Dresden 2011 – scientific programme

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DS: Fachverband Dünne Schichten

DS 61: Thermoelectric Materials, Thin Films, and Nanostructures III (Focused Session -- Organisers: Nielsch, Rastelli, Balke)

DS 61.1: Talk

Friday, March 18, 2011, 16:00–16:15, GER 37

Phonon transport calculations across interfaces using non equilibrium Green’s function formalism — •Saeideh Edalati Boostan, Michael Bachmann, Michael Czerner, and Christian Heiliger — I. Physikalisches Institut, Justus Liebig University Giessen, D-35392, Germany

Modern electronic devices are rapidly approaching nanometer scales, and heat transport in these systems, particularly across embedded interfaces, is critical to their performance. In this work we present a phonon transport model that can calculate heat flow in layered structured systems. We perform ab initio calculations using the abinit package to obtain the interatomic force constants [1]. These force constants are plugged into a non equilibrium Green’s function formalism to calculate the transmission function and the temperature dependence of thermal conductivity in the linear ballistic response regime [2, 3].

http://www.abinit.org
S. Datta, Electronic Transport in Mesoscopic Systems, Cambridge Univeristy Press (1995)
P. E. Hopkins, P. M. Noris, M. S. Tsegaye, and A. W. Ghosh, J. Appl. Phys. 106, 063503 (2009)