DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Determinant quantum Monte Carlo study of exhaustion in the periodic Anderson model

Abstract

The Kondo and periodic Anderson models describe many of the qualitative features of local moments coupled to a conduction band, and thereby the physics of materials such as the heavy fermions. In particular, when the exchange coupling J or hybridization V between the moments and the electrons of the metallic band is large, singlets form, quenching the magnetism. In the opposite, small J or V, limit, the moments survive and the conduction electrons mediate an effective interaction which can trigger long-range, often antiferromagnetic order. In the case of the Kondo model, where the moments are described by local spins, Nozières considered the possibility that the available conduction electrons within the Kondo temperature of the Fermi surface would be insufficient in number to accomplish the screening. Much effort in the literature has been devoted to the study of the temperature scales in the resulting “exhaustion” problem and how the “coherence temperature” where a heavy Fermi liquid forms is related to the Kondo temperature. Here, we study a version of the periodic Anderson model in which some of the conduction electrons are removed in a way which avoids the fermion sign problem and hence allows low-temperature quantum Monte Carlo simulations which canmore » access both singlet formation and magnetic ordering temperature scales. Finally, we are then able to focus on a somewhat different aspect of exhaustion physics than previously considered: the effect of dilution on the critical V for the singlet-antiferromagnetic transition.« less

Authors:
 [1];  [1];  [2];  [3];  [4]
  1. Beijing Normal Univ. (China)
  2. International School for Advanced Studies (SISSA), Trieste (Italy). Universidade Federal do Rio de Janeiro (Brazil)
  3. Universidade Federal do Rio de Janeiro (Brazil)
  4. Univ. of California, Davis, CA (United States)
Publication Date:
Research Org.:
Univ. of California, Davis, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Materials Sciences & Engineering Division; NSFC; Beijing Natural Science Foundation
OSTI Identifier:
1597048
Grant/Contract Number:  
SC0014671; 11774033; 1192011
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Volume: 99; Journal Issue: 19; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; Antiferromagnetism; Kondo effect; Heavy-fermion systems; Anderson impurity model; Kondo lattice model; Quantum Monte Carlo

Citation Formats

Zhang, Lufeng, Ma, Tianxing, Costa, Natanael C., dos Santos, Raimundo R., and Scalettar, Richard T. Determinant quantum Monte Carlo study of exhaustion in the periodic Anderson model. United States: N. p., 2019. Web. doi:10.1103/PhysRevB.99.195147.
Zhang, Lufeng, Ma, Tianxing, Costa, Natanael C., dos Santos, Raimundo R., & Scalettar, Richard T. Determinant quantum Monte Carlo study of exhaustion in the periodic Anderson model. United States. https://doi.org/10.1103/PhysRevB.99.195147
Zhang, Lufeng, Ma, Tianxing, Costa, Natanael C., dos Santos, Raimundo R., and Scalettar, Richard T. Tue . "Determinant quantum Monte Carlo study of exhaustion in the periodic Anderson model". United States. https://doi.org/10.1103/PhysRevB.99.195147. https://www.osti.gov/servlets/purl/1597048.
@article{osti_1597048,
title = {Determinant quantum Monte Carlo study of exhaustion in the periodic Anderson model},
author = {Zhang, Lufeng and Ma, Tianxing and Costa, Natanael C. and dos Santos, Raimundo R. and Scalettar, Richard T.},
abstractNote = {The Kondo and periodic Anderson models describe many of the qualitative features of local moments coupled to a conduction band, and thereby the physics of materials such as the heavy fermions. In particular, when the exchange coupling J or hybridization V between the moments and the electrons of the metallic band is large, singlets form, quenching the magnetism. In the opposite, small J or V, limit, the moments survive and the conduction electrons mediate an effective interaction which can trigger long-range, often antiferromagnetic order. In the case of the Kondo model, where the moments are described by local spins, Nozières considered the possibility that the available conduction electrons within the Kondo temperature of the Fermi surface would be insufficient in number to accomplish the screening. Much effort in the literature has been devoted to the study of the temperature scales in the resulting “exhaustion” problem and how the “coherence temperature” where a heavy Fermi liquid forms is related to the Kondo temperature. Here, we study a version of the periodic Anderson model in which some of the conduction electrons are removed in a way which avoids the fermion sign problem and hence allows low-temperature quantum Monte Carlo simulations which can access both singlet formation and magnetic ordering temperature scales. Finally, we are then able to focus on a somewhat different aspect of exhaustion physics than previously considered: the effect of dilution on the critical V for the singlet-antiferromagnetic transition.},
doi = {10.1103/PhysRevB.99.195147},
journal = {Physical Review B},
number = 19,
volume = 99,
place = {United States},
year = {Tue May 28 00:00:00 EDT 2019},
month = {Tue May 28 00:00:00 EDT 2019}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record

