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Size-dependence of the Linear and Nonlinear Optical Properties of GaN Nanoclusters

Published online by Cambridge University Press:  01 February 2011

Andrew C. Pineda  and
Shashi P. Karna
Andrew C. Pineda
Affiliation:
US Air Force Research Laboratory, Space Vehicles Directorate, 3550 Aberdeen Ave, SE, Bldg. 914, Kirtland Air Force Base, New Mexico 87117–5776 The Center for High Performance Computing and Department of Chemistry, The University of New Mexico, MSC01 1190, 1 University of New Mexico, Albuquerque, NM 87131–0001
Shashi P. Karna
Affiliation:
US Army Research Laboratory, Weapons and Materials Directorate, ATTN: AMSRD-ARL-WMBD, Bldg. 4600, Aberdeen Proving Ground, MD 21005–5069
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Abstract

In this paper, we present the results of our first-principles quantum mechanical studies of the electronic structure, geometry, and linear and nonlinear optical (NLO) properties of tetrahedral Gam Nm (m=1, 4, 7, 17) atomic clusters. Our calculated results suggest that the linear and NLO properties both exhibit a strong dependence upon cluster size and shape (geometry). However, the size- and the geometry-dependences are more pronounced for the NLO properties than for the linear optical properties. For clusters containing equal numbers of Ga and N atoms, an open-structure with no network-forming ring has a much larger second-order NLO coefficient than a cluster with a closed ring structure.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 846: Symposium DD – Organic and Nanocomposite Optical Materials , 2004 , DD6.6
Copyright
Copyright © Materials Research Society 2005

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