Naji Nasir, H., M. Abduljalil, H., A. Abdulsattar, M. (2013). Study The Effect Of Sulfur Atoms On The Electronic Structure For The Gallium Arsenide Nanocrystals Of Eight Atoms. , 21(5), 1794-1802.
Hamsa Naji Nasir; Hayder M. Abduljalil; Mudar A. Abdulsattar. "Study The Effect Of Sulfur Atoms On The Electronic Structure For The Gallium Arsenide Nanocrystals Of Eight Atoms". , 21, 5, 2013, 1794-1802.
Naji Nasir, H., M. Abduljalil, H., A. Abdulsattar, M. (2013). 'Study The Effect Of Sulfur Atoms On The Electronic Structure For The Gallium Arsenide Nanocrystals Of Eight Atoms', , 21(5), pp. 1794-1802.
Naji Nasir, H., M. Abduljalil, H., A. Abdulsattar, M. Study The Effect Of Sulfur Atoms On The Electronic Structure For The Gallium Arsenide Nanocrystals Of Eight Atoms. , 2013; 21(5): 1794-1802.

Study The Effect Of Sulfur Atoms On The Electronic Structure For The Gallium Arsenide Nanocrystals Of Eight Atoms

Journal of University of Babylon
Article 1, Volume 21, Issue 5, 2013, Pages 1794-1802
Authors
Hamsa Naji Nasir; Hayder M. Abduljalil; Mudar A. Abdulsattar
Abstract
Ab initio restricted Hartree-Fock (RHF) method coupled with the large unit cell method (LUC) is used to simulate 8 atoms GaAs nanocrystals. To determine the electronic structure and some physical properties (total energy- the degeneracy of energy levels- the ionicity). The present work has been divided into two parts core part and surface part where in core part we used eight GaAs nanocrystal atoms while we used four sulfur atoms in the surface in one direction Z-axis. We reached that the best value to the lattice constant to GaAs nanocrystal is 5.18 A and the surface is readused the energy gap.
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