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

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 LiGaCr ₄S ₈ 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 LiGaCr ₄S ₈.

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) (SC-22); 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.  doi: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.  doi: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.  doi: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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DOI: 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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Title: Negative thermal expansion and magnetoelastic coupling in the breathing pyrochlore lattice material LiGaCr 4 S 8

Abstract

Citation Formats

Figures / Tables:

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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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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