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Preparation, Structure, And Electronic Properties Of Amorphous Gaas By Tight-Binding Molecular Dynamics

Published online by Cambridge University Press:  15 February 2011

C. Molteni ,
L. Colombo  and
L. Miglio
C. Molteni
Affiliation:
Dipartimento di Fisica - Universita di Milano, via Celoria 16, 20133 MILANO (Italy)
L. Colombo
Affiliation:
Dipartimento di Fisica - Universita di Milano, via Celoria 16, 20133 MILANO (Italy)
L. Miglio
Affiliation:
Dipartimento di Fisica - Universita di Milano, via Celoria 16, 20133 MILANO (Italy)
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Abstract

We investigate the short-range structural properties of a-GaAs as obtained in a computer experiment based on a tight-binding molecular dynamics simulation. The amorphous configuration is obtained by quenching a liquid sample well equilibrated at T=1600 K. A detailed characterization of the topology and defect distribution of the amorphous network is presented and discussed. The electronic structure of our sample is calculated as well. Finally, we discuss the reliability and transferability of the present computational scheme for large-scale simulations of compound semiconductor materials by comparing our results to first-principles calculations.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 321: Symposium E – Crystallization and Related Phenomena in Amorphous Materials—Ceramics, Metals, Polymers, and Semiconductors , 1993 , 135
Copyright
Copyright © Materials Research Society 1994

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References

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