Electronic Structure of Hydrogenated and Surface-Modified GaAs Nanocrystals: Ab Initio Calculations

<table>The variation of bond length between atoms starting from the arsenide hydrogenated surface (H–As bond) until we reach the tenth layer at the hydrogenated gallium surface (Ga–H bond) of the nanocrystal using cluster-HF geometrical optimization.</table>

Advances in Condensed Matter Physics

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Figure 4

Figure 4: Electronic Structure of Hydrogenated and Surface-Modified GaAs Nanocrystals: Ab Initio Calculations 