Bulletin of the American Physical Society
APS March Meeting 2019
Volume 64, Number 2
Monday–Friday, March 4–8, 2019; Boston, Massachusetts
Session S47: Thermoelectrics -- Defects and Nanostructures
11:15 AM–2:15 PM,
Thursday, March 7, 2019
BCEC
Room: 213
Sponsoring
Unit:
DMP
Chair: Bolin Liao, University of California, Santa Barbara
Abstract: S47.00003 : Effect of intrinsic defects on the thermal conductivity of PbTe from classical molecular dynamics simulations*
11:39 AM–11:51 AM
Presenter:
Javier Fernandez Troncoso
(Queen's University Belfast)
Authors:
Javier Fernandez Troncoso
(Queen's University Belfast)
Pablo Aguado-Puente
(Queen's University Belfast)
Using this potential we studied how intrinsic defects influence the thermal conductivity, paying special attention to vacancies, interstitials and grain boundaries. Our results show that intrinsic point defects and grain boundaries can reduce the lattice conductivity of PbTe by a factor of 4, and converge towards the value of pristine PbTe under typical experimental concentrations of defects in samples. We also determine the thermal resistance of grain boundaries.
*This work was supported by a research grant from Science Foundation Ireland (SFI) and the Department for Economy (Northern Ireland).
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