Physics / Fizik
Permanent URI for this collectionhttps://hdl.handle.net/11147/6
Browse
123 results
Filters
Settings
Search Results
Article Citation - WoS: 15Citation - Scopus: 15Ag and Au Atoms Intercalated in Bilayer Heterostructures of Transition Metal Dichalcogenides and Graphene(American Institute of Physics, 2014) İyikanat, Fadıl; Şahin, Hasan; Senger, Ramazan Tuğrul; Peeters, François M.The diffusive motion of metal nanoparticles Au and Ag on monolayer and between bilayer heterostructures of transition metal dichalcogenides and graphene are investigated in the framework of density functional theory. We found that the minimum energy barriers for diffusion and the possibility of cluster formation depend strongly on both the type of nanoparticle and the type of monolayers and bilayers. Moreover, the tendency to form clusters of Ag and Au can be tuned by creating various bilayers. Tunability of the diffusion characteristics of adatoms in van der Waals heterostructures holds promise for controllable growth of nanostructures. (C) 2014 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution 3.0 Unported License.Article Citation - WoS: 36Citation - Scopus: 37Microwave Control of Rydberg Atom Interactions(Iop Publishing Ltd, 2014) Sevinçli, Sevilay; Pohl, T.We investigate the interaction between Rydberg atoms, whose electronic states are dressed by multiple microwave fields. Numerical calculations are used for an exact description of the microwave induced interactions, and employed to benchmark a perturbative treatment that yields simple insights into the involved mechanisms. Based on this theory, we demonstrate that microwave dressing provides a powerful approach to control dipolar as well as van der Waals interactions and even permits us to turn them off entirely. In addition, the proposed scheme also opens up possibilities for engineering dominant three-body interactions.Article Citation - WoS: 32Citation - Scopus: 34The Cms Barrel Calorimeter Response To Particle Beams From 2 To 350 Gev/C(Springer Verlag, 2009) CMS HCAL/ECAL Collaborations; Sönmez, NasufThe response of the CMS barrel calorimeter (electromagnetic plus hadronic) to hadrons, electrons and muons over a wide momentum range from 2 to 350 GeV/c has been measured. To our knowledge, this is the widest range of momenta in which any calorimeter system has been studied. These tests, carried out at the H2 beam-line at CERN, provide a wealth of information, especially at low energies. The analysis of the differences in calorimeter response to charged pions, kaons, protons and antiprotons and a detailed discussion of the underlying phenomena are presented. We also show techniques that apply corrections to the signals from the considerably different electromagnetic (EB) and hadronic (HB) barrel calorimeters in reconstructing the energies of hadrons. Above 5 GeV/c, these corrections improve the energy resolution of the combined system where the stochastic term equals 84.7 ± 1.6% and the constant term is 7.4 ± 0.8%. The corrected mean response remains constant within 1.3% rms. © Springer-Verlag / Società Italiana di Fisica 2009.Article Citation - WoS: 5Citation - Scopus: 5Enhanced Indirect Exchange Interactions in the Presence of Circular Potentials in Graphene(American Physical Society, 2019) Canbolat, Ahmet Utku; Çakır, ÖzgürWe calculate indirect exchange interaction between two magnetic impurities in pristine graphene in the presence of a circular potential. In bulk graphene structures indirect exchange interaction, also known as RKKY (Ruderman-Kittel-Kasuya-Yosida) interaction, shows a power-law decay with distance for both doped and undoped cases. Here we show that under a circular electric potential quasibound states lead to enhanced RKKY interactions between magnetic moments located in the vicinity of the potential well. It is shown that the strength of the potential well and Fermi energy can be tuned to create enhanced, nondecaying, long ranged RKKY interactions. We show that when the Fermi level lies at the quasibound state energy, the scattering processes between the states of the same chirality dominate over the other scattering channels and this leads to a predominantly ferromagnetic, nondecaying interaction between the impurities at long distances. The predicted effect can enable electrical control of RKKY