Signatures of Mottness and Hundness in archetypal correlated metals
Abstract
Physical properties of multi-orbital materials depend not only on the strength of the effective interactions among the valence electrons but also on their type. Strong correlations are caused by either Mott physics that captures the Coulomb repulsion among charges, or Hund physics that aligns the spins in different orbitals. We identify four energy scales marking the onset and the completion of screening in orbital and spin channels. The differences in these scales, which are manifest in the temperature dependence of the local spectrum and of the charge, spin and orbital susceptibilities, provide clear signatures distinguishing Mott and Hund physics. We illustrate these concepts with realistic studies of two archetypal strongly correlated materials, and corroborate the generality of our conclusions with a model Hamiltonian study.
- Authors:
-
- Rutgers Univ., Piscataway, NJ (United States). Dept. of Physics and Astronomy
- Ludwig Maximilian Univ. of Munich, Munich (Germany). Physics Dept. Arnold Sommerfeld Center for Theoretical Physics and Center for NanoScience
- Ludwig Maximilian Univ. of Munich, Munich (Germany). Physics Dept. Arnold Sommerfeld Center for Theoretical Physics and Center for NanoScience; Brookhaven National Lab. (BNL), Upton, NY (United States). Condensed Matter Physics and Materials Science Dept.
- Publication Date:
- Research Org.:
- Brookhaven National Laboratory (BNL), Upton, NY (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC)
- OSTI Identifier:
- 1624155
- Grant/Contract Number:
- SC0012704
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Nature Communications
- Additional Journal Information:
- Journal Volume: 10; Journal Issue: 1; Journal ID: ISSN 2041-1723
- Publisher:
- Nature Publishing Group
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; Science & Technology - Other Topics
Citation Formats
Deng, Xiaoyu, Stadler, Katharina M., Haule, Kristjan, Weichselbaum, Andreas, von Delft, Jan, and Kotliar, Gabriel. Signatures of Mottness and Hundness in archetypal correlated metals. United States: N. p., 2019.
Web. doi:10.1038/s41467-019-10257-2.
Deng, Xiaoyu, Stadler, Katharina M., Haule, Kristjan, Weichselbaum, Andreas, von Delft, Jan, & Kotliar, Gabriel. Signatures of Mottness and Hundness in archetypal correlated metals. United States. https://doi.org/10.1038/s41467-019-10257-2
Deng, Xiaoyu, Stadler, Katharina M., Haule, Kristjan, Weichselbaum, Andreas, von Delft, Jan, and Kotliar, Gabriel. Thu .
"Signatures of Mottness and Hundness in archetypal correlated metals". United States. https://doi.org/10.1038/s41467-019-10257-2. https://www.osti.gov/servlets/purl/1624155.
@article{osti_1624155,
title = {Signatures of Mottness and Hundness in archetypal correlated metals},
author = {Deng, Xiaoyu and Stadler, Katharina M. and Haule, Kristjan and Weichselbaum, Andreas and von Delft, Jan and Kotliar, Gabriel},
abstractNote = {Physical properties of multi-orbital materials depend not only on the strength of the effective interactions among the valence electrons but also on their type. Strong correlations are caused by either Mott physics that captures the Coulomb repulsion among charges, or Hund physics that aligns the spins in different orbitals. We identify four energy scales marking the onset and the completion of screening in orbital and spin channels. The differences in these scales, which are manifest in the temperature dependence of the local spectrum and of the charge, spin and orbital susceptibilities, provide clear signatures distinguishing Mott and Hund physics. We illustrate these concepts with realistic studies of two archetypal strongly correlated materials, and corroborate the generality of our conclusions with a model Hamiltonian study.},
doi = {10.1038/s41467-019-10257-2},
journal = {Nature Communications},
number = 1,
volume = 10,
place = {United States},
year = {Thu Jun 20 00:00:00 EDT 2019},
month = {Thu Jun 20 00:00:00 EDT 2019}
}
Figures / Tables:
Works referenced in this record:
Spin and orbital occupation and phase transitions in
journal, May 2000
- Park, J. -H.; Tjeng, L. H.; Tanaka, A.
- Physical Review B, Vol. 61, Issue 17
Normal-state magnetoresistance of
journal, March 1998
- Hussey, N. E.; Mackenzie, A. P.; Cooper, J. R.
- Physical Review B, Vol. 57, Issue 9
Hundness versus Mottness in a three-band Hubbard–Hund model: On the origin of strong correlations in Hund metals
journal, June 2019
- Stadler, K. M.; Kotliar, G.; Weichselbaum, A.
