Browsing by Author "Tekman, E."
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Item Open Access Adhesive energy, force and barrier height between simple metal surfaces(1992) Çıracı, Salim; Tekman, E.; Gökçedag, M.; Batra, I. P.; Baratoff, A.Using the self-consistent field pseudopotential method we calculated the adhesive energy, perpendicular and lateral forces and barrier height between two rigid A1(001) slabs modeling the sample and a blunt tip. We found that the adhesive energy and forces are site specific, and can lead to a significant corrugation in the constant force mode with negative force gradient. Lateral forces, which determine friction on the atomic scale are not simply proportional to the perpendicular force, and are typically one order of magnitude smaller. Our results confirm that perpendicular tip force and barrier height are interrelated for separations where the force gradient is positive. © 1992.Item Open Access Atomic theory of scanning tunneling microscopy(American Physical Society, 1989) Tekman, E.; Çıracı, SalimWe present a quantitative analysis of the modifications of the scanning-tunneling-microscopy images due to the local perturbations of the electronic states induced by the tip in close proximity to the sample surface. Using an empirical tight-binding method, we have calculated the electronic states of a prototype tip-sample system consisting of a single-atom tip and the graphite surface, as a function of the tip-sample distance. We find that as the tip approaches the sample, their states start to interact and become laterally confined in the vicinity of the tip at small tip-sample separation. These states influence the tunneling phenomenon by connecting the tip and sample surface electronically. The effect of the tip-induced localized states is discussed, and the expression for the tunneling current is reformulated by incorporating the tip-induced states. Calculations using this expression show that the corrugation amplitude obtained from scanning tunneling microscopy is enhanced and deviates from the proportionality to the local density of states of the bare sample at the Fermi level evaluated at the center of the tip. © 1989 The American Physical Society.Item Open Access Ballistic transport through a quantum point contact: elastic scattering by impurities(American Physical Society, 1990) Tekman, E.; Çıracı, SalimThe effects of elastic scattering due to impurities in a quasi-one-dimensional constriction are investigated with an exact calculation of the conductance. It is found that the quantization of conductance is distorted owing to scattering by a single impurity which exists in an infinite constriction. The extent of deviation from quantized values depends on the strength, position, and lateral range of the scattering potential. The resonance structure due to interference of current-carrying waves is still apparent for a constriction of finite length containing an impurity. However, both the magnitude and position of these oscillations in the resonance structure are affected as a result of elastic scattering. A resonant tunneling effect is found due to a state bound to the attractive impurity potential. © 1990 The American Physical Society.Item Open Access Critical study of perturbative approaches to tunneling(1992) Tekman, E.One of the long-lasting objectives of the theory of tunneling is to express the transmission probability in terms of the wave functions of infinitely separated electrodes. This can be achieved by the application of a perturbative approach to tunneling; in this context the transfer Hamiltonian method has been developed and used. In cases such as scanning tunneling microscopy operating at small tip-sample separation, however, it becomes necessary to go beyond the original transfer Hamiltonian method. In this study we examine the modified forms of the transfer Hamiltonian method using exactly solvable one-dimensional tunneling systems. We find that it is possible to calculate the transmission probability approximately by choosing appropriate boundary conditions for the wave functions used in the transition matrix element expression. However, for low and thin barriers these modified methods still fail to give the correct results. On the other hand, Green's-function techniques which extend the perturbation to all orders yield exact results irrespective of the boundary condition chosen at the interface. © 1992 The American Physical Society.Item Open Access Delta-Doping in strained (Si) / (Ge) superlattices(American Physical Society, 1988) Çıracı, Salim; Batra, I. P.; Tekman, E.We present a comparative study of the pseudomorphic (Si)6/(Ge)6 and -doped (Si)3(Sb)(Si)2/(Ge)6 superlattices using the self-consistent pseudopotential method. The strained (Si)6/(Ge)6 superlattice has the lowest conduction-band states of extended character, and the difference of energy between the direct and indirect band gap is 70 meV. Upon doping by Sb in the Si sublattice, a quasi-two-dimensional band confined to the Sb layer dips into the band gap. Furthermore, the average potential in the Ge sublattice rises relative to that of the Si side, which increases the band offset, and enhances the localization of the quantum well states. These results indicate that doping provides new means for controlling the electronic properties of strained superlattices. © 1988 The American Physical Society.Item Open Access Effects of the constriction geometry on quasi-one-dimensional transport: Adiabatic evolution and resonant tunneling(American Physical Society, 