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Proceedings Paper

Semiempirical self consistent calculations of GaAs[III] surface reconstructions
Author(s): Shashikala Das; D. L. Dorsey
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Paper Abstract

Self-consistent semiempirical Molecular Orbital Programs MOPAC and MOSOL are used for studying the surface restructuring and energetics of gallium arsenide substrates. The total energy calculations of different cluster sizes to determine the binding energy of surface layer arsenic atoms indicate that proper bulk termination of the surface and inclusion of second nearest neighbors is very important. The comparison of our results with ab initio results is encouraging and indicates the potential of this approach for studying surface restructuring in semiconductors.

Paper Details

Date Published: 16 December 1992
PDF: 5 pages
Proc. SPIE 1622, Emerging Optoelectronic Technologies, (16 December 1992); doi: 10.1117/12.637051
Show Author Affiliations
Shashikala Das, Systran Corp. (United States)
D. L. Dorsey, Wright Lab. (United States)

Published in SPIE Proceedings Vol. 1622:
Emerging Optoelectronic Technologies
Krishna Shenai; Ananth Selvarajan; C. Kumar N. Patel; C. N. R. Rao; B. S. Sonde; Vijai K. Tripathi, Editor(s)

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