Scopus İndeksli Yayınlar Koleksiyonu / Scopus Indexed Publications Collection
Permanent URI for this collectionhttps://hdl.handle.net/11147/7148
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Article Citation - WoS: 5Citation - Scopus: 5Defect Induced Anderson Localization and Magnetization in Graphene Quantum Dots(Elsevier, 2018) Altıntaş, Abdulmenaf; Güçlü, Alev DevrimWe theoretically investigate the effects of atomic defect related short-range disorders and electron-electron interactions on Anderson type localization and the magnetic properties of hexagonal armchair graphene quantum dots using an extended mean-field Hubbard model and wave packet dynamics for the calculation of localization lengths. We observe that randomly distributed defects with concentrations between 1 and 5% of the total number of atoms leads to localization alongside magnetic puddle-like structures. Although the localization lengths are not affected by interactions, staggered magnetism and localization are found to be enhanced if the defects are distributed unevenly between the sublattices of the honeycomb lattice.Article Citation - WoS: 7Citation - Scopus: 7Effects of Random Atomic Disorder on the Magnetic Stability of Graphene Nanoribbons With Zigzag Edges(American Physical Society, 2018) Çakmak, Korhan Ertan; Altıntaş, Abdulmenaf; Güçlü, Alev DevrimWe investigate the effects of randomly distributed atomic defects on the magnetic properties of graphene nanoribbons with zigzag edges using an extended mean-field Hubbard model. 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, its overall stability is enhanced with respect to the ferromagnetic phase.Article Citation - WoS: 7Citation - Scopus: 7Effects of Interedge Scattering on the Wigner Crystallization in Graphene Nanoribbons(American Physical Society, 2017) Modarresi, Mohsen; Güçlü, Alev DevrimWe investigate the effects of coupling between the two zigzag edges of graphene nanoribbons on the Wigner crystallization of electrons and holes using a combination of tight-binding, mean-field Hubbard and many-body configuration interaction methods. We show that the thickness of the nanoribbon plays a crucial role in the formation of Wigner crystal. For ribbon widths smaller than 16 Å, increased kinetic energy overcomes the long-range Coulomb repulsion and suppresses the Wigner crystallization. For wider ribbons up to 38 Å wide, strong Wigner localization is observed for an even number of electrons, revealing an even-odd effect also found in the Coulomb-blockade addition spectrum. Interedge correlations are found to be strong enough to allow simultaneous crystallization on both edges, although an applied electric field can decouple the two edges. Finally, we show that Wigner crystallization can also occur for holes, albeit weaker than for electrons.Article Citation - WoS: 8Citation - Scopus: 8Effects of Long-Range Disorder and Electronic Interactions on the Optical Properties of Graphene Quantum Dots(American Physical Society, 2017) Altıntaş, Abdulmenaf; Çakmak, K. E.; Güçlü, Alev DevrimWe theoretically investigate the effects of long-range disorder and electron-electron interactions on the optical properties of hexagonal armchair graphene quantum dots consisting of up to 10 806 atoms. The numerical calculations are performed using a combination of tight-binding, mean-field Hubbard, and configuration interaction methods. Imperfections in the graphene quantum dots are modeled as a long-range random potential landscape, giving rise to electron-hole puddles. We show that, when the electron-hole puddles are present, the tight-binding method gives a poor description of the low-energy absorption spectra compared to mean-field and configuration interaction calculation results. As the size of the graphene quantum dot is increased, the universal optical conductivity limit can be observed in the absorption spectrum. When disorder is present, the calculated absorption spectrum approaches the experimental results for isolated monolayers of graphene sheets.Article Citation - WoS: 16Citation - Scopus: 16Magnetic Phases of Graphene Nanoribbons Under Potential Fluctuations(American Physical Society, 2016) Özdemir, Hakan Ulaş; Altıntaş, Abdulmenaf; Güçlü, Alev DevrimWe investigate the effects of long-range potential fluctuations and electron-electron interactions on the electronic and magnetic properties of graphene nanoribbons with zigzag edges using an extended mean-field Hubbard model. We show that electron-electron interactions make the edge states robust against potential fluctuations. When the disorder is strong enough, the presence of electron-hole puddles induces a magnetic phase transition from antiferromagnetically coupled edge states to ferromagnetic coupling, in agreement with recent experimental results.Article Citation - WoS: 4Citation - Scopus: 4Wigner Crystallization at Graphene Edges(American Physical Society, 2016) Güçlü, Alev DevrimUsing many-body configuration interaction techniques, we show that Wigner crystallization occurs at the zigzag edges of graphene at surprisingly high electronic densities up to 0.8nm-1. In contrast with one-dimensional electron gas, the flatband structure of the edge states makes the system interaction dominated, facilitating electronic localization. The resulting Wigner crystal manifests itself in pair-correlation functions, and evolves smoothly as the edge electron density is lowered. We also show that the crystallization affects the magnetization of the edges. While the edges are fully polarized when the system is charge neutral (i.e., high density), above the critical density, the spin-spin correlations between neighboring electrons go through a smooth transition from