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Enhanced Electron Scattering upon Ion Relocation in BaVS3 at 69 K.

Ferenc Márkus1, Bence G Márkus2

  • 1Department of Physics, Budapest University of Technology and Economics, P.O. Box 91, H-1521 Budapest, Hungary.

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Barium vanadium sulfide (BaVS 3) shows an unusual heat capacity peak near its metal-insulator transition. This anomaly is explained by enhanced electron scattering due to structural changes.

Keywords:
BaVS3enhanced electron scatteringmetal-insulator transition

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Area of Science:

  • Condensed Matter Physics
  • Materials Science

Background:

  • Barium vanadium sulfide (BaVS 3) exhibits a metal-insulator transition at 69 K.
  • This transition is accompanied by a structural change from an orthorhombic to a monoclinic phase.

Purpose of the Study:

  • To investigate the anomalous heat capacity peak and thermal conductivity of BaVS 3 near its metal-insulator transition.
  • To quantitatively explain the observed peak-like structures in heat capacity and conductivity.

Main Methods:

  • Heat capacity measurements were performed near the transition temperature.
  • A model was developed to calculate the entropy increase during the structural transition.

Main Results:

  • A significant, sample-dependent, and broad peak in heat capacity was observed at the transition.
  • The study demonstrates that enhanced electron scattering, caused by structural reorientation of nuclei, accounts for the increased entropy.
  • The developed model quantitatively explains the observed peak-like anomalies in both heat capacity and thermal conductivity.

Conclusions:

  • The anomalous heat capacity and thermal conductivity in BaVS 3 are quantitatively explained by enhanced electron scattering linked to structural reorientation.
  • The findings provide a deeper understanding of the physics governing metal-insulator transitions in materials like BaVS 3.