DOI: 10.1063/1.460135. Electronic structure of small GaAs clusters

Electronic structure of small GaAs clusters

10.1063/1.460135

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

The electronic structure of small GaxAsy clusters (x+y≤10) are calculated using the local density method. The calculation shows that even-numbered clusters tend to be singlets, as opposed to odd-numbered clusters which are open shell systems. This is in agreement with the experimental observations of even/odd alternations of the electron affinity and ionization potential. In the larger clusters, the atoms prefer an alternating bond arrangement; charge transfers are observed from Ga sites to As sites. This observation is also in agreement with recent chemisorption studies of ammonia on GaAs clusters. The close agreement between theoretical calculations and experimental results, together with the rich variation of electronic properties of GaAs clusters with composition makes GaAs clusters an ideal prototype system for the study of how electronic structure influences chemical reactivity.

Bibliography

Lou, L., Wang, L., Chibante, L. P. F., Laaksonen, R. T., Nordlander, P., & Smalley, R. E. (1991). Electronic structure of small GaAs clusters. The Journal of Chemical Physics, 94(12), 8015â8020.

Authors 6

L. Lou (first)
L. Wang (additional)
L. P. F. Chibante (additional)
R. T. Laaksonen (additional)
P. Nordlander (additional)
R. E. Smalley (additional)

References 28 Referenced 118

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Dates

Type	When
Created	23 years, 1 month ago (July 26, 2002, 8:20 a.m.)
Deposited	1 year, 6 months ago (Feb. 10, 2024, 8:12 a.m.)
Indexed	1 year ago (Aug. 2, 2024, 9:15 a.m.)
Issued	34 years, 2 months ago (June 15, 1991)
Published	34 years, 2 months ago (June 15, 1991)
Published Print	34 years, 2 months ago (June 15, 1991)

Funders 0

None

BibTeX

@article{Lou_1991, title={Electronic structure of small GaAs clusters}, volume={94}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.460135}, DOI={10.1063/1.460135}, number={12}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Lou, L. and Wang, L. and Chibante, L. P. F. and Laaksonen, R. T. and Nordlander, P. and Smalley, R. E.}, year={1991}, month=jun, pages={8015–8020} }

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