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

Molteni, C., Colombo, L., Miglio, L. (1994). Preparation, structure, and electronic properties of amorphous GaAs by tight-binding molecular dynamics. In CRYSTALLIZATION AND RELATED PHENOMENA IN AMORPHOUS MATERIALS (pp.135-140). Pittsburgh PA : Cambridge University Press.

Preparation, structure, and electronic properties of amorphous GaAs by tight-binding molecular dynamics

MIGLIO, LEONIDA
1994

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
paper
Amorphous GaAs
English
Symposium on Crystallization and Related Phenomena in Amorphous Materials, at the 1993 Fall Meeting of the Materials-Research-Society 29 November - 2 December
1993
Libera, M; Haynes, TE; Cebe, P; Dickinson, JE
CRYSTALLIZATION AND RELATED PHENOMENA IN AMORPHOUS MATERIALS
1-55899-220-0
1994
321
135
140
none
Molteni, C., Colombo, L., Miglio, L. (1994). Preparation, structure, and electronic properties of amorphous GaAs by tight-binding molecular dynamics. In CRYSTALLIZATION AND RELATED PHENOMENA IN AMORPHOUS MATERIALS (pp.135-140). Pittsburgh PA : Cambridge University Press.
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/10281/44143
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