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: 4Citation - Scopus: 3Quantum Monte Carlo Study of Semiconductor Artificial Graphene Nanostructures(AMER PHYSICAL SOC, 2023) Öztarhan, Gökhan; Güçlü, Alev Devrim; Kul, E. Bulut; Okçu, Emre; Guclu, A. D.Semiconductor artificial graphene nanostructures where the Hubbard model parameter U/t can be of the order of 100, provide a highly controllable platform to study strongly correlated quantum many-particle phases. We use accurate variational and diffusion Monte Carlo methods to demonstrate a transition from antiferromagnetic to metallic phases for an experimentally accessible lattice constant a = 50 nm in terms of lattice site radius rho, for finite-sized artificial honeycomb structures nanopatterned on GaAs quantum wells containing up to 114 electrons. By analyzing spin-spin correlation functions for hexagonal flakes with armchair edges and triangular flakes with zigzag edges, we show that edge type, geometry, and charge nonuniformity affect the steepness and the crossover rho value of the phase transition. For triangular structures, the metal-insulator transition is accompanied with a smoother edge polarization transition.Article Citation - WoS: 4Citation - Scopus: 4Atomic Collapse in Graphene Quantum Dots in a Magnetic Field(Elsevier, 2022) Eren, İsmail; Güçlü, Alev DevrimWe investigate finite size and external magnetic field effects on the atomic collapse due to a Coulomb impurity placed at the center of a hexagonal graphene quantum dot within tight binding and mean-field Hubbard approaches. For large quantum dots, the atomic collapse effect persists when the magnetic field is present, characterized by a series of Landau level crossings and anticrossings, in agreement with previous bulk graphene results. However, we show that a new regime arises if the size of the quantum dot is comparable to or smaller than the magnetic length: While the lowest bound states cross the Fermi level at a lower value of coupling constant β<0.5, a size independent critical coupling constant βc∗>0.5 emerges in the local density of states spectrum, which increases with the applied magnetic field. These effects are found to be persistent in the presence of electron–electron interactions within mean-field Hubbard approximation.Article Citation - WoS: 3Citation - Scopus: 3Atomic Collapse in Disordered Graphene Quantum Dots(American Physical Society, 2020) Polat, Mustafa; Güçlü, Alev DevrimIn this paper, we numerically study a Coulomb impurity problem for interacting Dirac fermions restricted in disordered graphene quantum dots. In the presence of randomly distributed lattice defects and spatial potential fluctuations, the response of the critical coupling constant for atomic collapse is mainly investigated by local density of states calculations within the extended mean-field Hubbard model. We find that both types of disorder cause an amplification of the critical threshold. As a result, up to a 34% increase in the critical coupling constant is reported. This numerical result may explain why the Coulomb impurities remain subcritical in experiments, even if they are supercritical in theory. Our results also point to the possibility that atomic collapse can be observed in defect-rich samples such as Ar+ ion bombarded, He+ ion irradiated, and hydrogenated graphene.Article Citation - WoS: 5Citation - Scopus: 5Collapse of the Vacuum in Hexagonal Graphene Quantum Dots: a Comparative Study Between Tight-Binding and Mean-Field Hubbard Models(American Physical Society, 2020) Polat, Mustafa; Sevinçli, Haldun; Güçlü, Alev DevrimIn this paper, we perform a systematic study on the electronic, magnetic, and transport properties of the hexagonal graphene quantum dots (GQDs) with armchair edges in the presence of a charged impurity using two different configurations: (1) a central Coulomb potential and (2) a positively charged carbon vacancy. The tight-binding and the half-filled extended Hubbard models are numerically solved and compared with each other in order to reveal the effect of electron interactions and system sizes. Numerical results point out that off-site Coulomb repulsion leads to an increase in the critical coupling constant to beta(c) = 0.6 for a central Coulomb potential. This critical value of beta is found to be independent of the GQD size, reflecting its universality even in the presence of electron-electron interactions. In addition, a sudden downshift in the transmission peaks shows a clear signature of the transition from subcritical beta < beta(c) to the supercritical beta > beta(c) regime. On the other hand, for a positively charged vacancy, collapse of the lowest bound state occurs at beta(c) = 0.7 for the interacting case. Interestingly, the local magnetic moment, induced by a bare carbon vacancy, is totally quenched when the vacancy is subcritically charged, whereas the valley splittings in electron and hole channels continue to exist in both regimes.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: 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.