Master Degree / Yüksek Lisans Tezleri
Permanent URI for this collectionhttps://hdl.handle.net/11147/3008
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Master Thesis Investigation of Anharmonic Effects in Phonon Transport(Izmir Institute of Technology, 2018) Çınar, Mustafa Neşet; Sevinçli, Haldun; Çakır, ÖzgürPhonons are quantum mechanical particles corresponding to ionic vibrations. They are similar to electrons in a way that they interact with other particles and defects, and they are responsible for thermal conduction in insulators like electrons are responsible for electrical conduction in conductors. Most of the physical properties due to ionic vibrations can be determined by using harmonic approximation which consider phonons as independent quantum mechanical harmonic oscillators having quadratic potentials depending on the displacements of atoms in their equilbirium positions. However, there are some physical processes such as finite thermal conductivity and thermal expansion which cannot be explained with only harmonic phonons. To investigate these physical processes anharmonicity needs to be taken into account. Anharmonicity is related to the higher order terms in the interatomic potential and corresponds to phonon-phonon interactions. The strength of these interactions depends on the temperature which is related to the available thermal energy, or, the number of phonons given by the Bose-Einstein distribution. In this thesis, the effects of anharmonicity on quantum thermal transport are studied in nanoscale systems by using Green functions. Non-Equilibrium Green Functions (NEGF) method is a perturbative approach to study transport properties of both electronic and phononic systems. Anharmonic terms in interatomic potential are incorporated into NEGF method in the form of a self-energy which can be computed self-consistently. This approach provides high accuracy with high computational cost. As an alternative, mean field technique is computationally more feasible which allows to do calculations for larger systems. In this study, we investigate anharmonic transport properties of one-dimensional chains using NEGF method. Our calculations involve self-energies of third and fourth order anharmonic terms. In addition, mean field calculation for fourth order anharmonicity is performed for comparison.Master Thesis Electronic, Magnetic and Optical Properties of Graphene Nanoribbons(Izmir Institute of Technology, 2016) Özdemir, Hakan Ulaş; Güçlü, Alev DevrimIn 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.