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Structure, Composition and Optoelectronic Properties of Small Pyramidal Semiconductor Quantum Dots of Ga and In Atoms With As

Published online by Cambridge University Press:  01 February 2011

Liudmila A. Pozhar ,
Alan T. Yeates ,
Frank Szmulowicz  and
William C. Mitchel
Liudmila A. Pozhar
Affiliation:
[email protected], Western Kentucky University, Chemistry, 1906 College Heights Blvd., TCCW 444, Bowling Green, Kentucky, 42101-1079, United States, 270-745-8725, 270-745-5361
Alan T. Yeates
Affiliation:
[email protected], Air Force Research Laboratory, Materials and Manufacturing Directorate, United States
Frank Szmulowicz
Affiliation:
[email protected], Air Force Research Laboratory, Materials and Manufacturing Directorate, United States
William C. Mitchel
Affiliation:
[email protected], Air Force Research Laboratory, Materials and Manufacturing Directorate, United States
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Abstract

Electronic properties of small pyramidal clusters of Ga, In and As atoms are investigated using a multi-configuration self-consistent field approximation (MCSCF). The structure and composition of some of these (pre-designed) clusters have been derived from those of the symmetry elements of the corresponding bulk fcc lattices, to reflect the cluster formation in confinement or on surfaces. The counterpart (vacuum) clusters obtained without any spatial constraints applied to the atomic positions have also being synthesized computationally. It has been shown that manipulations with the cluster structure, composition and spatial constraints permit to engineer virtual (i.e., fundamental theory-based, computational) clusters with pre-designed electronic properties that can serve as prototypes for nanoscale heterostructure (NHS) units. Computational data so obtained are in agreement with existing experimental evidence concerning such pyramidal clusters.

Keywords

electronic structureoptoelectronicnanostructure
Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 891: Symposium EE – Progress in Semiconductor Materials V – Novel Materials and Electronics and Optoelectronic Applications , 2005 , 0891-EE02-04
Copyright
Copyright © Materials Research Society 2006

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References

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