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Title: Direct measurement of the spin gap in a quasi-one-dimensional clinopyroxene: NaTiSi2O6

True inorganic Spin-Peierls materials are extremely rare, but NaTiSi2O6 was at one time considered an ideal candidate due to it having well separated chains of edge-sharing TiO6 octahedra. At low temperatures, this material undergoes a phase transition from C2/c to P$$\bar{1}$$ symmetry, where Ti3+-Ti3+ dimers begin to form within the chains. However, it was quickly realized with magnetic susceptibility that simple spin fluctuations do not progress to the point of enabling such a transition. Since then, considerable experimental and theoretical endeavours have been taken to find the true ground state of this system and explain how it manifests. Here, we employ the use of x-ray diffraction, neutron spectroscopy, and magnetic susceptibility to directly and simultaneously measure the symmetry loss, spin singlet-triplet gap, and phonon modes. Lastly, we observed a gap of 53(3) meV, fit to the magnetic susceptibility, and compared to previous theoretical models to unambiguously assign NaTiSi2O6 as having an orbital-assisted Peierls ground state.
 [1] ;  [2] ;  [2] ;  [3] ;  [4] ;  [5] ;  [6] ;  [7]
  1. Univ. of Manitoba, Winnipeg (Canada). Dept. of Chemistry
  2. Univ. of Winnipeg, Winnipeg (Canada). Dept. of Chemistry
  3. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Quantum Condensed Matter Division
  4. Univ. of Tennessee, Knoxville, TN (United States) Dept. of Physics and Astronomy; Florida State Univ., Tallahassee, FL (United States). National High Magnetic Field Lab. (MagLab)
  5. Univ. of Tennessee, Knoxville, TN (United States) Dept. of Physics and Astronomy
  6. Univ. of Manitoba, Winnipeg (Canada). Dept. of Physics and Astronomy
  7. Univ. of Manitoba, Winnipeg (Canada). Dept. of Chemistry; Univ. of Winnipeg, Winnipeg (Canada). Dept. of Chemistry; McMaster Univ., Hamilton, ON (Canada). Dept. of Physics and Astronomy
Publication Date:
OSTI Identifier:
Grant/Contract Number:
AC05-00OR22725; DMR-1350002
Accepted Manuscript
Journal Name:
Physical Review. B, Condensed Matter and Materials Physics
Additional Journal Information:
Journal Volume: 90; Journal Issue: 14; Journal ID: ISSN 1098-0121
American Physical Society (APS)
Research Org:
Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Spallation Neutron Source
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
36 MATERIALS SCIENCE inorganic spin-Peierls; ground state