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Title: Low-Temperature Heat Capacity and Localized Vibrational Modes in Natural and Synthetic Tetrahedrites

The heat capacity of natural (Cu12-x (Fe, Zn, Ag)x(Sb, As)4S13) and synthetic (Cu12-xZnxSb4S13 with x=0, 1, 2) tetrahedrite compounds was measured between 2K and 380K. It was found that the temperature dependence of the heat capacity can be described using a Debye term and three Einstein oscillators with characteristic temperatures that correspond to energies of ~1.0 meV, ~2.8 meV and ~8.4 meV. The existence of localized vibration modes, which are assigned to the displacements of the trigonally coordinated Cu atoms in the structure, is discussed in the context of anharmonicity and its effect on the low lattice thermal conductivity exhibited by these compounds.
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  1. ORNL
  2. Michigan State University
  3. Michigan State University, East Lansing
Publication Date:
OSTI Identifier:
DOE Contract Number:
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Applied Physics; Journal Volume: 115; Journal Issue: 19
Research Org:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org:
USDOE Office of Science (SC)
Country of Publication:
United States