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Ab initio calculati...
Ab initio calculation of the thermal conductivity of indium antimonide
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- Miranda, Alonso L. (författare)
- CINVESTAV, Mexico; University of Liege, Belgium
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- Xu, Bin (författare)
- University of Liege, Belgium; University of Arkansas, AR 72701 USA; University of Arkansas, AR 72701 USA
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- Hellman, Olle (författare)
- Linköpings universitet,Teoretisk Fysik,Tekniska högskolan
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- Romero, Aldo H. (författare)
- CINVESTAV, Mexico; W Virginia University, WV 26506 USA
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- Verstraete, Matthieu J. (författare)
- University of Liege, Belgium
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(creator_code:org_t)
- 2014-11-14
- 2014
- Engelska.
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Ingår i: Semiconductor Science and Technology. - : IOP Publishing: Hybrid Open Access. - 0268-1242 .- 1361-6641. ; 29:12, s. 124002-
- Relaterad länk:
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https://orbi.uliege....
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https://urn.kb.se/re...
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https://doi.org/10.1...
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Abstract
Ämnesord
Stäng
- A theoretical study based on the density functional theory and the temperature-dependent effective potential method is performed to analyze the changes in the phonon band structure as a function of temperature for indium antimonide. In particular, we show changes in the thermal expansion coefficient and the thermal resistivity that agree rather well with experimental measurements. From the theoretical side, we show a weak dependence with respect to the chosen thermostat used to obtain the inter-atomic force constants, which strengthens our conclusions.
Ämnesord
- NATURVETENSKAP -- Fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences (hsv//eng)
Nyckelord
- thermal conductivity; InSb; ab initio; Boltzmann equation; anhamonicity
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- art (ämneskategori)
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