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Title: Thermal conductivity of Bi{sub 2}Te{sub 3} tilted nanowires, a molecular dynamics study

Evidence for an excellent compromise between structural stability and low thermal conductivity has been achieved with tilted Bi{sub 2}Te{sub 3} nanowires. The latter ones were recently fabricated and there is a need in modeling and characterization. The structural stability and the thermal conductivity of Bi{sub 2}Te{sub 3} nanowires along the tilted [015]* direction and along the [010] direction have been explored. For the two configurations of nanowires, the effect of the length and the cross section on the thermal conductivity is discussed. The thermal conductivity of infinite size tilted nanowire is 0.34 W/m K, significantly reduced compared to nanowire along the [010] direction (0.59 W/m K). This reveals that in Bi{sub 2}Te{sub 3} nanowires the structural anisotropy can be as important as size effects to reduce the thermal conductivity. The main reason is the reduction of the phonon mean free path which is found to be 1.7 nm in the tilted nanowires, compared to 5.3 nm for the nanowires along the [010] direction. The fact that tilted Bi{sub 2}Te{sub 3} nanowire is mechanically stable and it has extremely low thermal conductivity suggests these nanowires as a promising material for future thermoelectric generation application.
Authors:
; ;  [1] ;  [2] ;  [3] ;  [4]
  1. Université de Lorraine, LEMTA UMR 7563, CNRS F-54506 Vandoeuvre Les Nancy (France)
  2. Université de Lorraine, IJL-P2M, UMR-7198, CNRS F-54506 Vandoeuvre les Nancy (France)
  3. Université de Lorraine, IJL-CP2S, UMR-7198, CNRS Metz (France)
  4. Université de Lorraine, IJL-P2M, UMR-7198, CNRS Metz (France)
Publication Date:
OSTI Identifier:
22412565
Resource Type:
Journal Article
Resource Relation:
Journal Name: Applied Physics Letters; Journal Volume: 106; Journal Issue: 23; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; 71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; BISMUTH TELLURIDES; MEAN FREE PATH; MOLECULAR DYNAMICS METHOD; NANOWIRES; PHONONS; SIMULATION; THERMAL CONDUCTIVITY