- Annals of Physics, Vol. 405
Mott-Hubbard transition in V 2 O 3 revisited
journal, March 2013
- Hansmann, P.; Toschi, A.; Sangiovanni, G.
- physica status solidi (b), Vol. 250, Issue 7
Evidence for the constancy of in the Mott transition of V O
journal, August 2011
- Fujiwara, H.; Sekiyama, A.; Mo, S. -K.
- Physical Review B, Vol. 84, Issue 7
Spin-1 effective Hamiltonian with three degenerate orbitals: An application to the case of V2O3
journal, January 2002
- Di Matteo, S.; Perkins, N.; Natoli, C.
- Physical Review B, Vol. 65, Issue 5
Effect of chromium doping on the correlated electronic structure of
journal, September 2014
- Grieger, Daniel; Lechermann, Frank
- Physical Review B, Vol. 90, Issue 11
Prominent Quasiparticle Peak in the Photoemission Spectrum of the Metallic Phase of
journal, May 2003
- Mo, S. -K.; Denlinger, J. D.; Kim, H. -D.
- Physical Review Letters, Vol. 90, Issue 18
Janus-Faced Influence of Hund’s Rule Coupling in Strongly Correlated Materials
journal, December 2011
- de’ Medici, Luca; Mravlje, Jernej; Georges, Antoine
- Physical Review Letters, Vol. 107, Issue 25
Thermopower and Entropy: Lessons from
journal, July 2016
- Mravlje, Jernej; Georges, Antoine
- Physical Review Letters, Vol. 117, Issue 3
Electronic structure calculations with dynamical mean-field theory
journal, August 2006
- Kotliar, G.; Savrasov, S. Y.; Haule, K.
- Reviews of Modern Physics, Vol. 78, Issue 3
Midgap states in doped Mott insulators in infinite dimensions
journal, December 1995
- Fisher, Daniel S.; Kotliar, G.; Moeller, G.
- Physical Review B, Vol. 52, Issue 24
Real-Time Dynamics in Quantum-Impurity Systems: A Time-Dependent Numerical Renormalization-Group Approach
journal, October 2005
- Anders, Frithjof B.; Schiller, Avraham
- Physical Review Letters, Vol. 95, Issue 19
Dynamical mean-field theory within the full-potential methods: Electronic structure of , , and
journal, May 2010
- Haule, Kristjan; Yee, Chuck-Hou; Kim, Kyoo
- Physical Review B, Vol. 81, Issue 19
Quasiparticle evolution and pseudogap formation in : An infrared spectroscopy study
journal, March 2008
- Baldassarre, L.; Perucchi, A.; Nicoletti, D.
- Physical Review B, Vol. 77, Issue 11
Tuning emergent magnetism in a Hund's impurity
journal, September 2015
- Khajetoorians, A. A.; Valentyuk, M.; Steinbrecher, M.
- Nature Nanotechnology, Vol. 10, Issue 11
Coherence–incoherence crossover in the normal state of iron oxypnictides and importance of Hund's rule coupling
journal, February 2009
- Haule, K.; Kotliar, G.
- New Journal of Physics, Vol. 11, Issue 2
How Bad Metals Turn Good: Spectroscopic Signatures of Resilient Quasiparticles
journal, February 2013
- Deng, Xiaoyu; Mravlje, Jernej; Žitko, Rok
- Physical Review Letters, Vol. 110, Issue 8
Numerical renormalization group method for quantum impurity systems
journal, April 2008
- Bulla, Ralf; Costi, Theo A.; Pruschke, Thomas
- Reviews of Modern Physics, Vol. 80, Issue 2
Transport Properties of Metallic Ruthenates: A Investigation
journal, June 2016
- Deng, Xiaoyu; Haule, Kristjan; Kotliar, Gabriel
- Physical Review Letters, Vol. 116, Issue 25
Continuous-Time Solver for Quantum Impurity Models
journal, August 2006
- Werner, Philipp; Comanac, Armin; de’ Medici, Luca
- Physical Review Letters, Vol. 97, Issue 7
Band Structure and Terahertz Optical Conductivity of Transition Metal Oxides: Theory and Application to
journal, September 2015
- Dang, Hung T.; Mravlje, Jernej; Georges, Antoine
- Physical Review Letters, Vol. 115, Issue 10
Non-abelian symmetries in tensor networks: A quantum symmetry space approach
journal, December 2012
- Weichselbaum, Andreas
- Annals of Physics, Vol. 327, Issue 12
Determining the Surface-To-Bulk Progression in the Normal-State Electronic Structure of by Angle-Resolved Photoemission and Density Functional Theory
journal, March 2013
- Veenstra, C. N.; Zhu, Z. -H.; Ludbrook, B.
