Negative thermal expansion and magnetoelastic coupling in the breathing pyrochlore lattice material LiGaCr4S8

Pokharel, G.; May, A. F.; Parker, D. S.; Calder, S.; Ehlers, G.; Huq, A.; Kimber, S. A.  J.; Arachchige, H. Suriya; Poudel, L.; McGuire, M. A.; Mandrus, D.; Christianson, A. D.

doi:10.1103/PhysRevB.97.134117

Title: Negative thermal expansion and magnetoelastic coupling in the breathing pyrochlore lattice material ${LiGaCr}_{4} S_{8}$

Abstract

In this paper, the physical properties of the spinel LiGaCr₄S₈ have been studied with neutron diffraction, x-ray diffraction, magnetic susceptibility, and heat capacity measurements. The neutron diffraction and synchrotron x-ray diffraction data reveal negative thermal expansion (NTE) below 111(4) K. The magnetic susceptibility deviates from Curie-Weiss behavior with the onset of NTE. At low temperature a broad peak in the magnetic susceptibility at 10.3(3) K is accompanied by the return of normal thermal expansion. First-principles calculations find a strong coupling between the lattice and the simulated magnetic ground state. Finally, these results indicate strong magnetoelastic coupling in LiGaCr₄S₈.

Authors:

Pokharel, G. ^[1]; May, A. F. ^[2]; Parker, D. S. ^[2]; Calder, S. ^[3]; Ehlers, G. ^[4]; Huq, A. ^[3]; Kimber, S. A. J. ^[3]; Arachchige, H. Suriya ^[1]; Poudel, L. ^[5]; McGuire, M. A. ^[2]; Mandrus, D. ^[6]; Christianson, A. D. ^[7]

Univ. of Tennessee, Knoxville, TN (United States). Dept. of Physics and Astronomy; Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Neutron Scattering Division
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science and Technology Division
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Neutron Scattering Division
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Neutron Technologies Division
Univ. of Tennessee, Knoxville, TN (United States). Dept. of Physics and Astronomy; Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Neutron Scattering Division; Univ. of Maryland, College Park, MD (United States). Dept. of Materials Science and Engineering; National Inst. of Standards and Technology (NIST), Gaithersburg, MD (United States). NIST Center for Neutron Research
Univ. of Tennessee, Knoxville, TN (United States). Dept. of Physics and Astronomy. Dept. of Materials Science and Engineering; Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science and Technology Division
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science and Technology Division. Neutron Scattering Division; Univ. of Tennessee, Knoxville, TN (United States). Dept. of Physics and Astronomy

Publication Date:: 2018-04-30

Research Org.:: Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Univ. of Tennessee, Knoxville, TN (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES); Gordon and Betty Moore Foundation (United States)

OSTI Identifier:: 1435213

Alternate Identifier(s):: OSTI ID: 1435378

Grant/Contract Number:: AC05-00OR22725; AC02-06CH11357; GBMF4416

Resource Type:: Accepted Manuscript

Journal Name:: Physical Review B

Additional Journal Information:: Journal Volume: 97; Journal Issue: 13; 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; frustrated magnetism; magnetic susceptibility; magnetism; structural properties

Citation Formats


                    Pokharel, G., May, A. F., Parker, D. S., Calder, S., Ehlers, G., Huq, A., Kimber, S. A.  J., Arachchige, H. Suriya, Poudel, L., McGuire, M. A., Mandrus, D., and Christianson, A. D. Negative thermal expansion and magnetoelastic coupling in the breathing pyrochlore lattice material LiGaCr4S8.  United States: N. p., 2018. 
Web.  https://doi.org/10.1103/PhysRevB.97.134117.

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                    Pokharel, G., May, A. F., Parker, D. S., Calder, S., Ehlers, G., Huq, A., Kimber, S. A.  J., Arachchige, H. Suriya, Poudel, L., McGuire, M. A., Mandrus, D., & Christianson, A. D. Negative thermal expansion and magnetoelastic coupling in the breathing pyrochlore lattice material LiGaCr4S8.  United States.  https://doi.org/10.1103/PhysRevB.97.134117

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                    Pokharel, G., May, A. F., Parker, D. S., Calder, S., Ehlers, G., Huq, A., Kimber, S. A.  J., Arachchige, H. Suriya, Poudel, L., McGuire, M. A., Mandrus, D., and Christianson, A. D. Mon .  
"Negative thermal expansion and magnetoelastic coupling in the breathing pyrochlore lattice material LiGaCr4S8".  United States.  https://doi.org/10.1103/PhysRevB.97.134117.  https://www.osti.gov/servlets/purl/1435213.

