Thermal properties of layered oxychalcogenides BiCuO Ch ( Ch  = S, Se, and Te): A first-principles calculation

The phonon spectra, Debye temperatures, Grüneisen parameters, and the intrinsic lattice thermal conductivities of the layered oxychalcogenides BiCuOCh (Ch = S, Se, Te) have been studied with first-principles calculations. We find that the lattice thermal conductivities of them are anisotropic and qu...

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Bibliographic Details
Published in:Journal of applied physics 2016-05, Vol.119 (18)
Main Authors: Liu, Gang, Sun, Hongyi, Zhou, Jian, Li, Qingfang, Wan, X. G.
Format: Article
Language:English
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Summary:The phonon spectra, Debye temperatures, Grüneisen parameters, and the intrinsic lattice thermal conductivities of the layered oxychalcogenides BiCuOCh (Ch = S, Se, Te) have been studied with first-principles calculations. We find that the lattice thermal conductivities of them are anisotropic and quite low. The lowest thermal conductivity is only 0.14 Wm−1K−1 along c-axis for BiCuOTe. The size-dependent thermal conductivity of them is also discussed.
ISSN:0021-8979
1089-7550
DOI:10.1063/1.4949485