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

Two methods are used to simulate electronic structure of gallium arsenide nanocrystals. The cluster full geometrical optimization procedure which is suitable for small nanocrystals and large unit cell that simulates specific parts of larger nanocrystals preferably core part as in the present work. B...

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Bibliographic Details
Main Authors: Hamsa Naji Nasir, Mudar A. Abdulsattar, Hayder M. Abduljalil
Format: Article
Language:English
Published: Wiley 2012-01-01
Series:Advances in Condensed Matter Physics
Online Access:http://dx.doi.org/10.1155/2012/348254
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