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Contribution of d-band electrons to ballistic transport and scattering during electron-phonon nonequilibrium in nanoscale Au films using an ab initio density of states

J. Appl. Phys. 106, 053512 (2009); doi:10.1063/1.3211310

Published 8 September 2009

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Patrick E. Hopkins
Engineering Sciences Center, Sandia National Laboratories, Albuquerque, New Mexico 87185-0346, USA

Derek A. Stewart
Cornell Nanoscale Science and Technology Facility, Cornell University, Ithaca, New York 14853-2700, USA
Electron-interface scattering during electron-phonon nonequilibrium in thin films creates another pathway for electron system energy loss as characteristic lengths of thin films continue to decrease. As power densities in nanodevices increase, excitations of electrons from sub-conduction-band energy levels will become more probable. These sub-conduction-band electronic excitations significantly affect the material's thermophysical properties. In this work, the role of d-band electronic excitations is considered in electron energy transfer processes in thin Au films. The electronic structure and density of states for gold are calculated using a plane wave pseudopotential density function approach. In thin films with thicknesses less than the electron mean free path, ballistic electron transport leads to electron-interface scattering. The ballistic component of electron transport is studied by a ballistic-diffusive approximation of the Boltzmann transport equation with input from ab initio calculations. The effects of d-band excitations on electron-interface energy transfer are analyzed during electron-phonon nonequilibrium after short pulsed laser heating in thin films. ©2009 American Institute of Physics
History: Received 20 April 2009; accepted 23 July 2009; published 8 September 2009
Permalink: http://link.aip.org/link/?JAPIAU/106/053512/1
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KEYWORDS and PACS

Keywords
PACS
  • 73.23.Ad
    Ballistic transport (mesoscopic systems)
  • 68.55.-a
    Thin film structure and morphology
  • 71.15.Mb
    Density functional theory, local density approximation, gradient and other corrections (condensed matter electronic structure)
  • 71.20.Be
    Electronic structure of crystalline transition metals and alloys
  • 63.20.kd
    Phonon-electron interactions
  • 72.15.Lh
    Relaxation times and mean free paths (metals/alloys)
  • YEAR: 2009

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ISSN:
0021-8979 (print)   1089-7550 (online)
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