Master Degree / Yüksek Lisans Tezleri

Permanent URI for this collectionhttps://hdl.handle.net/11147/3008

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Author: search.filters.author.Güçlü, Alev Devrim

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Now showing 1 - 7 of 7
  • Master Thesis
    Electronic Properties of Artificial Graphene Nanostructure
    (01. Izmir Institute of Technology, 2021) Okcu, Emre; Güçlü, Alev Devrim
    Artificial graphene is an artificial honeycomb structure which mimics the interesting properties of graphene. Such as Dirac cone in energy dispersion, zero band gap etc. Wide range of production type makes artificial graphene valuable material. It can be engineered by lasers, molecules and semiconductors. Semiconductor based artificial graphene can be produced by dot lattice with honeycomb patterned attractive potential or by antidot lattice with triangular patterned repulsive potential. In the following calculations, semiconductor (GaAs) based artificial graphene was used to compute electronic properties. Like in graphene, artificial graphene has Dirac cones in energy dispersion. However, graphene has 1.42 angstrom carbon to carbon atom distance. This distance can not be changed but artificial graphene offers us tunability. Different parameters yield tons of band structure. It offers not only Dirac cone but also gaped bands in energy dispersion. This graphene-like feature and tunability make artificial graphene an important and researchable subject. Besides, we added another tunable parameter stiffness to control the shape of potential. Stiffness became another important parameter in our calculations. We observed that stiffness dramatically changes the band structure of the material. As a first step, artificial graphene band structures are calculated from the single-electron approximation. Some parameters are compared with other works and the same results are found. Dirac cones are achieved in band structures. Hopping and Hubbard U values are computed. Those parameters are essential for computing finite structures. Mean-field Hubbard can be solved, and wave functions can be used as input for input required methods such as quantum Monte Carlo. As a second step, we used the density functional theory method to investigate electron-electron interactions. Local density approximation was chosen to solve the Kohn-Sham equation. Hopping parameters obtained from DFT are much realistic than the single-electron approximation. Stiffness plays a big role in DFT energy dispersio
  • Master Thesis
    Coulomb Impurities in Graphene Quantum Dots in a Magnetic Field
    (01. Izmir Institute of Technology, 2021) Eren, İsmail; Güçlü, Alev Devrim
    In this thesis, we investigate the atomic collapse of Graphene Quantum Dots (GQDs) in a magnetic field with the tight-binding (TB) model and mean-field Hubbard (MFH) approximation. We placed a charged impurity at the center of GQDs, and we systematically investigated the atomic collapse effect in the magnetic field by adjusting the charge of the impurity, size of the quantum dots, and magnitude of the magnetic field. It is shown that the electronic state with the lowest energy of Graphene resembled the same effect of the lowest bound state (TLBS) of atomic collapse. We confirmed the earlier findings, and we showed that the required critical charges of TLBS of the GQDs to collapse below the Fermi level are almost equal. Additionally, we investigate the formation of resonance states of GQDs, and among these resonance states, we study the evolution of the first-formed resonance state (R1). Applying a perpendicular magnetic field to GQD, decreased the critical charge of each structure, and we found that the decrease is dependent on the dot size. Moreover, we also found that TLBS of GQDs of varying sizes are crossed each other at a particular impurity charge and energy. We used the relation between the magnetic field and magnetic length (lB), and we compared B with the radius of the GQD (RGQD) in varying sizes. We found that TLBS of a GQD still converges to a particular crossing point (in terms of impurity charge and energy) as in no magnetic field when lB > RGQD. However, TLBS of a GQD diverges from the crossing point when lB < RGQD. It is studied that the continuum form of the R1 state became a chain of separated Landau levels in a magnetic field. Here we show that Landau level formation is more noticeable, and the inter-level separation of the Landau levels becomes more prominent when the lB < RGQD. Lastly, we investigated the atomic collapse of the Hofstadter's butterflies in GQDs. We found that increasing the impurity charge collapsed the energy levels. Also, increasing the impurity charge decreased (increased) the local density of states of the impurity center at the top (bottom) part of the spectrum of the Hofstadter's butterflies.
  • Master Thesis
    Travel Time in Quantum Theory and Ionization Times of Noble Gases
    (01. Izmir Institute of Technology, 2020) Paçal, Serkan; Güçlü, Alev Devrim
    Time in Quantum mechanics, stands as an unresolved problem from the first time the theory was established to the present day. The present thesis consists of three main studies, in the first part, some time formulas that have been proposed in the past are included. In the second part, time is formulated by using David Bohm's "the guiding equation". In the third part, time formula has been applied to atomic potentials (He, Ar and Kr noble gases) for which time measurements done. It has been shown that the ionization time of the noble gases we have calculated gives results very compatible with the experiments.
  • Master Thesis
    Spin-Spin Interactions of Magnetic Impurities in Graphene Nanoribbons
    (Izmir Institute of Technology, 2019) Kolay, Anıl; Güçlü, Alev Devrim
