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Electronic Properties of Liquid Silicon

Published online by Cambridge University Press:  25 February 2011

J. Q. Broughton  and
P. B. Allen
J. Q. Broughton
Affiliation:
Department of Materials Science, State University of New York at Stony Brook Stony Brook, New York 11794
P. B. Allen
Affiliation:
Department of Physics, State University of New York at Stony Brook Stony Brook, New York 11794
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Abstract

The electronic properties of liquid silicon were computed by coupling molecular dynamics and tight binding methods. By employing the Stillinger-Weber potential, atomic configurations of liquid Si at 1740°C were generated by molecular dynamics. Tight binding parameters chosen to fit fcc,bcc, simple cubic and diamond cubic band structures of silicon, were then used to obtain the electronic properties of the system. All states within 10eV of the Fermi level are found to be delocalized, the density of states spectrum similar (but much broadened) to that of diamond cubic silicon and the optical conductivity is found to be almost featureless with no Drude behavior.

Type
Articles
Information
MRS Online Proceedings Library (OPL) , Volume 63: Symposium R – Computer-Based Microscopic Description of the Structure and Properties of Materials , 1985 , 13
Copyright
Copyright © Materials Research Society 1986

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References

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