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:: 2018-08-08

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         = {2018},

  month        = {8}

}

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Works referenced in this record:

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

Jung, J. H.; Fang, Z.; He, J. P.
Physical Review Letters, Vol. 91, Issue 5
DOI: 10.1103/PhysRevLett.91.056403

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

Rini, Matteo; Tobey, Ra'anan; Dean, Nicky
Nature, Vol. 449, Issue 7158
DOI: 10.1038/nature06119

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

Ahn, J. S.; Bak, J.; Choi, H. S.
Physical Review Letters, Vol. 82, Issue 26
DOI: 10.1103/PhysRevLett.82.5321

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

Nakatsuji, Satoru; Ikeda, Shin-ichi; Maeno, Yoshiteru
Journal of the Physical Society of Japan, Vol. 66, Issue 7
DOI: 10.1143/JPSJ.66.1868

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

Friedt, O.; Braden, M.; André, G.
Physical Review B, Vol. 63, Issue 17
DOI: 10.1103/PhysRevB.63.174432

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

Kresse, G.; Furthmüller, J.
Computational Materials Science, Vol. 6, Issue 1, p. 15-50
DOI: 10.1016/0927-0256(96)00008-0

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

Cwik, M.; Lorenz, T.; Baier, J.
Physical Review B, Vol. 68, Issue 6
DOI: 10.1103/PhysRevB.68.060401

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

Ichikawa, Hirohiko; Nozawa, Shunsuke; Sato, Tokushi
Nature Materials, Vol. 10, Issue 2
DOI: 10.1038/nmat2929

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

Gorelov, E.; Karolak, M.; Wehling, T. O.
Physical Review Letters, Vol. 104, Issue 22
DOI: 10.1103/PhysRevLett.104.226401

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

Pavarini, E.; Biermann, S.; Poteryaev, A.
Physical Review Letters, Vol. 92, Issue 17
DOI: 10.1103/PhysRevLett.92.176403

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

McWhan, D. B.; Rice, T. M.; Remeika, J. P.
Physical Review Letters, Vol. 23, Issue 24
DOI: 10.1103/PhysRevLett.23.1384

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

Dietl, C.; Sinha, S. K.; Christiani, G.
Applied Physics Letters, Vol. 112, Issue 3
DOI: 10.1063/1.5007680

Metal-insulator transitions
journal, October 1998

Imada, Masatoshi; Fujimori, Atsushi; Tokura, Yoshinori
Reviews of Modern Physics, Vol. 70, Issue 4, p. 1039-1263
DOI: 10.1103/RevModPhys.70.1039

Charge disproportionation in RNiO3 perovskites
journal, March 2000

Fernández-Dı́az, M. T.; Alonso, J. A.; Martı́nez-Lope, M. J.
Physica B: Condensed Matter, Vol. 276-278
DOI: 10.1016/S0921-4526(99)01416-7

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

Morin, F. J.
Physical Review Letters, Vol. 3, Issue 1
DOI: 10.1103/PhysRevLett.3.34

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

Kresse, G.; Furthmüller, J.
Physical Review B, Vol. 54, Issue 16, p. 11169-11186
DOI: 10.1103/PhysRevB.54.11169

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

Kresse, G.; Joubert, D.
Physical Review B, Vol. 59, Issue 3, p. 1758-1775
DOI: 10.1103/PhysRevB.59.1758

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

Leonov, I.; Anisimov, V. I.; Vollhardt, D.
Physical Review Letters, Vol. 112, Issue 14
DOI: 10.1103/PhysRevLett.112.146401

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

Marzari, Nicola; Vanderbilt, David
Physical Review B, Vol. 56, Issue 20
DOI: 10.1103/PhysRevB.56.12847

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

Ehrke, H.; Tobey, R. I.; Wall, S.
Physical Review Letters, Vol. 106, Issue 21
DOI: 10.1103/PhysRevLett.106.217401

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

Kikuzuki, T.; Lippmaa, M.
Applied Physics Letters, Vol. 96, Issue 13
DOI: 10.1063/1.3380599

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

Parcollet, Olivier; Ferrero, Michel; Ayral, Thomas
Computer Physics Communications, Vol. 196
DOI: 10.1016/j.cpc.2015.04.023

