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Two-Step Phase Tran...
Two-Step Phase Transition in SnSe and the Origins of its High Power Factor from First Principles
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- Dewandre, Antoine (författare)
- University of Liege, Belgium
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- Hellman, Olle (författare)
- Linköpings universitet,Teoretisk Fysik,Tekniska fakulteten,CALTECH, CA 91125 USA
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- Bhattacharya, Sandip (författare)
- Ruhr University of Bochum, Germany
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- Romero, Aldo H. (författare)
- West Virginia University, WV 26506 USA; Benemerita University of Autonoma Puebla, Mexico
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- Madsen, Georg K. H. (författare)
- TU Wien, Austria
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- Verstraete, Matthieu J. (författare)
- University of Liege, Belgium
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(creator_code:org_t)
- AMER PHYSICAL SOC, 2016
- 2016
- Engelska.
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Ingår i: PHYSICAL REVIEW LETTERS. - : AMER PHYSICAL SOC. - 0031-9007. ; 117:27
- Relaterad länk:
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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
Ämnesord
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- The interest in improving the thermoelectric response of bulk materials has received a boost after it has been recognized that layered materials, in particular SnSe, show a very large thermoelectric figure of merit. This result has received great attention while it is now possible to conceive other similar materials or experimental methods to improve this value. Before we can now think of engineering this material it is important we understand the basic mechanism that explains this unusual behavior, where very low thermal conductivity and a high thermopower result from a delicate balance between the crystal and electronic structure. In this Letter, we present a complete temperature evolution of the Seebeck coefficient as the material undergoes a soft crystal transformation and its consequences on other properties within SnSe by means of first-principles calculations. Our results are able to explain the full range of considered experimental temperatures.
Ämnesord
- NATURVETENSKAP -- Fysik -- Den kondenserade materiens fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences -- Condensed Matter Physics (hsv//eng)
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