Dresden 2017 – scientific programme
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MM: Fachverband Metall- und Materialphysik
MM 40: Transport III - thermal transport
MM 40.3: Talk
Wednesday, March 22, 2017, 10:45–11:00, IFW D
Point defect phonon scattering and thermal conductivity in Silicon — •Bonny Dongre and Georg K. H. Madsen — Institute of Materials Chemistry, TU Wien, Getreidemarkt 9/165, 1060 Wien, Austria
Due to the ever decreasing size of devices and increasing operating speeds, understanding and control of the thermal transport has gained paramount importance. Predicting the thermal conductivity of such devices is an inherent multi-scale problem. This requires full description of thermal transport behavior on electronic level, atomistic and mesoscopic structure levels.
The aim of the present work is to systematically analyze the effect of various types of defects, e.g. vacancies, interfaces and dislocations inevitably present in engineering materials, on their thermal conductivities. When viewed from the atomistic scale, quantitative description of phonon scattering strength can be obtained using inputs from ab intio methods like DFT. We have used the atomic-green’s-function approach to calculate the scattering rates which are then fed into the Boltzmann transport equation to get the required thermal conductivity in Vacancy Si (VacSi) and Germanium substitutional (GeSi) defect systems.
We acknowledge support from EU Horizon 2020 grant 645776 (ALMA) (www.almabte.eu)