Abstract
The electronic structure of the nanocrystallines and quasi-two-dimensional systems strongly impressed by the thermodynamic- behavior mainly due to excess of hidden surface free energy. Therefore, the stability of crystalline structure’s change could be related to band-offset of bond rupturing of atomic displacements. whereas for the electronic-structure of "Bi" it seams the competition of L.S and bond exchange should be effectively dominated. Besides all of the characters behave spatial like strong sensitive oxidation here it is supposed that strong correlated electronic structure in the absence of oxygen is resulted on direction of redistribution of surface chemical bond formation before any reconstructive structure. Where• The metallic direction of electronic structure “0 1 1” is changed to “1 1 1” semiconductor direction.• the effect of L.S is more evident on the local density of state while it is not observable around the fermi level.• Strong effect of spin-orbit interaction on splitting of the valance to nearly conduction band around the fermi level is more evident.
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