Sharif Digital Repository

In this thesis, the transmission characteristics of a vertical tunneling transistors based on graphene-hBN-MoSe2 heterostructure is studied. We first obtain the tight-binding parameters required for Hamiltonian matrix and bandstructure calculations using density functional theory results. Once we have the tight-binding parameters, Hamiltonian and coupling matrices are calculated both of size 326×326. We then proceed to calulate the density of stated for source and drain contacts using the aforementioned matrices and nonequilibrium Green’s function(NEGF) formalism. We can then calculate the quantum capacitances of source and drain and acquire source/drain potentials using a capacitive circuit... 

In this thesis, a field-effect transistor using armchair bilayer grapheme nanoribbon as channel material in simulated. In first, electronic property of bilayer graphene and bilayer graphene nanoribbons using tight binding are studied. Transport properties of transistor, sush as transsmition and density of carriers, are studied by self-consistently solving poisson equation and Non-Equilibrium Green’s Function. Finally, I-V characteristics of the transistor can be obtained using the Landauer formula.
Also, effect of Stone-Wales defect on bandstructure and transmission of armchair bilayer grapheme nanoribbon is investigated. This defect increases energy gap and broadens egergy bands in... 

In this work, we have simulated graphene nanoribbon based photodetector and impact of changing the width, and Boron-Nitride doping and Stone-Wales defects on the optical properties of GNR has study. The energy band structure of GNR with nearest-neighbor approximation in a tight binding model calculated. To correspond with experiment and accuracy, we need to consider the impact of third nearest neighbors and edge bond relaxation. By Using the band structure, we calculated joint density of state and optical matrix elements and obtain inter band selection rule for A-GNR and Z-GNR. Then, using the Fermi’s golden rule, we investigate optical properties of GNR such as optical conductivity and... 

Magnetization have an important role in spintronic devices based on graphene. In this study the effect of stone-wales and vacancy defect on electrical and magnetic properties of zigzag and armchair graphene nanoribbons were investigated. Calculations are performed using tight-binding and hubard model combining with Green's function techniques. When the balance between A and B sub-lattices gets disturbed, magnetization will be appeared. In stone-wales defect we have local magnetization because of changing the position of sub-lattices and the total magnetization is zero. In addition the stone-wales defect can change and modify the band structures and band gaps. Vacancy of carbon atom in... 

In this thesis, a field effect transistor (FET) using armchair graphene nanoribbon as the channel is simulated, and the effects of changing nanoribbon width and length, as well as adding defects, are also studied. To obtain the Hamiltonian matrix and the energy band structure of graphene nanoribbon, tight binding method is used in which the first and third neighbor approximation is considered. Also, to maximize accuracy, we also considered the edge bond reconstruction. To obtain the transport characteristics of the transistor, such as the transmission coefficient and the density of states (DOS), Poisson and Schrodinger equations are solved self-consistently. We used the nonequilibrium... 

In this thesis, we consider a simple layered structure grown along [001] direction. Based on the previous works we show that the energy spectrum contains linear Dirac spectrum of type II tilted in some direction. We also investigate the anomalous transport phenomena in the bilayer structures grown along [111] direction of a class of perovskites. The crystal field splits the d orbitals into two classes dubbed as eg and t2g described by different Hamiltonians within each manifold. An applied magnetic field breaks the time reversal symmetry and we show that the tight-binding bands acquire non-zero Chern numbers underlying the existence of non-trivial band topology in these structures. Again...