    In this thesis, we investigate the interaction between two impurity adatoms with high magnetic moment which are located on zigzag graphene nanoribbons that consist of 10516 atoms. The magnetic adatoms communicate with other trough the host electrons such as Ruderman-Kittel-Kasuya-Yoshida (RKKY) interactions. Firstly, in order to numerically calculate the two impurity Anderson model, we use quantum Monte Carlo technique. When the impurity adatoms are located far from edges, the results we obtained are consistent whit the bulk graphene results in the literature. On the other hand, the specific location and orientation of adatoms on the sublattices, significantly affects the spin-spin correlations of the two impurities. However, we observe that while the adatoms approach to the edges, significant differences occur due to the edge effect of zigzag graphene nanoribbon. As a results of this, we found that the magnetic correlations can be also enhanced if the adatoms belong to the same sublattice as the edga atoms, since the states of the adatoms hybridize with edge states. Moreover, we show that chaning chemical potential can crucially affect the magnitude of the correlations of the adatoms, and may lead to aphase transitions from ferromagnetic to antiferromagnetic or vice versa. Besides, we observe that when the width of the zigzag graphene nanoribbons is decreased, the spin-spin correlations are affected.On the other hand, we also calculated spin-spin correlations using mean-field approximation for themean-field Anderson model. We found that results significantly differ from quantum Monte Carlo results. In addition, when the electron-electron interations of he host atoms are taken into account, crucial differences are obtained at the impurity correlations.
  • Master Thesis
    Disorder Induced Electronic and Magnetic Properties of Graphene Quantum Dots
    (Izmir Institute of Technology, 2019) Kul, Erdoğan Kul; Güçlü, Alev Devrim
    In this thesis, we aim to study magnetic properties of hexagonal shaped graphene quantum dots with armchair edge in the case of atomic collapse by modelling two vacancies on it. The measured relativistic electron transport property of the graphene allows us to observe the phenomenon called "atomic collapse" in a small energy scale which existence is proven theoretically before for atoms whose atomic number is higher than 170. First we modelled a Coulomb potential at the center of a hexagonal shaped and armchair edged GQD and examined by using tight-binding method. We obtain similar results with previous works. After that, we started to study magnetic properties of the dot by meanfield Hubbard method which includes spins into calculation. We modelled a vacancy close to the center of the dot and examined electronic and magnetic properties by MFH metod. Also we modelled two vacancies on the dot that we changed the distance between them and the direction respectively. Also by applying Coulomb potential at the center of the vacancies we examined magnetic behaviour at the atomic collapse regime. Also, we compared our results with the works obtained by using RKKY (Ruderman-Kittel- Kasuya-Yosida) interaction method which considers the indirect interactions of magnetic impurities that uses electrons of metallic substrates. We found that increasing Coulomb potential and increasing distance between the vacancies, reduces correlations of electrons around the vacancies. The ground state energy difference between ferromagnetic and antiferromagnetic systems, that proportional to interaction strength, shows similar behaviour that has been observed by using RKKY method. Also if we take out two atoms from the same sublattice and with the same spin property, changing Coulomb potential leads to ferromagnetic-anti-ferromagnetic phase transition, independent from the atomic collapse behaviour. Also we observed that there is no direct link between the magnetic transition and the energy difference of the vacancy states.
  • Master Thesis
    Effects of Random Atomic Disorder on Electronic and Magnetic Properties of Graphene Nanoribbons
    (Izmir Institute of Technology, 2018) Çakmak, Korhan Ertan; Güçlü, Alev Devrim
    In this thesis, We investigate the effects of randomly distributed atomic defects on the magnetic and electronic properties of graphene nanoribbons with zigzag edges using an extended mean-field Hubbard model. We show that electron-electron interaction effects not only make defect states robust as compared with the tight-binding results,but also make edge states fragile even at low defect concentration for clean edge sites. For a balanced defect distribution among the sublattices of the honeycomb lattice in the bulk region of the ribbon, the ground state antiferromagnetism of the edge states remains unaffected. By analyzing the excitation spectrum, we show that while the antiferromagnetic ground state is susceptible to single spin flip excitations from edge states to magnetic defect states at low defect concentrations, it’s overall stability is enhanced with respect to the ferromagnetic phase. Then, we investigated Anderson localization induced metal to insulator transition by a localization length in nanometer scale up to 5% vacancy concentration by using time dependent results. We found that, Anderson localization is stronger at the vicinity of Fermi level energy states since those states are becoming full of impurity states and edge states, mixed.
  • Master Thesis
    Electronic, Magnetic and Optical Properties of Graphene Nanoribbons
    (Izmir Institute of Technology, 2016) Özdemir, Hakan Ulaş; Güçlü, Alev Devrim
    In this thesis, electronic, magnetic and optical properties of graphene nanoribbons are investigated within mean-field Hubbard model with two different disorder type; long and short range in finite and cyclic topology. First we investigated combined effect of electron-electron interaction effects and long range potential fluctuations. In both of the geometries, electron-electron interaction effects make edge states robust against disorders. Furthermore, surprisingly, strong enough disorder causes system to experience a phase transition from antiferromagnetically coupled edge states to ferromagnetic coupling in agreement with recent theoretical and experimental studies. Then, the stability of optical conductance under impurity effects, correlation between optical characteristic and magnetic phase of ZGNR is investigated, respectively. Similar to edge state density profile recovery, electronic interaction effects reduce the impurity induced peak around Fermi level. More importantly, we found distinct optical transitions due to edge-bulk mixed states around Fermi level that can be used to detect whether ZGNR is in antiferromagnetic or ferromagnetic phase. Finally, we investigated the disorder induced metalinsulator transition. Since, long range impurities protect the sublattice symmetry and leads to phenomena known as ”absence of backscattering”, there exist minimum conductivity for graphene. On the other hand, in order to model hydrogenation effects, we used short range impurity potential which breaks the sublattice symmetry. Using a time dependent tight binding model, we observed Anderson localization induced metal to insulator transition with a nanometer scale localization length for 2% hydrogen coverage. We found that, Anderson localization is stronger at high energy valence states since those states are more vulnerable to hydrogenation.