- Physical Review Letters, Vol. 110, Issue 9
Metal-insulator transitions
journal, June 1991
- Paesler, Michael
- Journal of Non-Crystalline Solids, Vol. 130, Issue 1
High-Energy Anomaly in the Band Dispersion of the Ruthenate Superconductor
journal, August 2012
- Iwasawa, H.; Yoshida, Y.; Hase, I.
- Physical Review Letters, Vol. 109, Issue 6
New magnetic phase diagram of (Sr,Ca)2RuO4
journal, February 2012
- Carlo, J. P.; Goko, T.; Gat-Malureanu, I. M.
- Nature Materials, Vol. 11, Issue 4
Orbital-selective insulator-metal transition in under external pressure
journal, January 2006
- Laad, M. S.; Craco, L.; Müller-Hartmann, E.
- Physical Review B, Vol. 73, Issue 4
Enhanced crystal-field splitting and orbital-selective coherence induced by strong correlations in
journal, August 2007
- Poteryaev, Alexander I.; Tomczak, Jan M.; Biermann, Silke
- Physical Review B, Vol. 76, Issue 8
Quantum Monte Carlo impurity solver for cluster dynamical mean-field theory and electronic structure calculations with adjustable cluster base
journal, April 2007
- Haule, Kristjan
- Physical Review B, Vol. 75, Issue 15
Mott Transition in Cr-Doped
journal, December 1969
- McWhan, D. B.; Rice, T. M.; Remeika, J. P.
- Physical Review Letters, Vol. 23, Issue 24
Metal-insulator transitions
journal, October 1998
- Imada, Masatoshi; Fujimori, Atsushi; Tokura, Yoshinori
- Reviews of Modern Physics, Vol. 70, Issue 4, p. 1039-1263
Quasiparticles at the Mott Transition in : Wave Vector Dependence and Surface Attenuation
journal, February 2009
- Rodolakis, F.; Mansart, B.; Papalazarou, E.
- Physical Review Letters, Vol. 102, Issue 6
Cerium Volume Collapse: Results from the Merger of Dynamical Mean-Field Theory and Local Density Approximation
text, January 2001
- Held, K.; McMahan, A. K.; Scalettar, R. T.
- The American Physical Society
Quasi-two-dimensional Fermi liquid properties of the unconventional superconductor Sr 2 RuO 4
journal, November 2003
- Bergemann, C.; Mackenzie, A. P.; Julian, S. R.
- Advances in Physics, Vol. 52, Issue 7
Spin precession and real-time dynamics in the Kondo model: Time-dependent numerical renormalization-group study
journal, December 2006
- Anders, Frithjof B.; Schiller, Avraham
- Physical Review B, Vol. 74, Issue 24
Kinetic frustration and the nature of the magnetic and paramagnetic states in iron pnictides and iron chalcogenides
journal, September 2011
- Yin, Z. P.; Haule, K.; Kotliar, G.
- Nature Materials, Vol. 10, Issue 12
Local susceptibility and Kondo scaling in the presence of finite bandwidth
journal, February 2014
- Hanl, Markus; Weichselbaum, Andreas
- Physical Review B, Vol. 89, Issue 7
Metal-Insulator Transitions in Pure and Doped
journal, March 1973
- McWhan, D. B.; Menth, A.; Remeika, J. P.
- Physical Review B, Vol. 7, Issue 5
Cerium Volume Collapse: Results from the Merger of Dynamical Mean-Field Theory and Local Density Approximation
journal, December 2001
- Held, K.; McMahan, A. K.; Scalettar, R. T.
- Physical Review Letters, Vol. 87, Issue 27
Analytic theory of Hund's metals: A renormalization group perspective
journal, January 2015
- Aron, Camille; Kotliar, Gabriel
- Physical Review B, Vol. 91, Issue 4
Superconductivity in a layered perovskite without copper
journal, December 1994
- Maeno, Y.; Hashimoto, H.; Yoshida, K.
