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Title: Negative thermal expansion and magnetoelastic coupling in the breathing pyrochlore lattice material LiGaCr 4 S 8

Journal Article · · Physical Review B
 [1];  [2];  [2];  [3];  [4];  [3];  [3];  [1];  [5];  [2];  [6];  [7]
  1. 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
  2. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science and Technology Division
  3. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Neutron Scattering Division
  4. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Neutron Technologies Division
  5. 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
  6. 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
  7. 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

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.

Research Organization:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Univ. of Tennessee, Knoxville, TN (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22); Gordon and Betty Moore Foundation (United States)
Grant/Contract Number:
AC05-00OR22725; AC02-06CH11357
OSTI ID:
1435213
Alternate ID(s):
OSTI ID: 1435378
Journal Information:
Physical Review B, Journal Name: Physical Review B Journal Issue: 13 Vol. 97; ISSN 2469-9950
Publisher:
American Physical Society (APS)Copyright Statement
Country of Publication:
United States
Language:
English

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Spin ordering induced by lattice distortions in classical Heisenberg antiferromagnets on the breathing pyrochlore lattice journal April 2019
Behavior of the breathing pyrochlore lattice Ba 3 Yb 2 Zn 5 O 11 in applied magnetic field journal October 2018
Breathing chromium spinels: a showcase for a variety of pyrochlore Heisenberg Hamiltonians text January 2019
Formation of breathing pyrochlore lattices: structural, thermodynamic and crystal chemical aspects journal January 2020
Behavior of the breathing pyrochlore lattice Ba$_3$Yb$_2$Zn$_5$O$_{11}$ in applied magnetic field text January 2018
Breathing chromium spinels: a showcase for a variety of pyrochlore Heisenberg Hamiltonians journal December 2019