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

Kim, Minjae; Mravlje, Jernej; Ferrero, Michel
Physical Review Letters, Vol. 120, Issue 12
DOI: 10.1103/PhysRevLett.120.126401

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

Haghiri-Gosnet, A-M; Renard, J-P
Journal of Physics D: Applied Physics, Vol. 36, Issue 8
DOI: 10.1088/0022-3727/36/8/201

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

Torrance, J.; Lacorre, P.; Nazzal, A.
Physical Review B, Vol. 45, Issue 14
DOI: 10.1103/PhysRevB.45.8209

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

Seth, Priyanka; Krivenko, Igor; Ferrero, Michel
Computer Physics Communications, Vol. 200
DOI: 10.1016/j.cpc.2015.10.023

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

Park, Hyowon; Millis, Andrew J.; Marianetti, Chris A.
Physical Review B, Vol. 89, Issue 24
DOI: 10.1103/PhysRevB.89.245133

Electron Correlation and Ferromagnetism of Transition Metals
journal, September 1963

Kanamori, Junjiro
Progress of Theoretical Physics, Vol. 30, Issue 3
DOI: 10.1143/PTP.30.275

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

Nakamura, Fumihiko
Journal of the Physical Society of Japan, Vol. 76, Issue Suppl.A
DOI: 10.1143/JPSJS.76SA.96

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

Rho, H.; Cooper, S. L.; Nakatsuji, S.
Physical Review B, Vol. 71, Issue 24
DOI: 10.1103/PhysRevB.71.245121

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

Braden, M.; André, G.; Nakatsuji, S.
Physical Review B, Vol. 58, Issue 2
DOI: 10.1103/PhysRevB.58.847

Ab initiomolecular dynamics for liquid metals
journal, January 1993

Kresse, G.; Hafner, J.
Physical Review B, Vol. 47, Issue 1, p. 558-561
DOI: 10.1103/PhysRevB.47.558

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

Sutter, D.; Fatuzzo, C. G.; Moser, S.
Nature Communications, Vol. 8, Issue 1
DOI: 10.1038/ncomms15176

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

Souliou, Sofia-Michaela; Chaloupka, Jiří; Khaliullin, Giniyat
Physical Review Letters, Vol. 119, Issue 6
DOI: 10.1103/PhysRevLett.119.067201

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

Pruschke, Th.; Cox, D. L.; Jarrell, M.
Physical Review B, Vol. 47, Issue 7
DOI: 10.1103/PhysRevB.47.3553

Critical features of colossal magnetoresistive manganites
journal, February 2006

Tokura, Y.
Reports on Progress in Physics, Vol. 69, Issue 3
DOI: 10.1088/0034-4885/69/3/R06

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

Dang, Hung T.; Millis, Andrew J.
Physical Review B, Vol. 87, Issue 15
DOI: 10.1103/PhysRevB.87.155127

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

Millis, A. J.; Littlewood, P. B.; Shraiman, B. I.
Physical Review Letters, Vol. 74, Issue 25
DOI: 10.1103/PhysRevLett.74.5144

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

Han, Qiang; Dang, Hung T.; Millis, A. J.
Physical Review B, Vol. 93, Issue 15
DOI: 10.1103/PhysRevB.93.155103

Crystal Distortion in Magnetic Compounds
journal, May 1960

Kanamori, Junjiro
Journal of Applied Physics, Vol. 31, Issue 5
DOI: 10.1063/1.1984590

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

Dang, Hung T.; Mravlje, Jernej; Georges, Antoine
Physical Review B, Vol. 91, Issue 19
DOI: 10.1103/PhysRevB.91.195149

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

Steffens, P.; Friedt, O.; Alireza, P.
Physical Review B, Vol. 72, Issue 9
DOI: 10.1103/PhysRevB.72.094104

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

Medarde, M.; Dallera, C.; Grioni, M.
Physical Review B, Vol. 80, Issue 24
DOI: 10.1103/PhysRevB.80.245105

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

Souza, Ivo; Marzari, Nicola; Vanderbilt, David
Physical Review B, Vol. 65, Issue 3
DOI: 10.1103/PhysRevB.65.035109

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

Allen, P. B.; Berger, H.; Chauvet, O.
Physical Review B, Vol. 53, Issue 8
DOI: 10.1103/PhysRevB.53.4393

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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