- Nature, Vol. 372, Issue 6506
Dynamical mean-field theory of strongly correlated fermion systems and the limit of infinite dimensions
journal, January 1996
- Georges, Antoine; Kotliar, Gabriel; Krauth, Werner
- Reviews of Modern Physics, Vol. 68, Issue 1
Strong Correlations from Hund’s Coupling
journal, April 2013
- Georges, Antoine; Medici, Luca de'; Mravlje, Jernej
- Annual Review of Condensed Matter Physics, Vol. 4, Issue 1
Heat Capacity of Vanadium Oxides at Low Temperature
journal, January 1973
- McWhan, D. B.; Remeika, J. P.; Maita, J. P.
- Physical Review B, Vol. 7, Issue 1
Fractional power-law behavior and its origin in iron-chalcogenide and ruthenate superconductors: Insights from first-principles calculations
journal, November 2012
- Yin, Z. P.; Haule, K.; Kotliar, G.
- Physical Review B, Vol. 86, Issue 19
Orbitally Degenerate Spin-1 Model for Insulating
journal, August 2000
- Mila, F.; Shiina, R.; Zhang, F. -C.
- Physical Review Letters, Vol. 85, Issue 8
Low-temperature magnetic ordering and structural distortions in vanadium sesquioxide
journal, August 2015
- Grieger, Daniel; Fabrizio, Michele
- Physical Review B, Vol. 92, Issue 7
Shining Light on Transition-Metal Oxides: Unveiling the Hidden Fermi Liquid
journal, December 2014
- Deng, Xiaoyu; Sternbach, Aaron; Haule, Kristjan
- Physical Review Letters, Vol. 113, Issue 24
Spin Freezing Transition and Non-Fermi-Liquid Self-Energy in a Three-Orbital Model
journal, October 2008
- Werner, Philipp; Gull, Emanuel; Troyer, Matthias
- Physical Review Letters, Vol. 101, Issue 16
Electronic correlations, magnetism, and Hund's rule coupling in the ruthenium perovskites and
journal, May 2015
- Dang, Hung T.; Mravlje, Jernej; Georges, Antoine
- Physical Review B, Vol. 91, Issue 19
Evidence for correlation effects in from resonant and x-ray photoemission spectroscopy
journal, April 1996
- Yokoya, T.; Chainani, A.; Takahashi, T.
- Physical Review B, Vol. 53, Issue 13
Electronic structure calculations using dynamical mean field theory
journal, November 2007
- Held, K.
- Advances in Physics, Vol. 56, Issue 6
Quasiparticle evolution and pseudogap formation in V2O3: An infrared spectroscopy study
text, January 2007
- Baldassarre, L.; Perucchi, A.; Nicoletti, D.
- arXiv
Kinetic frustration and the nature of the magnetic and paramagnetic states in iron pnictides and iron chalcogenides
text, January 2011
- Yin, Z. P.; Haule, K.; Kotliar, G.
- arXiv
Janus-faced influence of the Hund's rule coupling in strongly correlated materials
text, January 2011
- Medici, Luca de'; Mravlje, Jernej; Georges, Antoine
- arXiv
Local susceptibility and Kondo scaling in the presence of finite bandwidth
text, January 2013
- Hanl, Markus; Weichselbaum, Andreas
- arXiv
Analytic theory of Hund's metals: a renormalization group perspective
text, January 2014
- Aron, Camille; Kotliar, Gabriel
- arXiv
Shining light on transition metal oxides: unveiling the hidden Fermi Liquid
text, January 2014
- Deng, Xiaoyu; Sternbach, Aaron; Haule, Kristjan
- arXiv
Band Structure and Terahertz Optical Conductivity of Transition Metal Oxides: Theory and Application to CaRuO$_3$
text, January 2014
- Dang, Hung T.; Mravlje, Jernej; Georges, Antoine
- arXiv
Tuning emergent magnetism in a Hund's impurity
text, January 2016
- Khajetoorians, A. A.; Valentyuk, M.; Steinbrecher, M.
- arXiv
Hundness versus Mottness in a three-band Hubbard-Hund model: On the origin of strong correlations in Hund metals
text, January 2018
- Stadler, Katharina M.; Kotliar, Gabriel; Weichselbaum, Andreas
- arXiv
Spin-1 effective Hamiltonian with three degenerate orbitals: An application to the case of V_2O_3
text, January 2001
- Di Matteo, S.; Perkins, N. B.; Natoli, C. R.
