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MOLECULAR DYNAMICS SIMULATIONS OF ELECTRONIC PROPERTIES OF a-SiC/c-Si HETEROJUNCTIONS

V. I. Ivashchenko1,* , P. E. A. Turchi2, L. A. Ivashchenko1

Affiliation

  1. Institute of Problems of Materials Science, NAS of Ukraine, Krzhyzhanovsky Str. 3, 03680 Kyiv, Ukraine
  2. Lawrence Livermore National Laboratory (L-353), P.O. Box 808, Livermore, CA 94551, USA

Abstract

Empirical molecular dynamics simulations combined with a recursion procedure are applied to study the atomic and electronic structures of a-SiC/c-Si heterojunctions. The heterojunctions are considered as the (001) silicon slabs covered with a-SiC thin films. The films are generated from the condensation of diluted Si-C vapour on the substrates similarly to the atom-by-atom deposition. One of the samples was annealed at different temperatures. The atomic and electronic properties of this sample were studied as a function of annealing temperature. The electronic structure was investigated. The main theoretical results on the a SiC/c-Si structure are in rather good agreement with experimental data..

Keywords

a-SiC/c-Si hetero-structure, Electronic structure, Gap states, Molecular dynamics.

Submitted at: Aug. 18, 2004
Accepted at: March 23, 2005

Citation

V. I. Ivashchenko, P. E. A. Turchi, L. A. Ivashchenko, MOLECULAR DYNAMICS SIMULATIONS OF ELECTRONIC PROPERTIES OF a-SiC/c-Si HETEROJUNCTIONS, Journal of Optoelectronics and Advanced Materials Vol. 7, Iss. 2, pp. 653-658 (2005)