antiferromagnetic to magnetic coupling as the electronic density is lowered.Article Citation - WoS: 10Citation - Scopus: 10Spin-Spin Correlations of Magnetic Adatoms on Graphene(American Physical Society, 2015) Güçlü, Alev Devrim; Bulut, NejatWe study the interaction between two magnetic adatom impurities in graphene using the Anderson model. The two-impurity Anderson Hamiltonian is solved numerically by using the quantum Monte Carlo technique. We find that the interimpurity spin susceptibility is strongly enhanced at low temperatures, significantly diverging from the well-known Ruderman-Kittel-Kasuya-Yoshida result which decays as R-3.Article Citation - WoS: 26Citation - Scopus: 26Theory of Optical Properties of Graphene Quantum Dots(John Wiley and Sons Inc., 2016) Özfidan, Işıl; Güçlü, Alev Devrim; Korkusinski, Marek; Hawrylak, PawelWe present here a theory of the optical properties of graphene quantum dots (GQDs) with tunable band gaps by lateral size confinement, from UV to THz. Starting from the Hartree-Fock ground state, we construct the correlated many-body ground and excited states of GQDs as a linear combination of a finite number of electron-hole pair excitations. We discuss the evolution of the band gap with size and its renormalization by self-energy and excitonic effects. We calculate and analyze the dipole moments of graphene quantum dots that possess a degenerate valence and conduction band edge, and construct a characteristic exciton and biexciton spectrum. We find an exciton band consisting of a pair of robust, spin singlet bright exciton states and a band of dark, spin singlet and spin triplet, exciton states at lower energies. We predict a characteristic band of biexciton levels at the band edge, discuss the Auger processes and identify a biexciton-exciton cascade. Our theoretical results are compared with experimental linear absorption and non-linear transient absorption spectra of colloidal GQDs. We next discuss the optical properties of triangular GQDs with zigzag edges whose magnetic moment can be controlled by gates. The control over the magnetic moment through carrier density manipulation results in optical spin blockade and gate tunable optical properties over a wide range of photon energies.Article Citation - WoS: 8Citation - Scopus: 9Sublattice Engineering and Voltage Control of Magnetism in Triangular Single and Bi-Layer Graphene Quantum Dots(John Wiley and Sons Inc., 2016) Güçlü, Alev Devrim; Potasz, P.; Hawrylak, PawelWhen a Dirac electron is confined to a triangular graphene quantum dot with zigzag edges, its low-energy spectrum collapses to a shell of degenerate states at the Fermi level leading to a magnetized edge. The shell degeneracy and the total magnetization are proportional to the edge size and can be made macroscopic. In this review, we start with a general discussion of magnetic properties of graphene structures and its relation to broken sublattice symmetry. Then, we discuss single electronic properties of single and bilayer triangular graphene quantum dots, focusing on the nature of edge states. Finally, we investigate the role of electronic correlations in determining the nature of ground state and excitation spectra of triangular graphene quantum dots as a function of dot size and filling fraction of the shell of zero-energy states. The interactions are treated by a combination of tight-binding, Hartree-Fock and configuration interaction methods. We show that the spin polarization of the triangular graphene quantum dots can be controlled through gating, i.e., by adding or removing electrons. In bilayer graphene dots, the relative filling of edge states in each layer and the magnetization can be tuned down to single localized spin using an external vertical electrical field.Article Citation - WoS: 58Citation - Scopus: 60Microscopic Theory of the Optical Properties of Colloidal Graphene Quantum Dots(American Physical Society, 2014) Özfidan, Işıl; Korkusinski, Marek; Güçlü, Alev Devrim; Mcguire, John A.; Hawrylak, PawelWe present a microscopic theory of electronic and optical properties of colloidal graphene quantum dots (CGQDs). The single-particle properties are described in the tight-binding model based on the pz carbon orbitals. Electron-electron screened Coulomb direct, exchange, and scattering matrix elements are calculated using Slater pz orbitals. The many-body ground state and excited states are constructed as a linear combination of a finite number of excitations from the Hartree-Fock (HF) ground state (GS) by exact diagonalization techniques. HF ground states corresponding to semiconductor, Mott-insulator, and spin-polarized phases are obtained as a function of the strength of the screened interaction versus the tunneling matrix element. In the semiconducting phase of a triangular CGQD, the top of the valence band and the bottom of the conduction band are found to be degenerate due to rotational symmetry. The singlet and triplet exciton spectra from the HF GS are obtained by solving the Bethe-Salpeter equation. The low-energy exciton spectrum is predicted to consist of two bright-singlet exciton states corresponding to two circular polarizations of light and a lower-energy band of two dark singlets and 12 dark triplets. The robustness of the bright degenerate singlet pair against correlations in the many-body state is demonstrated as well as the breaking of the degeneracy by the lowering of symmetry of the CGQD. The band-gap renormalization, electron-hole attraction, fine structure, oscillator strength, and polarization of the exciton are analyzed as a function of the size, shape, screening, and symmetry of the CGQD. The theoretical results are compared with experimental absorption spectra.