- arXiv
Prominent quasi-particle peak in the photoemission spectrum of the metallic phase of V_2O_3
text, January 2002
- Mo, S. -K.; Denlinger, J. D.; Kim, H. -D.
- arXiv
Electronic Structure Calculations using Dynamical Mean Field Theory
text, January 2005
- Held, K.
- arXiv
A continuous-time solver for quantum impurity models
text, January 2005
- Werner, Philipp; Comanac, Armin; De Medici, Luca
- arXiv
A Numerical Renormalization Group approach to Green's Functions for Quantum Impurity Models
text, January 2006
- Peters, Robert; Pruschke, Thomas; Anders, Frithjof B.
- arXiv
The numerical renormalization group method for quantum impurity systems
text, January 2007
- Bulla, Ralf; Costi, Theo; Pruschke, Thomas
- arXiv
Kinetic frustration and the nature of the magnetic and paramagnetic states in iron pnictides and iron chalcogenides
journal, September 2011
- Yin, Z. P.; Haule, K.; Kotliar, G.
- Nature Materials, Vol. 10, Issue 12
Electron-electron interaction and localization in d and f transition metals
journal, June 1988
- van der Marel, D.; Sawatzky, G. A.
- Physical Review B, Vol. 37, Issue 18
Numerical renormalization group approach to Green’s functions for quantum impurity models
journal, December 2006
- Peters, Robert; Pruschke, Thomas; Anders, Frithjof B.
- Physical Review B, Vol. 74, Issue 24
Publisher's Note: Analytic theory of Hund's metals: A renormalization group perspective [Phys. Rev. B91, 041110(R) (2015)]
journal, March 2015
- Aron, Camille; Kotliar, Gabriel
- Physical Review B, Vol. 91, Issue 11
Coherence-Incoherence Crossover and the Mass-Renormalization Puzzles in
journal, March 2011
- Mravlje, Jernej; Aichhorn, Markus; Miyake, Takashi
- Physical Review Letters, Vol. 106, Issue 9
Dynamical Mean-Field Theory Plus Numerical Renormalization-Group Study of Spin-Orbital Separation in a Three-Band Hund Metal
journal, September 2015
- Stadler, K. M.; Yin, Z. P.; von Delft, J.
- Physical Review Letters, Vol. 115, Issue 13
Free Energy from Stationary Implementation of the Functional
journal, December 2015
- Haule, Kristjan; Birol, Turan
- Physical Review Letters, Vol. 115, Issue 25
Sum-Rule Conserving Spectral Functions from the Numerical Renormalization Group
journal, August 2007
- Weichselbaum, Andreas; von Delft, Jan
- Physical Review Letters, Vol. 99, Issue 7
Cerium Volume Collapse: Results from the Merger of Dynamical Mean-Field Theory and Local Density Approximation
text, January 2001
- Held, K.; McMahan, A. K.; Scalettar, R. T.
- The American Physical Society
Coherence-incoherence crossover in the normal state of iron-oxypnictides and importance of the Hund's rule coupling
text, January 2008
- Haule, K.; Kotliar, G.
- arXiv
Kondo resonance narrowing in d- and f-electron systems
text, January 2009
- Nevidomskyy, Andriy H.; Coleman, P.
- arXiv
Janus-faced influence of the Hund's rule coupling in strongly correlated materials
text, January 2011
- Medici, Luca de'; Mravlje, Jernej; Georges, Antoine
- arXiv
How chromium doping affects the correlated electronic structure of V2O3
text, January 2014
- Grieger, Daniel; Lechermann, Frank
- arXiv
Transport properties of Metallic Ruthenates: a DFT+DMFT investigation
text, January 2015
- Deng, Xiaoyu; Haule, Kristjan; Kotliar, Gabriel
- arXiv
Real-time dynamics in Quantum Impurity Systems: A Time-dependent Numerical Renormalization Group Approach
text, January 2005
- Anders, Frithjof B.; Schiller, Avraham
- arXiv
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journal, January 2020
- Kugler, Fabian B.; Zingl, Manuel; Strand, Hugo U. R.
- Physical Review Letters, Vol. 124, Issue 1
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journal, November 2019
- Mezio, Alejandro; McKenzie, Ross H.
- Physical Review B, Vol. 100, Issue 20
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journal, August 2019
- Paul, Arpita; Birol, Turan
- Physical Review Materials, Vol. 3, Issue 8
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text, January 2019
- Paul, Arpita; Birol, Turan
- arXiv
Figures / Tables found in this record: