Skip to main content


eCommons@Cornell

eCommons@Cornell >
Cornell NanoScale Science & Technology Facility  >
Cornell NanoScale Facility Papers, Research and Monographs >

Please use this identifier to cite or link to this item: http://hdl.handle.net/1813/10177
Title: Intrinsic lattice thermal conductivity of semiconductors from first principles
Authors: Broido, David
Malorny, Michael
Birner, Gerd
Mingo, Natalio
Stewart, Derek
Keywords: thermal conductivity
first principles
phonon
silicon
germanium
semiconductor
Issue Date: 7-Dec-2007
Publisher: American Institute of Physics
Citation: D. A. Broido, M. Malorny, G. Birner, N. Mingo, D. A. Stewart, Appl. Phys. Lett, 91, 231922 (2007)
Abstract: We present an ab initio theoretical approach to accurately describe phonon thermal transport in semiconductors and insulators free of adjustable parameters. This technique combines a Boltzmann transport formalism with density functional calculations of harmonic and anharmonic interatomic force constants. Without any fitting parameters, we obtain excellent agreement (<5% difference at room temperature) between calculated and measured intrinsic lattice thermal conductivities of silicon and germanium. As such, this method may provide predictive theoretical guidance to experimental thermal transport studies of bulk and nanomaterials as well as facilitating the design of new materials.
Description: The original version of this article may be found at the Applied Physics Letters website: http://dx.doi.org/10.1063/1.2822891 Copyright (2007) American Institute of Physics
URI: http://hdl.handle.net/1813/10177
Appears in Collections:Cornell NanoScale Facility Papers, Research and Monographs

Files in This Item:

File Description SizeFormat
first_principles_thermal_conductivity_apl_2007.pdf119.82 kBAdobe PDFView/Open

Refworks Export

Items in eCommons are protected by copyright, with all rights reserved, unless otherwise indicated.

 

© 2014 Cornell University Library Contact Us