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On the influence of short and medium range order on the material band gap in hydrogenated amorphous silicon

J. Appl. Phys. 96, 3818 (2004); doi:10.1063/1.1772876

Issue Date: 1 October 2004

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A. H. Mahan
National Renewable Energy Laboratory, 1617 Cole Boulevand, Golden, Colorado 80401

R. Biswas
Physics Department and Microelectronics Research Center, Iowa State University, Ames, Iowa 50011

L. M. Gedvilas
National Renewable Energy Laboratory, 1617 Cole Boulevand, Golden, Colorado 80401

D. L. Williamson
Physics Department, Colorado School of Mines, Golden, Colorado 80401

B. C. Pan
Physics Department and Microelectronics Research Center, Iowa State University, Ames, Iowa 50011 and Physics Department, University of Science and Technology of China, Hefei 230026, China
We examine different types of order measured in hydrogenated amorphous silicon (a-Si:H) and their effect on the optical absorption (band gap). We first review previous experimental work determining order on a short-range scale as probed by Raman spectroscopy, and provide, using molecular dynamics simulations, a theoretical explanation for why the band gap increases when this type of ordering is improved. We then present results on a-Si:H films deposited by hot wire chemical vapor deposition (CVD) and plasma enhanced CVD where the short-range order, from Raman spectroscopy, does not change, but order on a larger or medium-range scale does. This order is determined by measuring the width of the first x-ray diffraction peak, and was varied by depositing films at different substrate temperatures and/or different hydrogen dilutions. We find that the film band gap also increases when this type of ordering improves, and we provide a possible mechanism to explain these trends. We also suggest that much of the previous literature showing an increase in band gap with increasing film hydrogen content should be treated with caution, as these works may not have accurately deconvoluted the effects of optical adsorption due to film hydrogenation from those due to both types of lattice ordering. Finally, we argue that this same trend may apply, to a limited extent, to microcrystalline silicon. ©2004 American Institute of Physics
History: Received 20 January 2004; accepted 21 May 2004
Permalink: http://link.aip.org/link/?JAPIAU/96/3818/1
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KEYWORDS and PACS

Keywords
PACS
  • 68.55.Jk
    Thin film structure and morphology; thickness; crystalline orientation and texture
  • 78.66.Jg
    Optical properties of amorphous semiconductors; glasses (thin films)
  • 78.20.Ci
    Optical constants including refractive index, complex dielectric constant, absorption, reflection and transmission coefficients, emissivity
  • 68.47.Fg
    Semiconductor surfaces
  • 78.30.Ly
    Infrared and Raman spectra in disordered solids
  • 71.23.Cq
    Electronic structure of amorphous semiconductors, metallic glasses, glasses
  • 68.55.Ac
    Thin film nucleation and growth: microscopic aspects
  • YEAR: 2004

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PUBLICATION DATA

ISSN:
0021-8979 (print)   1089-7550 (online)
Publisher:
AIP is a member of CrossRef AIP

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