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Title: Low-temperature heat capacity and localized vibrational modes in natural and synthetic tetrahedrites

The heat capacity of natural (Cu{sub 12−x} (Fe, Zn, Ag){sub x}(Sb, As){sub 4}S{sub 13}) and synthetic (Cu{sub 12−x}Zn{sub x}Sb{sub 4}S{sub 13} with x = 0, 1, 2) tetrahedrite compounds was measured between 2 K and 380 K. 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 vibrational 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.
Authors:
; ; ;  [1] ; ; ; ;  [2]
  1. Materials Science and Technology Division, Oak Ridge National Laboratory, 1 Bethel Valley Rd., Oak Ridge, Tennessee 37831 (United States)
  2. Department of Chemical Engineering and Materials Science, Michigan State University, East Lansing, Michigan 48824 (United States)
Publication Date:
OSTI Identifier:
22304411
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Applied Physics; Journal Volume: 115; Journal Issue: 19; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; ANTIMONY COMPOUNDS; ARSENIC COMPOUNDS; COPPER COMPOUNDS; IRON COMPOUNDS; OSCILLATORS; SILVER COMPOUNDS; SPECIFIC HEAT; SULFUR COMPOUNDS; TEMPERATURE DEPENDENCE; THERMAL CONDUCTIVITY; THERMODYNAMIC PROPERTIES; ZINC COMPOUNDS