Calculation of electronic structure of a spherical quantum dot using a combination of quantum genetic algorithm and Hartree-Fock-Roothaan method
[ X ]
Date
2008
Journal Title
Journal ISSN
Volume Title
Publisher
World Scientific Publ Co Pte Ltd, 5 Toh Tuck Link, Singapore
Access Rights
info:eu-repo/semantics/closedAccess
Abstract
The electronic structure of Quantum Dot (QD), GaAs/AlxGa1-xAs, has been investigated by using a combination of Quantum Genetic Algorithm (QGA) and Hartree-Fock-Roothaan (HFR) method. One-electron system with an on-center impurity is considered by assuming a spherically symmetric confining potential of finite depth. The ground and excited state energies of one-electron QD were calculated depending on the dot radius and stoichiometric ratio. Expectation values of energy were determined by using the HFR method along with Slater-Type Orbitals (STOs) and QGA was used for the wave-functions optimization. In addition, the effect of the size of the basis set on the energy of QD was investigated. We also calculated the binding energy for a dot with finite confining potential. We found that the impurity binding energy increases for the finite potential well when the dot radius decreases. For the finite potential well, the binding energy reaches a peak value and then diminishes to a limiting value corresponding to the radius for which there are no bound states in the well. Whereas in previous study, in Ref. 40, for the infinite potential well, we found that the impurity binding energy increases as the dot radius decreases.
Description
Keywords
Electronic Structure of Spherical Quantum Dot, Quantum Genetic Algorithm, Hydrogenlike Impurity, Hartree-Fock Roothaan Method, Slater-type Orbital
Journal or Series
International Journal of Modern Physics C
WoS Q Value
N/A
Scopus Q Value
Q2
Volume
19
Issue
4
