THE ELECTRONIC PROPERTIES SIMULATION OF INDIUM NITRIDE (InN) WURTZITE NANOCRYSTAL USING DENSITY FUNCTIONAL THEORY WITH GENERALIZED GRADIENT APPROXIMATION
- Department of Physics, Faculty of Science and Health, Koya University, Erbil-Iraq.
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We have stimulated the electronic properties of wurtzite Indium Nitride by using density functional theory (DFT). The energy gap is size dependent at which Eg increase with decreasing the size of InN nanocrystals. Also the lattice constant behaves in the same way as energy gap do. The cohesive energy is also calculated for the InN nanocrystals for 4, 8, 32 and 64 core atoms. Results shows that the cohesive energy values become larger as the size of core atoms increases and we predict that when we go for larger sizes the value of the cohesive energy will tend to be the same value of bulk InN.
[Askander Khalid Kaka and Akram Hashim Taha. (2016); THE ELECTRONIC PROPERTIES SIMULATION OF INDIUM NITRIDE (InN) WURTZITE NANOCRYSTAL USING DENSITY FUNCTIONAL THEORY WITH GENERALIZED GRADIENT APPROXIMATION Int. J. of Adv. Res. 4 (Oct). 1493-1500] (ISSN 2320-5407). www.journalijar.com