1989) Tekman, E.; Çıracı, SalimThe geometry of a constriction, which plays a crucial role in quasi-one-dimensional (quasi-D) ballistic transport, is investigated by performing calculations of the conductance. If the constriction becomes smoothly narrower inside, the current-carrying states evolve adiabatically leading to quantized conductance without a resonance structure. In contrast, quasi-0D (confined) states can form in a local widening inside the constriction and give rise to resonant tunneling. The effects of an obstacle at the entrance and the roughening along the constriction are also studied. © 1989 The American Physical Society.Item Open Access Fano resonances in quasi-one-dimensional electron waveguides(American Physical Society, 1993) Tekman, E.; Bagwell, P. F.In the spectroscopy of atoms and molecules, an asymmetric Fano resonance arises whenever a bound state associated with one electronic configuration is coupled to the ionization continuum of a different configuration. A strikingly similar resonance appears for electronic transport in conductors with more than one subband, independent of the specific details of the system under study. We develop a two-subband approximation which describes the Fano resonances for conduction through an electron waveguide containing donor impurities, for Γ-X-Γ intervalley tunneling in a GaAsAlxGa1-xAsGaAs heterojunction, and for an electron waveguide coupled to a resonant cavity. Interference between the direct and intersubband transmission channels gives rise to the asymmetric Fano resonance. © 1993 The American Physical Society.Item Open Access Novel features of quantum conduction in a constriction(American Physical Society, 1989) Tekman, E.; Çıracı, SalimThe effects of the geometry and temperature on the quantum conductance for one-dimensional (1D) ballistic transport through a constriction in a 2D electron gas are investigated by use of a refined formalism. As the length of the constriction increases, weak oscillations around the classical conductance evolve into a steplike structure and the resonances on the plateaus become pronounced. Quantization at integer multiples of 2e2/h occurs only for uniform constriction of finite length. At finite temperature of 0.6 K significantly long uniform constriction is necessary to observe plateaus devoid of resonance structure. © 1989 The American Physical Society.Item Open Access Potential oscillations near a barrier in the presence of phase-breaking scattering(1992) Tekman, E.; Çıracı, SalimUsing the Greens function method for nonequilibrium processes, we study the potential oscillations near a barrier in both coherent- and incoherent-transport regimes. In the fully coherent regime the local electrochemical potential oscillates near the barrier, due to interference of the incident and reflected waves. The inclusion of phase-breaking scattering leads to suppression of these oscillations as a result of increasing contribution from the incoherent processes. As one goes away from the barrier, the amplitude of oscillations is found to decay with a decay length equal to the phase-scattering length. © 1992 The American Physical Society.Item Open Access Theoretical study of focused field emission of electrons from a point source(American Physical Society, 1990) Tekman, E.; Çıracı, Salim; Baratoff, A.We clarify basic mechanisms for focused field emission of electrons from a point source. The effective potential barrier arising from the lateral confinement of current carrying states is shown to be essential for subband filtering. A hornlike opening at the emission plane further improves the collimation even if the transport is not adiabatic. We predict novel source- and field-dependent resonance effects which can affect the emission characteristics. © 1990 The American Physical Society.Item Open Access Theoretical study of short-and long-range forces and atom transfer in scanning force microscopy(1992) Çıracı, Salim; Tekman, E.; Baratoff, A.; Batra, I. P.We investigate the interaction energy, the short-range force components, and the electron potential between two Al(001) slabs, which mimic a blunt tip close to an atomically corrugated sample in scanning force microscopy. The adhesive energy and perpendicular force calculated using the self-consistent-field pseudopotential method in the local-density approximation are site dependent, but can be accurately represented by a universal function in terms of scaled variables in the attractive range. The lateral force which determines friction variations on an atomic scale is not simply proportional to the perpendicular force and is typically one order of magnitude smaller. At larger separations the effect of the total long-range Van der Waals force and of its gradient are estimated to be small for a sharp conical support tip, but quite appreciable for a rounded support tip with a radius as small as 200. By calculating the interaction energy of an Al atom between two slabs, we also study the possibility of single-atom transfer between tip and sample, and show that the double well in the interaction energy collapses into a single minimum at a slab separation larger than two bulk interlayer spacings. The atom is preferentially located on the side of the deeper minimum, but can hop between the two wells at finite temperatures. Moreover, the position of the deeper minimum relative to the electrodes can vary as the tip is scanned against the sample. Finally we explore possible relations between the short-range perpendicular force and the tunneling conductance through