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

E. Lara-Curzio; A. F. May; O. Delaire; M. A. McGuire; X. Lu; Cheng Yun Liu; E. D. Case; D. T. Morelli

doi:10.1063/1.4878676

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

E. Lara-Curzio, A. F. May, O. Delaire, M. A. McGuire, X. Lu, Cheng Yun Liu, E. D. Case, D. T. Morelli

Research output: Contribution to journal › Article › peer-review

70 Scopus citations

Abstract

The heat capacity of natural (Cu_12-x (Fe, Zn, Ag) _x(Sb, As)₄S₁₃) and synthetic (Cu _12-xZn_xSb₄S₁₃ 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.

Original language	English
Article number	193515
Journal	Journal of Applied Physics
Volume	115
Issue number	19
DOIs	https://doi.org/10.1063/1.4878676
State	Published - May 21 2014

Access to Document

10.1063/1.4878676

Cite this

@article{6f7ba40d7acc4699a4bac6b1cdc48d6e,

title = "Low-temperature heat capacity and localized vibrational modes in natural and synthetic tetrahedrites",

abstract = "The heat capacity of natural (Cu12-x (Fe, Zn, Ag) x(Sb, As)4S13) and synthetic (Cu 12-xZnxSb4S13 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.",

author = "E. Lara-Curzio and May, {A. F.} and O. Delaire and McGuire, {M. A.} and X. Lu and Liu, {Cheng Yun} and Case, {E. D.} and Morelli, {D. T.}",

year = "2014",

month = may,

day = "21",

doi = "10.1063/1.4878676",

language = "English",

volume = "115",

journal = "Journal of Applied Physics",

issn = "0021-8979",

publisher = "American Institute of Physics",

number = "19",

}

TY - JOUR

T1 - Low-temperature heat capacity and localized vibrational modes in natural and synthetic tetrahedrites

AU - Lara-Curzio, E.

AU - May, A. F.

AU - Delaire, O.

AU - McGuire, M. A.

AU - Lu, X.

AU - Liu, Cheng Yun

AU - Case, E. D.

AU - Morelli, D. T.

PY - 2014/5/21

Y1 - 2014/5/21

N2 - The heat capacity of natural (Cu12-x (Fe, Zn, Ag) x(Sb, As)4S13) and synthetic (Cu 12-xZnxSb4S13 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.

AB - The heat capacity of natural (Cu12-x (Fe, Zn, Ag) x(Sb, As)4S13) and synthetic (Cu 12-xZnxSb4S13 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.

UR - http://www.scopus.com/inward/record.url?scp=84901397450&partnerID=8YFLogxK

U2 - 10.1063/1.4878676

DO - 10.1063/1.4878676

M3 - Article

AN - SCOPUS:84901397450

SN - 0021-8979

VL - 115

JO - Journal of Applied Physics

JF - Journal of Applied Physics

IS - 19

M1 - 193515

ER -

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

Abstract

Access to Document

Other files and links

Fingerprint

Cite this