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Title: A microscopic Kondo lattice model for the heavy fermion antiferromagnet CeIn3

Journal Article · · Nature Communications
ORCiD logo [1]; ORCiD logo [2];  [3]; ORCiD logo [4]; ORCiD logo [5];  [4]; ORCiD logo [4]; ORCiD logo [6];  [1]; ORCiD logo [7]; ORCiD logo [6]; ORCiD logo [6]; ORCiD logo [8]; ORCiD logo [9]; ORCiD logo [10];  [4]; ORCiD logo [11]
  1. Paul Scherrer Inst. (PSI), Villigen (Switzerland); Univ. of Zurich (Switzerland)
  2. Zhejiang Univ., Hangzhou (China); Univ. of Tennessee, Knoxville, TN (United States); Univ. of Minnesota, Minneapolis, MN (United States)
  3. Univ. of Tennessee, Knoxville, TN (United States)
  4. Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)
  5. Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
  6. Paul Scherrer Inst., Villigen (Switzerland). Lab. for Neutron Scattering and Imaging
  7. Paul Scherrer Inst. (PSI), Villigen (Switzerland)
  8. Inst. of Physical and Chemical Research (RIKEN), Wako (Japan)
  9. Inst. of Physical and Chemical Research (RIKEN), Wako (Japan); Univ. of Tokyo (Japan)
  10. Univ. of Tennessee, Knoxville, TN (United States); Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
  11. Paul Scherrer Inst. (PSI), Villigen (Switzerland); Univ. of Zurich (Switzerland); Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)
+ Show Author Affiliations

AbstractElectrons at the border of localization generate exotic states of matter across all classes of strongly correlated electron materials and many other quantum materials with emergent functionality. Heavy electron metals are a model example, in which magnetic interactions arise from the opposing limits of localized and itinerant electrons. This remarkable duality is intimately related to the emergence of a plethora of novel quantum matter states such as unconventional superconductivity, electronic-nematic states, hidden order and most recently topological states of matter such as topological Kondo insulators and Kondo semimetals and putative chiral superconductors. The outstanding challenge is that the archetypal Kondo lattice model that captures the underlying electronic dichotomy is notoriously difficult to solve for real materials. Here we show, using the prototypical strongly-correlated antiferromagnet CeIn3, that a multi-orbital periodic Anderson model embedded with input from ab initio bandstructure calculations can be reduced to a simple Kondo-Heisenberg model, which captures the magnetic interactions quantitatively. We validate this tractable Hamiltonian via high-resolution neutron spectroscopy that reproduces accurately the magnetic soft modes in CeIn3, which are believed to mediate unconventional superconductivity. Our study paves the way for a quantitative understanding of metallic quantum states such as unconventional superconductivity.

Research Organization:
Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States); Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF); USDOE Office of Science (SC), Basic Energy Sciences (BES)
Grant/Contract Number:
AC05-00OR22725; SC0016371; 89233218CNA000001
OSTI ID:
2251584
Alternate ID(s):
OSTI ID: 2324917
Report Number(s):
LA-UR-22-21073
Journal Information:
Nature Communications, Vol. 14, Issue 1; ISSN 2041-1723
Publisher:
Nature Publishing GroupCopyright Statement
Country of Publication:
United States
Language:
English

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Figures / Tables (4)

Fig. 1(p. 2)figure Fig. 1
Fig. 2(p. 3)figure Fig. 2
Q, E) obtained by our experiments and calculated via the MO-PAM model, respectively. Solid lines denote the magnon dispersion on the path γ = RΓXMΓ as calculated based on the effective spin interaction $$\tilde{I}$$q [Eq. (3)] derived from the MO-PAM (blue solid line, see text for details), a Heisenberg model with a single nearest-neighbor exchange constant J1 (light green line), and the dispersion inferred from our neutron spectroscopy measurements (symbols). We refer to the inset on the upper right corner of Fig. 2b for the position of the high symmetry positions R, Γ, X, M, and Γ in the Brillouin zone. Experimental data points and error bars represent the location and standard deviation of the Gaussian peaks inferred from neutron spectroscopy data sets with incident neutron energies 3.315 meV (high-resolution, triangles) and 12 meV (high energy, circles), by means of constant-energy and constant-momentum transfer cuts, respectively. All cuts investigated and the corresponding fits are shown in the Supplementary Information. The color-scale provides $$\tilde{χ}$$$$"$ (Q, E) in absolute units of $${μ}^{2}_{B}$$meV-1 along the path γ, as inferred from neutron spectroscopy data taken in the high-energy setting. For details see Methods. c Typical constant-momentum transfer cuts through $$\tilde{χ}$$$$"$ (Q, E) as illustrated for the two positions Q1 and Q2 on the paths XΓ and XM, respectively. Square symbols denote high-intensity neutron spectroscopy data and the blue solid lines MO-PAM calculations. Error bars represent the statistical error. The orange line corresponds to a Gaussian fit to the INS data. The orange and blue bars denote the systematic error in the conversion of the neutron intensity to absolute units and uncertainties in the calculation of the MO-PAM intensities, respectively (see Supplementary Information for details). d The integral of $$\tilde{χ}$$" (Q, E) over energy, denoted $$\tilde{χ}^{"}_{Q}$$. Circle symbols and the blue solid line correspond to $$\tilde{χ}^{"}_{Q}$$ from high-intensity neutron data and MO-PAM calculations, respectively. Error bars represent the statistical error." data-ostiid="2251584">
Fig. 3(p. 5)figure Fig. 3
Q, E), recorded with incident neutron energy Ei = 3.315meV (see Methods for details). Squares and circles correspond to the locations of Gaussian profiles inferred from constant-energy cuts with one and two Gaussian profiles, respectively. All cuts investigated and the corresponding fits are shown in the Supplementary Information. The solid blue and light green lines denote themagnondispersions calculated from our microscopic model and a fit of a short-range Heisenberg model with a single nearest-neighbor exchange constant J1 to our data, respectively. The dashed black line is a linear fit of the magnon dispersion close to the zone center used to extract the magnon velocity. a2-c2 At higher energies, where the splitting is larger than the FWHM of the experimental resolution, the profiles of constant-energy cuts were fitted by two Gaussian profiles. a3–c3 At energies below 0.6 meV for the RΓ and RX direction and below 0.4 meV for the RM direction, the splitting is restricted by the experimental resolution as indicated by the shaded profile. Error bars in panels a2–c2 and a3–c3 represent the statistical error." data-ostiid="2251584">
Fig. 4(p. 6)figure Fig. 4

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Related Subjects

36 MATERIALS SCIENCE
electronic properties and materials
electronic structure
magnetic properties and materials
Material Science
Kondo
RKKY