DOI: 10.1063/1.4948968. Cross-plane heat conduction in thin films with <i>ab-initio</i> phonon dispersions and scattering rates

Cross-plane heat conduction in thin films with ab-initio phonon dispersions and scattering rates

10.1063/1.4948968

Crossref journal-article

AIP Publishing

Applied Physics Letters (317)

Abstract

We present a first-principles study of the cross-plane thermal conductivity κ⊥ in a wide variety of semiconductor thin films. We introduce a simple suppression model that matches variance-reduced Monte Carlo simulations with ab-initio phonon dispersions and scattering rates within ≤5% even for anisotropic compounds. This, in turn, enables accurate κ⊥ reconstruction from tabulated cumulative conductivity curves κΣ(Λ⊥). We furthermore reveal, and explain, a distinct quasiballistic regime characterised by a fractional thickness dependence κ⊥∼L2−α in alloys (where α is the Lévy exponent) and logarithmic dependence κ⊥∼ln(L) in single crystals. These observations culminate in the formulation of two compact parametric forms for κ⊥(L) that can fit the first-principles curves across the entire ballistic-diffusive range within a few percent for all investigated compounds.

Bibliography

Vermeersch, B., Carrete, J., & Mingo, N. (2016). Cross-plane heat conduction in thin films with ab-initio phonon dispersions and scattering rates. Applied Physics Letters, 108(19).

Authors 3

Bjorn Vermeersch (first)
Jesús Carrete (additional)
Natalio Mingo (additional)

References 24 Referenced 46

10.1063/1.1524305 / J. Appl. Phys. (2003)
10.1063/1.4832615 / Appl. Phys. Rev. (2014)
10.1115/1.2910673 / ASME J. Heat Transfer (1993)
10.1115/1.1833367 / ASME J. Heat Transfer (2005)
10.1115/1.4000447 / ASME J. Heat Transfer (2010)
10.1063/1.4905590 / J. Appl. Phys. (2015)
10.1063/1.4919432 / J. Appl. Phys. (2015)
10.1109/TED.2006.877874 / IEEE Trans. Electron Devices (2006)
10.1063/1.1868876 / J. Appl. Phys. (2005)
10.1103/PhysRevB.87.035437 / Phys. Rev. B (2013)
10.1016/j.cpc.2014.02.015 / Comput. Phys. Commun. (2014)
{'volume-title': 'Length-Scale Dependent Phonon Interactions', 'year': '2014', 'first-page': '137', 'key': '2023061715193836300_c12'} / Length-Scale Dependent Phonon Interactions (2014)
10.1002/adma.200600527 / Adv. Mater. (2007)
10.1038/nature10677 / Nature (2011)
10.1038/nature13184 / Nature (2014)
10.1063/1.4895770 / Appl. Phys. Lett. (2014)
10.1103/PhysRevB.91.085202 / Phys. Rev. B (2015)
10.1103/PhysRevB.86.174307 / Phys. Rev. B (2012)
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{'volume-title': "Green's Functions in Quantum Physics", 'year': '1983', 'edition': '2nd ed.', 'key': '2023061715193836300_c20'} / Green's Functions in Quantum Physics (1983)
10.1103/PhysRevB.84.205331 / Phys. Rev. B (2011)
See supplementary material at http://dx.doi.org/10.1063/1.4948968 for tabulated cumulative conductivity functions. (10.1063/1.4948968)
10.1103/PhysRevB.91.085203 / Phys. Rev. B (2015)
10.1063/1.4826526 / J. Appl. Phys. (2013)

Dates

Type	When
Created	9 years, 3 months ago (May 9, 2016, 1 p.m.)
Deposited	2 years, 2 months ago (June 17, 2023, 11:19 a.m.)
Indexed	34 minutes ago (Aug. 30, 2025, 7:20 a.m.)
Issued	9 years, 3 months ago (May 9, 2016)
Published	9 years, 3 months ago (May 9, 2016)
Published Online	9 years, 3 months ago (May 9, 2016)
Published Print	9 years, 3 months ago (May 9, 2016)

Funders 1

European Commission 10.13039/501100000780
Region: Europe
gov (National government)
Labels26
1. European Union
2. Comisión Europea
3. Europäische Kommission
4. EU-Kommissionen
5. Euroopa Komisjoni
6. Ευρωπαϊκής Επιτροπής
7. Европейската комисия
8. Evropské komise
9. Commission européenne
10. Choimisiúin Eorpaigh
11. Europskoj komisiji
12. Commissione europea
13. La Commissione europea
14. Eiropas Komisiju
15. Europos Komisijos
16. Európai Bizottságról
17. Europese Commissie
18. Komisja Europejska
19. Comissão Europeia
20. Comisia Europeană
21. Európskej komisii
22. Evropski komisiji
23. Euroopan komission
24. Europeiska kommissionen
25. EC
26. EU
Awards1
1. 645776

BibTeX

@article{Vermeersch_2016, title={Cross-plane heat conduction in thin films with ab-initio phonon dispersions and scattering rates}, volume={108}, ISSN={1077-3118}, url={http://dx.doi.org/10.1063/1.4948968}, DOI={10.1063/1.4948968}, number={19}, journal={Applied Physics Letters}, publisher={AIP Publishing}, author={Vermeersch, Bjorn and Carrete, Jesús and Mingo, Natalio}, year={2016}, month=may }

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