Tag Archives: ab-initio- Hartree-Fock

The Effect of Concentration on the Electronic Properties of Alxin1-Xsb Nanocrystals (Published)

AlxIn1-xSb nanocrystals have been studied using ab-initio calculations. The electronic properties were simulated using different core atoms ( usualy 8, 16, 54 and 64). The calculations uesd showed a that the concentration increament effects on the crystal size. All calculations were done using Gaussian 03 code with Hartree-Fock calculation with the GGA approximation.

Keywords: GGA, Nanocrystals, ab-initio- Hartree-Fock