DOI: 10.1063/1.2822891. Intrinsic lattice thermal conductivity of semiconductors from first principles

Intrinsic lattice thermal conductivity of semiconductors from first principles

10.1063/1.2822891

Crossref journal-article

AIP Publishing

Applied Physics Letters (317)

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 formalism with density functional calculations of harmonic and anharmonic interatomic force constants. Without any fitting parameters, we obtain excellent agreement (&lt;5% difference at room temperature) between the 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.

Bibliography

Broido, D. A., Malorny, M., Birner, G., Mingo, N., & Stewart, D. A. (2007). Intrinsic lattice thermal conductivity of semiconductors from first principles. Applied Physics Letters, 91(23).

Authors 5

D. A. Broido (first)
M. Malorny (additional)
G. Birner (additional)
Natalio Mingo (additional)
D. A. Stewart (additional)

References 32 Referenced 836

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Dates

Type	When
Created	17 years, 8 months ago (Dec. 7, 2007, 6:28 p.m.)
Deposited	2 years, 1 month ago (July 2, 2023, 11:28 a.m.)
Indexed	3 hours, 21 minutes ago (Aug. 22, 2025, 12:48 a.m.)
Issued	17 years, 8 months ago (Dec. 3, 2007)
Published	17 years, 8 months ago (Dec. 3, 2007)
Published Online	17 years, 8 months ago (Dec. 7, 2007)
Published Print	17 years, 8 months ago (Dec. 3, 2007)

Funders 0

None

BibTeX

@article{Broido_2007, title={Intrinsic lattice thermal conductivity of semiconductors from first principles}, volume={91}, ISSN={1077-3118}, url={http://dx.doi.org/10.1063/1.2822891}, DOI={10.1063/1.2822891}, number={23}, journal={Applied Physics Letters}, publisher={AIP Publishing}, author={Broido, D. A. and Malorny, M. and Birner, G. and Mingo, Natalio and Stewart, D. A.}, year={2007}, month=dec }

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