skip to main content
DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

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

Authors:
;
Publication Date:
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.
Han, Qiang, & Millis, Andrew. Lattice Energetics and Correlation-Driven Metal-Insulator Transitions: The Case of Ca 2 RuO 4. United States. doi:10.1103/PhysRevLett.121.067601.
Han, Qiang, and Millis, Andrew. Wed . "Lattice Energetics and Correlation-Driven Metal-Insulator Transitions: The Case of Ca 2 RuO 4". United States. doi:10.1103/PhysRevLett.121.067601.
@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}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
DOI: 10.1103/PhysRevLett.121.067601

Citation Metrics:
Cited by: 7 works
Citation information provided by
Web of Science

Save / Share:

Works referenced in this record:

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

  • 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


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


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

  • 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


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

  • 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


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

  • 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

Density functional plus dynamical mean-field theory of the spin-crossover molecule Fe(phen) 2 (NCS) 2
journal, June 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

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

Charge Disproportionation in R NiO 3 Perovskites: Simultaneous Metal-Insulator and Structural Transition in YNiO 3
journal, May 1999

  • Alonso, J. A.; García-Muñoz, J. L.; Fernández-Díaz, M. T.
  • Physical Review Letters, Vol. 82, Issue 19
  • DOI: 10.1103/PhysRevLett.82.3871

Forces for structural optimizations in correlated materials within a DFT+embedded DMFT functional approach
journal, November 2016


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


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

  • 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


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


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


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