interactions in graphene or other two-dimensional materials.Article Citation - WoS: 85Citation - Scopus: 91Ballistic Thermoelectric Properties of Monolayer Semiconducting Transition Metal Dichalcogenides and Oxides(American Physical Society, 2019) Özbal, Gözde; Senger, Ramazan Tuğrul; Sevik, Cem; Sevinçli, HaldunCombining first-principles calculations with Landauer-Mittiker formalism, ballistic thermoelectric transport properties of semiconducting two-dimensional transition metal dichalcogenides (TMDs) and oxides (TMOs) (namely MX2 with M = Cr, Mo, W, Ti, Zr, Hf; X = O, S, Se, Te) are investigated in their 2H and 1T phases. Having computed structural, as well as ballistic electronic and phononic transport properties for all structures, we report the thermoelectric properties of the semiconducting ones. We find that 2H phases of four of the studied structures have very promising thermoelectric properties, unlike their 1T phases. The maximum room temperature p-type thermoelectric figure of merit (ZT) of 1.57 is obtained for 2H-HfSe2, which can be as high as 3.30 at T = 800 K. Additionally, 2H-ZrSe2, 2H-ZrTe2, and 2H-HfS2 have considerable ZT values (both nand p-type), that are above 1 at room temperature. The 1T phases of Zr and Hf-based oxides possess relatively high power factors, however their high lattice thermal conductance values limit their ZT values to below 1 at room temperature.Article Citation - WoS: 24Citation - Scopus: 24Defect Tolerant and Dimension Dependent Ferromagnetism in Mnse2(Royal Society of Chemistry, 2019) Eren, İsmail; İyikanat, Fadıl; Şahin, HasanBy performing density functional theory-based calculations, we investigate the structural, vibrational, electronic and magnetic properties of 2D monolayers, nanoribbons and quantum dots of MnSe2. Vibrational spectrum analysis reveals the dynamical stability of not only ferromagnetic but also antiferromagnetic phases of single layer MnSe2 crystal structures. Electronically, calculations show that 1T-MnSe2 is a ferromagnetic structure displaying metallic behavior. It is also found that the structure preserves its dynamical stability and metallic behavior even under the presence of high density Se vacancies. Moreover, it was predicted that, differing from the 2D MnSe2, metal-metal interaction driven reconstructions result in ferromagnetic-to-antiferromagnetic crossover in the ground state of nanoribbons and quantum dots. With its robust ferromagnetic metallic character in the 2D ultra-thin limit and dimension-dependent magnetic properties, MnSe2 is an important candidate for spintronic device applications.Article Citation - WoS: 30Citation - Scopus: 29Stacking-Dependent Excitonic Properties of Bilayer Blue Phosphorene(American Physical Society, 2019) İyikanat, Fadıl; Torun, Engin; Senger, Ramazan Tuğrul; Şahin, HasanAb initio calculations in the framework of many-body perturbation theory (MBPT) are performed to calculate the electronic and optical properties of monolayer and bilayer blue phosphorene with different stacking configurations. It is found that the stacking configuration of bilayer blue phosphorene strongly affects the electronic band gap of the material. By solving the Bethe-Salpeter equation (BSE) on top of the G(0)W(0) calculation, the binding energies, spectral positions, and band decomposition of excitons of monolayer and bilayer configurations are investigated. The most prominent two excitonic peaks of bilayers are examined in detail. Our calculations show that different stacking configurations lead to distinct interlayer interaction characteristics which lead to substantial change in the optical spectrum of bilayer blue phosphorene. Mostly intralayer and mixed interlayer excitons with quite high binding energies are obtained in bilayer blue phosphorene. Our results show that excitonic properties of ultrathin materials play an important role in tuning and improving the optoelectronic performance of two-dimensional materials.Article Citation - WoS: 3Citation - Scopus: 3Hydrogenated Derivatives of Hexacoordinated Metallic Cu2si Monolayer(Royal Society of Chemistry, 2018) Ünsal, Elif; İyikanat, Fadıl; Şahin, Hasan; Senger, Ramazan TuğrulHerein, we carried out first-principles calculations based on density functional theory to investigate the effects of surface functionalization with hydrogen atoms