Citation Metrics:
Cited by: 4 works
Citation information provided by
Web of Science

Save / Share:

Works referenced in this record:

Some comments on Kondo lattices and the Mott transition
journal, December 1998


New results on Trotter-like approximations
journal, May 1986


Absence of Ferromagnetism or Antiferromagnetism in One- or Two-Dimensional Isotropic Heisenberg Models
journal, November 1966


Low-energy scale of the periodic Anderson model
journal, May 2000


A Theory of Metallic Ferro- and Antiferromagnetism on Zener's Model
journal, July 1956

  • Kasuya, Tadao
  • Progress of Theoretical Physics, Vol. 16, Issue 1
  • DOI: 10.1143/PTP.16.45

Dynamical mean-field study of partial Kondo screening in the periodic Anderson model on the triangular lattice
journal, December 2015

  • Aulbach, Maximilian W.; Assaad, Fakher F.; Potthoff, Michael
  • Physical Review B, Vol. 92, Issue 23
  • DOI: 10.1103/PhysRevB.92.235131

Exploring heavy fermions from macroscopic to microscopic length scales
journal, August 2016


Sign problem in the numerical simulation of many-electron systems
journal, May 1990


Strong-coupling limit of depleted Kondo- and Anderson-lattice models
journal, February 2015

  • Titvinidze, Irakli; Schwabe, Andrej; Potthoff, Michael
  • The European Physical Journal B, Vol. 88, Issue 2
  • DOI: 10.1140/epjb/e2014-50772-1

Impuretés magnétiques et effet Kondo
journal, January 1985


Two Fluid Description of the Kondo Lattice
journal, January 2004


Solution of the Kondo problem
journal, April 1983

  • Andrei, N.; Furuya, K.; Lowenstein, J. H.
  • Reviews of Modern Physics, Vol. 55, Issue 2, p. 331-402
  • DOI: 10.1103/RevModPhys.55.331

Crossover from dilute-Kondo system to heavy-fermion system
journal, March 2010


Numerical study of the two-dimensional Hubbard model
journal, July 1989


Coherence temperature in the diluted periodic Anderson model
journal, May 2019


Ground-state staggered magnetization of two-dimensional quantum Heisenberg antiferromagnets
journal, February 1988


Strongly inhomogeneous phases and non-Fermi-liquid behavior in randomly depleted Kondo lattices
journal, April 2007


Ferromagnetism of magnetic impurities coupled indirectly via conduction electrons: Insights from various theoretical approaches
journal, July 2014


Impurity-induced antiferromagnetic domains in the periodic Anderson model
journal, August 2016


Quantum critical scaling and fluctuations in Kondo lattice materials
journal, May 2017

  • Yang, Yi-feng; Pines, David; Lonzarich, Gilbert
  • Proceedings of the National Academy of Sciences, Vol. 114, Issue 24
  • DOI: 10.1073/pnas.1703172114

Universal Knight shift anomaly in the periodic Anderson model
journal, December 2014


Magnetic and Thermodynamic Properties of the Three-Dimensional Periodic Anderson Hamiltonian
journal, March 1999


Indirect Exchange Coupling of Nuclear Magnetic Moments by Conduction Electrons
journal, October 1954


Geometry dependence of the sign problem in quantum Monte Carlo simulations
journal, July 2015


Two-dimensional Hubbard model: Numerical simulation study
journal, April 1985


Monte Carlo calculations of coupled boson-fermion systems. I
journal, October 1981


Integrable narrow-band model with possible relevance to heavy-fermion systems
journal, October 1987


Effects of an additional conduction band on the singlet-antiferromagnet competition in the periodic Anderson model
journal, June 2017


Gutzwiller Variational Approximation to the Heavy-Fermion Ground State of the Periodic Anderson Model
journal, August 1985


Finite temperature crossover in the Anderson lattice model
journal, December 1991


Scaling in the emergent behavior of heavy-electron materials
journal, December 2004


Large and small Fermi-surface spin density waves in the Kondo lattice model
journal, August 2015


Introduction to quantum Monte Carlo simulations for fermionic systems
journal, January 2003


Quantum Monte Carlo Methods
book, January 2016


d -wave superconductivity in the frustrated two-dimensional periodic Anderson model
journal, February 2015


