Share
دراسة نظرية لعملية انتقال الالكترون خلال بعض التراكيب النانوية == Theoretical Study of Electron Transport Through Some Nanoelectronic Structures
Author name:
محمد عبد الامير عباس
Supervisor name:
فلاح حسن حنون | لافي فرج البدري
General topic:
Physics
Specific topic:
Physics
Degree:
Master
University:
University of Thi-Qar - College Of Science - Physics Department
Language:
English
University location:
Dhi Qar
First pages:
26T1603 - p.pdf
Abstract:
The present work is a theoretical study for the electronic properties of the electron transport process throughout some molecular structures. The investigated system is a left lead - donor - molecule - acceptor - right lead. The investigate molecule is one of the following structures (Phenyl, Biphenyl, Triphenyl, Naphthalene, Anthracene and Phenanthrene).A theoretical treatment of steady - state has been presented to express the transmission probability of the electron transport throughout ring structures. The Hamiltonian describing the system is the Anderson - Newns Hamiltonian with neglecting the spin and Coulomb interactions on the system. The treatment easily includes a magnetic flux effect on the transport process for any ring structure. Furthermore, the most important effects, taking into consideration, are quantum interference, gate voltage and bias voltage. The transmission probability is employed to calculate the conductance and electric current.Density functional theory (DFT) has also been used to calculate electronic properties of considered molecules, especially on the energy - band gap and density of states, and the distribution of electronic density (HOMO and LUMO). It has been ensured that all studied systems simulated using Caussian program 09 can be fabricated by utilizing their computed total energy.The quantum interference effect at typical values of magnetic flux was utilized to design quantum logic gates (XNOR gate and NAND gate) and nanoscale rectifier (half - wave rectifier and full - wave rectifier).
