journal, July 1998

Ab initiomolecular dynamics for liquid metals journal, January 1993

Hallmarks of Hunds coupling in the Mott insulator Ca2RuO4 journal, May 2017

Raman Scattering from Higgs Mode Oscillations in the Two-Dimensional Antiferromagnet Ca 2 RuO 4 journal, August 2017

Hubbard model at infinite dimensions: Thermodynamic and transport properties journal, February 1993

Critical features of colossal magnetoresistive manganites journal, February 2006

Theory of ferromagnetism in vanadium-oxide based perovskites journal, April 2013

Double Exchange Alone Does Not Explain the Resistivity of La 1 − x Sr x MnO 3 journal, June 1995

Ferromagnetism and correlation strength in cubic barium ruthenate in comparison to strontium and calcium ruthenate: A dynamical mean-field study journal, April 2016

Crystal Distortion in Magnetic Compounds journal, May 1960

Electronic correlations, magnetism, and Hund's rule coupling in the ruthenium perovskites SrRuO 3 and CaRuO 3 journal, May 2015

High-pressure diffraction studies on Ca 2 RuO 4 journal, September 2005

Charge disproportionation in R NiO 3 perovskites ( R = rare earth) from high-resolution x-ray absorption spectroscopy journal, December 2009

Maximally localized Wannier functions for entangled energy bands journal, December 2001

Transport properties, thermodynamic properties, and electronic structure of SrRuO 3 journal, February 1996

Title: Lattice Energetics and Correlation-Driven Metal-Insulator Transitions: The Case of ${Ca}_{2} {RuO}_{4}$

Change of Electronic Structure in ${C a}_{2} {R u O}_{4}$ Induced by Orbital Ordering
journal, July 2003

Control of the electronic phase of a manganite by mode-selective vibrational excitation
journal, September 2007

Spectral Evolution in $(C a, S r) {RuO}_{3}$ near the Mott-Hubbard Transition
journal, June 1999

Ca ₂ RuO ₄ : New Mott Insulators of Layered Ruthenate
journal, July 1997

Structural and magnetic aspects of the metal-insulator transition in ${Ca}_{2 - x} {Sr}_{x} {RuO}_{4}$
journal, April 2001

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996

Crystal and magnetic structure of ${LaTiO}_{3} :$ Evidence for nondegenerate $t_{2 g}$ orbitals
journal, August 2003

Transient photoinduced ‘hidden’ phase in a manganite
journal, January 2011

Nature of the Mott Transition in ${Ca}_{2} {RuO}_{4}$
journal, June 2010

Mott Transition and Suppression of Orbital Fluctuations in Orthorhombic $3 d^{1}$ Perovskites
journal, April 2004

Mott Transition in Cr-Doped $V_{2}$ $O_{3}$
journal, December 1969

Tailoring the electronic properties of Ca ₂ RuO ₄ via epitaxial strain
journal, January 2018

Metal-insulator transitions
journal, October 1998

Charge disproportionation in RNiO3 perovskites
journal, March 2000

Oxides Which Show a Metal-to-Insulator Transition at the Neel Temperature
journal, July 1959

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996

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

First-Principles Calculation of Atomic Forces and Structural Distortions in Strongly Correlated Materials
journal, April 2014

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

Photoinduced Melting of Antiferromagnetic Order in ${La}_{0.5} {Sr}_{1.5} {MnO}_{4}$ Measured Using Ultrafast Resonant Soft X-Ray Diffraction
journal, May 2011

Characterizing a strain-driven phase transition in VO2
journal, March 2010

TRIQS: A toolbox for research on interacting quantum systems
journal, November 2015

Spin-Orbit Coupling and Electronic Correlations in ${Sr}_{2} {RuO}_{4}$
journal, March 2018

CMR manganites: physics, thin films and devices
journal, April 2003

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

TRIQS/CTHYB: A continuous-time quantum Monte Carlo hybridisation expansion solver for quantum impurity problems
journal, March 2016

Total energy calculations using DFT+DMFT: Computing the pressure phase diagram of the rare earth nickelates
journal, June 2014

Electron Correlation and Ferromagnetism of Transition Metals
journal, September 1963

Pressure-Induced Mott Transition and Related Novel Quantum Phenomena in Ca ₂ RuO ₄
journal, January 2007

Lattice dynamics and the electron-phonon interaction in ${Ca}_{2} {RuO}_{4}$
journal, June 2005

Crystal and magnetic structure of ${Ca}_{2} {RuO}_{4} :$ Magnetoelastic coupling and the metal-insulator transition
journal, July 1998

Ab initiomolecular dynamics for liquid metals
journal, January 1993

Hallmarks of Hunds coupling in the Mott insulator Ca2RuO4
journal, May 2017

Raman Scattering from Higgs Mode Oscillations in the Two-Dimensional Antiferromagnet ${Ca}_{2} {RuO}_{4}$
journal, August 2017

Hubbard model at infinite dimensions: Thermodynamic and transport properties
journal, February 1993

Critical features of colossal magnetoresistive manganites
journal, February 2006

Theory of ferromagnetism in vanadium-oxide based perovskites
journal, April 2013

Double Exchange Alone Does Not Explain the Resistivity of ${La}_{1}_{- x} {Sr}_{x} {MnO}_{3}$
journal, June 1995

Ferromagnetism and correlation strength in cubic barium ruthenate in comparison to strontium and calcium ruthenate: A dynamical mean-field study
journal, April 2016

Crystal Distortion in Magnetic Compounds
journal, May 1960

Electronic correlations, magnetism, and Hund's rule coupling in the ruthenium perovskites ${SrRuO}_{3}$ and ${CaRuO}_{3}$
journal, May 2015

High-pressure diffraction studies on ${Ca}_{2} {RuO}_{4}$
journal, September 2005

Charge disproportionation in $R {NiO}_{3}$ perovskites ( $R = rare$ earth) from high-resolution x-ray absorption spectroscopy
journal, December 2009

Maximally localized Wannier functions for entangled energy bands
journal, December 2001

Transport properties, thermodynamic properties, and electronic structure of ${SrRuO}_{3}$
journal, February 1996