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Phonon thermal cond...
Phonon thermal conductivity of scandium nitride for thermoelectrics from first-principles calculations and thin-film growth
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- Kerdsongpanya, Sit (author)
- Linköpings universitet,Tunnfilmsfysik,Tekniska fakulteten,Rensselaer Polytech Institute, NY 12180 USA
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- Hellman, Olle (author)
- Linköpings universitet,Teoretisk Fysik,Tekniska fakulteten,CALTECH, CA 91125 USA
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- Sun, Bo (author)
- National University of Singapore, Singapore
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- Kan Koh, Yee (author)
- National University of Singapore, Singapore
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- Lu, Jun (author)
- Linköpings universitet,Tunnfilmsfysik,Tekniska fakulteten
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- Van Nong, Ngo (author)
- Department of Energy Conversion and Storage, Technical University of Denmark, Risø Campus, Roskilde, Denmark
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- Simak, Sergei I., 1967- (author)
- Linköpings universitet,Teoretisk Fysik,Tekniska fakulteten
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- Alling, Björn (author)
- Linköpings universitet,Teoretisk Fysik,Tekniska fakulteten,Max Planck Institute Eisenforsch GmbH, Germany
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- Eklund, Per (author)
- Linköpings universitet,Tunnfilmsfysik,Tekniska fakulteten
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(creator_code:org_t)
- American Physical Society, 2017
- 2017
- English.
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In: Physical Review B. - : American Physical Society. - 2469-9950 .- 2469-9969. ; 96:19
- Related links:
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https://liu.diva-por... (primary) (Raw object)
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https://urn.kb.se/re...
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https://doi.org/10.1...
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Abstract
Subject headings
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- The knowledge of lattice thermal conductivity of materials under realistic conditions is vitally important since many modern technologies require either high or low thermal conductivity. Here, we propose a theoretical model for determining lattice thermal conductivity, which takes into account the effect of microstructure. It is based on ab initio description that includes the temperature dependence of the interatomic force constants and treats anharmonic lattice vibrations. We choose ScN as a model system, comparing the computational predictions to the experimental data by time-domain thermoreflectance. Our experimental results show a trend of reduction in lattice thermal conductivity with decreasing domain size predicted by the theoretical model. These results suggest a possibility to control thermal conductivity by microstructural tailoring and provide a predictive tool for the effect of the microstructure on the lattice thermal conductivity of materials based on ab initio calculations.
Subject headings
- NATURVETENSKAP -- Fysik -- Den kondenserade materiens fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences -- Condensed Matter Physics (hsv//eng)
Publication and Content Type
- ref (subject category)
- art (subject category)
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