on structural, dynamical and electronic properties of Cu2Si monolayer. Pristine Cu2Si, a metallic monolayer, has a planar hexacoordinate structure. Calculations revealed that the most favorable position of a single H atom on the Cu2Si monolayer is at the top of a Si site. Derivatives of Cu2Si monolayer with various H concentrations were investigated, and by performing phonon calculations, it was found that there are three stable hydrogenated structures. Specific heat of these monolayers was found to increase with the hydrogen concentration at temperatures higher than 100 K. Electronically, the hydrogenated derivatives of Cu2Si monolayer preserve the metallic character.Article Citation - WoS: 89Citation - Scopus: 85Cspbbr3 Perovskites: Theoretical and Experimental Investigation on Water-Assisted Transition From Nanowire Formation To Degradation(American Physical Society, 2018) Akbalı, Barış; Topçu, Gökhan; Güner, Tuğrul; Özcan, Mehmet; Demir, Mustafa Muammer; Şahin, HasanRecent advances in colloidal synthesis methods have led to an increased research focus on halide perovskites. Due to the highly ionic crystal structure of perovskite materials, a stability issue pops up, especially against polar solvents such as water. In this study, we investigate water-driven structural evolution of CsPbBr3 by performing experiments and state-of-the-art first-principles calculations. It is seen that while an optical image shows the gradual degradation of the yellowish CsPbBr3 structure under daylight, UV illumination reveals that the degradation of crystals takes place in two steps: transition from a blue-emitting to green-emitting structure and and then a transition from a green-emitting phase to complete degradation. We found that as-synthesized CsPbBr3 nanowires (NWs) emit blue light under a 254 nm UV source. Before the degradation, first, CsPbBr3 NWs undergo a water-driven structural transition to form large bundles. It is also seen that formation of such bundles provides longer-term environmental stability. In addition theoretical calculations revealed the strength of the interaction of water molecules with ligands and surfaces of CsPbBr3 and provide an atomistic-level explanation to a transition from ligand-covered NWs to bundle formation. Further interaction of green-light-emitting bundles with water causes complete degradation of CsPbBr3 and the photoluminescence signal is entirely quenched. Moreover, Raman and x-ray-diffraction measurements revealed that completely degraded regions are decomposed to PbBr2 and CsBr precursors. We believe that the findings of this study may provide further insight into the degradation mechanism of CsPbBr3 perovskite by water.Article Citation - WoS: 1Citation - Scopus: 1Directed Growth of Hydrogen Lines on Graphene: High-Throughput Simulations Powered by Evolutionary Algorithm(American Physical Society, 2018) Özbal, Gözde; Falkenberg, J. T.; Brandbyge, M.; Senger, Ramazan Tuğrul; Sevinçli, HaldunWe set up an evolutionary algorithm combined with density functional tight-binding calculations to investigate hydrogen adsorption on flat graphene and graphene monolayers curved over substrate steps. During the evolution, candidates for the new generations are created by adsorption of an additional hydrogen atom to the stable configurations of the previous generation, where a mutation mechanism is also incorporated. Afterwards a two-stage selection procedure is employed. Selected candidates act as the parents of the next generation. The evolutionary algorithm predicts formation of lines of hydrogen atoms on flat graphene. In curved graphene, the evolution follows a similar path except for a new mechanism, which aligns hydrogen atoms on the line of minimum curvature. The mechanism is due to the increased chemical reactivity of graphene along the minimum radius of curvature line (MRCL) and to sp(3) bond angles being commensurate with the kinked geometry of hydrogenated graphene at the substrate edge. As a result, the reaction barrier is reduced considerably along the MRCL and hydrogenation continues like a mechanical chain reaction. This growth mechanism enables lines of hydrogen atoms along the MRCL, which has the potential to overcome substrate or rippling effects and could make it possible to define edges or nanoribbons without actually cutting the material.