Long range order and two-fluid behavior in heavy electron materials
journal, September 2012

  • Shirer, K. R.; Shockley, A. C.; Dioguardi, A. P.
  • Proceedings of the National Academy of Sciences, Vol. 109, Issue 45
  • DOI: 10.1073/pnas.1209609109

On the product of semi-groups of operators
journal, April 1959


Monte Carlo Method for Magnetic Impurities in Metals
journal, June 1986


Finite-size effects in transport data from quantum Monte Carlo simulations
journal, March 2012


Compressible ferrimagnetism in the depleted periodic Anderson model
journal, February 2018


Dynamics and scaling in the periodic Anderson model
journal, June 2004


Heavy-fermion systems
journal, October 1984


Computational Complexity and Fundamental Limitations to Fermionic Quantum Monte Carlo Simulations
journal, May 2005


Kondo screening and exhaustion in the periodic Anderson model
journal, May 2000


Protracted screening in the periodic Anderson model
journal, February 1997


Universal scaling in the Knight-shift anomaly of the doped periodic Anderson model
journal, June 2017


Localized Magnetic States in Metals
journal, October 1961


Symmetric periodic Anderson model in infinite dimensions
journal, March 1995


Phase diagram of the two-leg Kondo ladder
journal, November 2004


Gutzwiller method for heavy electrons
journal, November 1986


The ground-state phase diagram of the one-dimensional Kondo lattice model
journal, July 1997

  • Tsunetsugu, Hirokazu; Sigrist, Manfred; Ueda, Kazuo
  • Reviews of Modern Physics, Vol. 69, Issue 3
  • DOI: 10.1103/RevModPhys.69.809

Doping-induced perturbation and percolation in the two-dimensional Anderson lattice
journal, April 2017

  • Wei, Lan-ying; Yang, Yi-feng
  • Scientific Reports, Vol. 7, Issue 1
  • DOI: 10.1038/srep46089

Scaling the Kondo lattice
journal, July 2008

  • Yang, Yi-feng; Fisk, Zachary; Lee, Han-Oh
  • Nature, Vol. 454, Issue 7204
  • DOI: 10.1038/nature07157

Finite-temperature spectra and quasiparticle interference in Kondo lattices: From light electrons to coherent heavy quasiparticles
journal, November 2011


Competition between Antiferromagnetic Order and Spin-Liquid Behavior in the Two-Dimensional Periodic Anderson Model at Half Filling
journal, March 1995


Spiral magnetic phases on the Kondo Lattice Model: A Hartree–Fock approach
journal, February 2017

  • Costa, N. C.; Lima, J. P.; dos Santos, Raimundo R.
  • Journal of Magnetism and Magnetic Materials, Vol. 423
  • DOI: 10.1016/j.jmmm.2016.09.061

Crossover from conventional to inverse indirect magnetic exchange in the depleted Anderson lattice
journal, May 2015

  • Aulbach, Maximilian W.; Titvinidze, Irakli; Potthoff, Michael
  • Physical Review B, Vol. 91, Issue 17
  • DOI: 10.1103/PhysRevB.91.174420

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
  • DOI: 10.1103/RevModPhys.68.13

Universal Behavior in Heavy-Electron Materials
journal, March 2008


Zero-temperature magnetism in the periodic Anderson model in the limit of large dimensions
journal, September 1995


“Exhaustion” physics in the periodic Anderson model from iterated perturbation theory
journal, February 2000

  • Vidhyadhiraja, N. S.; Tahvildar-Zadeh, A. N.; Jarrell, M.
  • Europhysics Letters (EPL), Vol. 49, Issue 4
  • DOI: 10.1209/epl/i2000-00171-0

Ergodicity at large couplings with the determinant Monte Carlo algorithm
journal, November 1991

  • Scalettar, Richard T.; Noack, Reinhard M.; Singh, Rajiv R. P.
  • Physical Review B, Vol. 44, Issue 19
  • DOI: 10.1103/PhysRevB.44.10502

Magnetic Properties of Cu-Mn Alloys
journal, June 1957


Spiral magnetic order, non-uniform states and electron correlations in the conducting transition metal systems
journal, October 2017

  • Igoshev, P. A.; Timirgazin, M. A.; Arzhnikov, A. K.
  • Journal of Magnetism and Magnetic Materials, Vol. 440
  • DOI: 10.1016/j.jmmm.2016.12.064

Similarities between the Hubbard and Periodic Anderson Models at Finite Temperatures
journal, July 2000


Itinerant ferromagnetism in the periodic Anderson model
journal, December 2003