Size-Dependence of the Linear and Nonlinear Optical Properties of GaN Nanoclusters
AIR FORCE RESEARCH LAB KIRTLAND AFB NMSPACE VEHICLES DIRECTORATE
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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 GaN 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.
- Inorganic Chemistry
- Atomic and Molecular Physics and Spectroscopy