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Physical Properties of Confined Silicon Structures Using EDIP

[+] Author Affiliations
José Pascual-Gutiérrez, Jayathi Y. Murthy, Raymond Viskanta

Purdue University

Paper No. IMECE2006-16105, pp. 583-591; 9 pages
  • ASME 2006 International Mechanical Engineering Congress and Exposition
  • Heat Transfer, Volume 1
  • Chicago, Illinois, USA, November 5 – 10, 2006
  • Conference Sponsors: Heat Transfer Division
  • ISBN: 0-7918-4784-5 | eISBN: 0-7918-3790-4
  • Copyright © 2006 by ASME


Physically confined structures such as thin films and nanowires are becoming increasingly important in the energy and electronics sectors. This has resulted from the ability to tailor nanostructures to yield physical properties that are significantly different from bulk. The main focus of this work is to examine how physical confinement in one and two dimensions affects the phonon wave vector spectrum within the first Brillouin zone of silicon thin films and silicon nanowires. Dispersion curves as well as density of states (DOS) are obtained using the dynamical matrix approach and a harmonic approximation to the three-body environmentally-dependent interatomic potential (EDIP). It is also shown how these changes in the phonon spectrum for both films and wires affect the volumetric specific heat with respect to bulk. The simulations are carried out assuming ideal free-standing boundary conditions. It is shown that confinement effects on the phonon specific heat are only important below 5 mm for both silicon films and wires.

Copyright © 2006 by ASME
Topics: Silicon



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