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Title: 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:
ORCiD logo [1];  [2];  [1];  [3]; ORCiD logo [2];  [1]
  1. Rutgers Univ., Piscataway, NJ (United States). Dept. of Physics and Astronomy
  2. Ludwig Maximilian Univ. of Munich, Munich (Germany). Physics Dept. Arnold Sommerfeld Center for Theoretical Physics and Center for NanoScience
  3. 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}
}

Journal Article:
Free Publicly Available Full Text
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Figures / Tables:

Fig. 1 Fig. 1: Schematic sketch of the behavior of four characteristic temperature scales. $T^{onset}_{orb}$ (green dashed), $T^{onset}_{spin}$ (green solid), $T^{cmp}_{orb}$ (red dashed), $T^{cmp}_{spin}$ (red solid) mark the onset and the completion of screening of orbital and spin degrees of freedom, respectively, as functions of the bare gap, $Δ$b= U− 2J, betweenmore » the upper and lower Hubbard side band. White (gray) background indicates Hund (Mott) behavior at small (large) $Δ$b. A crossover between both (oblique gray lines) is found at intermediate $Δ$b. Open symbols on the left give the values of these scales as obtained from DMFT+NRG calculations for our three-band Hubbard–Hund model, with J= 1 and U= 3 (green), U= 5.5 (gray), and U= 6.5 (yellow). On the right, closed symbols give corresponding values obtained from DFT+DMFT calculations for the materials Sr2RuO4 (green) and V2O3 (yellow). Left: cartoon of two-stage screening for three local levels with J≠ 0, containing two electrons with total spin S= 1: with decreasing temperature, first orbital screening of the hole occurs, whereby a delocalized spin 1/2 combines with the local spin 1 to yield an orbital singlet with spin 3/2; then spin screening occurs, yielding an orbital and spin singlet. The energy scales characterizing the two screening stages lie far apart for Hund systems, but close together for Mott systems. Insets: cartoons of the local density of states, A($ω$), for a Hund system (left) and a Mott system close to the Mott transition (right), summarizing the essential differences in the evolution of the quasiparticle peak with decreasing temperature (purple to yellow to blue)« less

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Works referencing / citing this record:

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Figures/Tables have been extracted from DOE-funded journal article accepted manuscripts.