Thermal conductivity of diamond nanowires from first principles

Wu Li, Natalio Mingo, L. Lindsay, D. A. Broido, D. A. Stewart, and N. A. Katcho
Phys. Rev. B 85, 195436 – Published 17 May 2012

Abstract

Using ab initio calculations we have investigated the thermal conductivity (κ) of diamond nanowires, unveiling unusual features unique to this system. In sharp contrast with Si, κ(T) of diamond nanowires as thick as 400 nm still increase monotonically with temperature up to 300 K, and room-temperature size effects are stronger than for Si. A marked dependence of κ on the crystallographic orientation is predicted, which is apparent even at room temperature. [001] growth direction always possesses the largest κ in diamond nanowires. The predicted features point to a potential use of diamond nanowires for the precise control of thermal flow in nanoscale devices.

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  • Received 23 March 2012

DOI:https://doi.org/10.1103/PhysRevB.85.195436

©2012 American Physical Society

Authors & Affiliations

Wu Li1,*, Natalio Mingo1,†, L. Lindsay2, D. A. Broido3, D. A. Stewart4, and N. A. Katcho1

  • 1CEA-Grenoble, 17 Rue des Martyrs, Grenoble 38000, France
  • 2Naval Research Laboratory, Washington, D.C. 20375, USA
  • 3Department of Physics, Boston College, Chestnut Hill, Massachusetts 02467, USA
  • 4Cornell Nanoscale Facility, Cornell University, Ithaca, New York 14853, USA

  • *wu.li@cea.fr
  • natalio.mingo@cea.fr

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Issue

Vol. 85, Iss. 19 — 15 May 2012

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