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

Lara-Curzio, Edgar; May, Andrew F; Delaire, Olivier A; McGuire, Michael A; Lu, Xu; Li, Cheng-Yun; Case, Eldon D; Morelli, Donold

doi:10.1063/1.4878676

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

Journal Article · Wed Jan 01 00:00:00 EST 2014 · Journal of Applied Physics

DOI:https://doi.org/10.1063/1.4878676· OSTI ID:1132354

Lara-Curzio, Edgar ^[1]; May, Andrew F ^[1]; Delaire, Olivier A ^[1]; McGuire, Michael A ^[1]; Lu, Xu ^[2]; Li, Cheng-Yun ^[2]; Case, Eldon D ^[3]; Morelli, Donold ^[3]

ORNL
Michigan State University
Michigan State University, East Lansing

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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Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: USDOE Office of Science (SC)

DOE Contract Number:: DE-AC05-00OR22725

OSTI ID:: 1132354

Journal Information:: Journal of Applied Physics, Vol. 115, Issue 19; ISSN 0021-8979

Country of Publication:: United States

Language:: English

References (7)

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Tetrahedrites as thermoelectric materials: an overview Chetty, R.; Bali, A.; Mallik, R. C. Journal of Materials Chemistry C, Vol. 3, Issue 48 https://doi.org/10.1039/c5tc02537k	journal	January 2015
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High-performance thermoelectric minerals: Colusites Cu ₂₆ V ₂ M ₆ S ₃₂ (M = Ge, Sn) Suekuni, Koichiro; Kim, Fiseong S.; Nishiate, Hirotaka Applied Physics Letters, Vol. 105, Issue 13 https://doi.org/10.1063/1.4896998	journal	September 2014
Research Update: Cu–S based synthetic minerals as efficient thermoelectric materials at medium temperatures Suekuni, Koichiro; Takabatake, Toshiro APL Materials, Vol. 4, Issue 10 https://doi.org/10.1063/1.4955398	journal	October 2016
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