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@article{osti_1435213,

  title        = {Negative thermal expansion and magnetoelastic coupling in the breathing pyrochlore lattice material LiGaCr4S8},

  author       = {Pokharel, G. and May, A. F. and Parker, D. S. and Calder, S. and Ehlers, G. and Huq, A. and Kimber, S. A.  J. and Arachchige, H. Suriya and Poudel, L. and McGuire, M. A. and Mandrus, D. and Christianson, A. D.},

  abstractNote = {In this paper, the physical properties of the spinel LiGaCr4S8 have been studied with neutron diffraction, x-ray diffraction, magnetic susceptibility, and heat capacity measurements. The neutron diffraction and synchrotron x-ray diffraction data reveal negative thermal expansion (NTE) below 111(4) K. The magnetic susceptibility deviates from Curie-Weiss behavior with the onset of NTE. At low temperature a broad peak in the magnetic susceptibility at 10.3(3) K is accompanied by the return of normal thermal expansion. First-principles calculations find a strong coupling between the lattice and the simulated magnetic ground state. Finally, these results indicate strong magnetoelastic coupling in LiGaCr4S8.},

  doi          = {10.1103/PhysRevB.97.134117},

  journal      = {Physical Review B},

  number       = 13,

  volume       = 97,

  place        = {United States},

  year         = {2018},

  month        = {4}

}

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https://doi.org/10.1103/PhysRevB.97.134117

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Cited by: 5 works

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Figures / Tables:

FIG. 1.: Crystal structure of LiGaCr₄S₈ depicting the breathing pyrochlore Cr sublattice. The exchange interactions within the small and large tetrahedra are labeled J₁ and J′₁ respectively. J₂ denotes the next nearest neighbor exchange interaction.

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Works referenced in this record:

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Breathing chromium spinels: a showcase for a variety of pyrochlore Heisenberg Hamiltonians
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Ghosh, Pratyay; Iqbal, Yasir; Müller, Tobias
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Title: Negative thermal expansion and magnetoelastic coupling in the breathing pyrochlore lattice material LiGaCr 4 S 8

Abstract

Citation Formats

Figures / Tables:

Orbital physics in sulfur spinels: ordered, liquid and glassy ground states journal, January 2004

Thermal study of the interplay between spin and lattice in CoCr 2 O 4 and CdCr 2 O 4 journal, February 2013

Generalized Gradient Approximation Made Simple journal, October 1996

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Title: Negative thermal expansion and magnetoelastic coupling in the breathing pyrochlore lattice material ${LiGaCr}_{4} S_{8}$

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Exchange Interactions in Ferromagnetic Chromium Chalcogenide Spinels
journal, November 1966

Low-energy excitations and ground-state selection in the quantum breathing pyrochlore antiferromagnet ${Ba}_{3} {Yb}_{2} {Zn}_{5} O_{11}$
journal, June 2016

Spin-Driven Phonon Splitting in Bond-Frustrated ${ZnCr}_{2} S_{4}$
journal, August 2006

Spin and Orbital Frustration in ${MnSc}_{2} S_{4}$ and ${FeSc}_{2} S_{4}$
journal, March 2004

Some new mixed A-site chromium chalcogenide spinels
journal, June 1970

Probing Spin Correlations with Phonons in the Strongly Frustrated Magnet ${ZnCr}_{2} O_{4}$
journal, April 2005

FeCr2S4 in magnetic fields: possible evidence for a multiferroic ground state
journal, August 2014

Quantum spin ice on the breathing pyrochlore lattice
journal, August 2016

Gitterschwingungsspektren XVIII. Chromthio- und Chromselenospinelle mit 1:1-Ordnung auf den Tetraederplätzen
journal, October 1977

Experimental realization of a quantum breathing pyrochlore antiferromagnet
journal, August 2014

Negative thermal expansion and magnetostriction in the frustrated spinel ZnCr ₂ (Se _{1− x} S _x ) ₄ (0 ≤ x ≤ 0.1)
journal, April 2016

Spin-glass-like behavior in single-crystalline ${Cu}_{0.44} {In}_{0.48} {Cr}_{1.95} {Se}_{4}$
journal, January 2008

Electronic band structure and exchange coupling constants in $A {Cr}_{2} X_{4}$ spinels ( $A = Zn$ , Cd, Hg; $X = O$ , S, Se)
journal, March 2008

Magnetic phase diagram of the helimagnetic spinel compound ZnCr ₂ Se ₄ revisited by small-angle neutron scattering
journal, March 2016

Large Magnetostriction and Negative Thermal Expansion in the Frustrated Antiferromagnet ${ZnCr}_{2} {Se}_{4}$
journal, April 2007

Breathing chromium spinels: a showcase for a variety of pyrochlore Heisenberg Hamiltonians
journal, December 2019

Formation of breathing pyrochlore lattices: structural, thermodynamic and crystal chemical aspects
journal, January 2020

Spin ordering induced by lattice distortions in classical Heisenberg antiferromagnets on the breathing pyrochlore lattice
journal, April 2019

Suppression of the antiferromagnetic metallic state in the pressurized $MnB i_{2} T e_{4}$ single crystal
journal, September 2019