Study of the electronic structure of indium gallium phosphide In0.5 Ga0.5 P nanocrystals

Abstract EN

The electronic structure of zinc blend indium gallium phosphide In0.5Ga0.5P nanocrystals which have dimension (2-2.8 nm) is investigated using the density functional theory coupled with large unit cell (LUC) for the different size core (8 , 16, 54, 64) atoms respectively.

The investigated properties include total energy, energy gap, conduction band, valence band, cohesive energy, ionicity and density of state etc.

as a function of core size and lattice constant.

Results show the shape effect of increasing the core size and lattice constant on these electronic properties.