Master Degree / Yüksek Lisans Tezleri
Permanent URI for this collectionhttps://hdl.handle.net/11147/3008
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Master Thesis Spin-Spin Interactions of Magnetic Impurities in Graphene Nanoribbons(Izmir Institute of Technology, 2019) Kolay, Anıl; Güçlü, Alev Devrim; Güçlü, Alev Devrim; 04.05. Department of Pyhsics; 04. Faculty of Science; 01. Izmir Institute of TechnologyIn 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 Effects of Random Atomic Disorder on Electronic and Magnetic Properties of Graphene Nanoribbons(Izmir Institute of Technology, 2018) Çakmak, Korhan Ertan; Güçlü, Alev Devrim; Güçlü, Alev Devrim; 04.05. Department of Pyhsics; 04. Faculty of Science; 01. Izmir Institute of TechnologyIn 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.