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Scientific article
English

Structure, electronic properties and defects of amorphous gallium arsenide

Published inPhysical review. B, Condensed matter and materials physics, vol. 45, no. 23, p. 13378-13382
Publication date1992
Abstract

We have constructed a structural model of amorphous gallium arsenide by quenching from the melt, via first-principles molecular-dynamics simulations. The properties of our structure agree well with the available experimental information. We find that the predominant defects in this system are not wrong bonds, but threefold-coordinated atoms. Because of a relaxation mechanism similar to that occurring on the GaAs(110) surface, these do not yield states in the gap, but yield empty Ga and filled As dangling-bond states near the band edges.

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Citation (ISO format)
FOIS, E. et al. Structure, electronic properties and defects of amorphous gallium arsenide. In: Physical review. B, Condensed matter and materials physics, 1992, vol. 45, n° 23, p. 13378–13382. doi: 10.1103/PhysRevB.45.13378
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ISSN of the journal1098-0121
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