the potential barrier between two semi-infinite jellium slabs as a function of their separation. © 1992 The American Physical Society.Item Open Access Theoretical study of transport through a quantum point contact(1991) Tekman, E.; Çıracı, SalimWe developed a formalism within the linear-response theory to investigate the transport through a quantum point contact between two electron-gas reservoirs. It is valid for two-terminal conductance through a constriction of a two-dimensional (2D) or 3D potential and has a wide range of applicability covering ballistic as well as tunneling regimes. We studied the quantization of conductance and examined several effects influencing the quantum transmission. Among these effects we found that the simple phase relation results in resonance structures superimposed on the plateaus between two steps of quantized conductance. These resonances are destroyed by the smooth entrance, finite temperature and bias, and variation of the potential. The simulation of adiabatic transmission in constrictions having smoothly varying widths resulted in the conductance with sharp quantum steps without the resonance structure. The quality of quantization is strongly affected by the length of constriction, Fermi-level smearing, the obstacle at the entrance, impurity scattering, nonuniformities of geometry and potential, and in particular by the variation of the longitudinal potential resulting in a sharp saddle-point structure. The quasibound states may occur in a local widening of the width or in a locally lowered potential. These states give rise to a sudden increase of the transmission prior to the opening of a new conduction channel. We present an extensive analysis of this phenomenon and show that it is due to resonant tunneling through these bound states. Owing to enhanced backscattering, the bound states of an attractive impurity in a constriction can yield dips in the conductance at the threshold of channels. In addition to quantized ballistic transport, we extended our method to treat the transport mechanism in scanning tunneling microscopy and in field emission of collimated electrons from an atomic-size source. The issues of current interest in these fields that we treated are (i) the transition from the tunneling to the ballistic regime and the interpretation of conductance oscillations, and (ii) the anomalous corrugation of flat metal surfaces. Our results reveal crucial features of the lateral confinement of the current-transporting states in the constriction of potential between the tip and sample. The effective barriers created from this confinement effect dominate the transmission at small tip-sample distances and influence the apparent barrier height. © 1991 The American Physical Society.Item Open Access Theory of anomalous corrugation of the Al (111) surface obtained from scanning tunneling microscopy(1990) Tekman, E.; Çıracı, SalimWe provide an explanation of the observed anomalous corrugation of the Al(111) surface by calculating the current between the Al(111) sample and tip. An atomically sharp tip images the corrugation of the surface potential, which is enhanced by the tip-induced modifications of the electronic structure. At very small separations the effective barrier due to the lateral confinement of current-carrying states dominates the tunneling, however. This may lead to inversion of the corrugation. © 1990 The American Physical Society.Item Open Access Theory of transition from the tunneling regime to point contact in scanning tunneling microscopy(American Physical Society, 1989) Çıracı, Salim; Tekman, E.We analyze the transition from the tunneling regime to point contact in scanning tunneling microscopy. The variation of conductance as a function of tip-sample separation is sample and tip specific. Tunneling occurs through an effective barrier even if the potential barrier collapses. Subsequent to the collapse of the effective barrier the point contact is initiated leading to ballistic transport. The ballistic conductance through uniformly increasing contact area exhibits neither sharp quantized steps nor pronounced quantum oscillations. The observed oscillations are explained by the irregular enlargement of the contact area. © 1989 The American Physical Society.Item Open Access Tip induced localized states in scanning tunneling microscopy(Institute of Physics Publishing Ltd., 1988) Tekman, E.; Çıracı, SalimWe have investigated the Scanning Tunneling Microscopy (STM) of graphite with varying tip-to-surface distance. Using an LCAO type approach we showed that at small separations states are localized between the tip and the surface. The energies and the characters of these Tip Induced Localized States (TILS) depend on the height and the lateral position of the tip. These states play a significant role in the tunneling process and influence the STM corrugations predicted from the local density of states. We have developed a current expression, which includes these local interactions, but differes significantly from earlier theories.Item Open Access Tip-structure effects on atomic force microscopy images(1991) Tekman, E.; Çıracı, SalimThe authors study the effects of tip structure on images in atomic force microscopy by using a periodic force field fitted to ab-initio force calculations. 'Ideal' images resolving the sample atoms can be obtained with stable and atomically sharp tips in the repulsive range. In the weakly attractive range protrusions may occur at locations different from the atomic positions. Multiatom tips usually yield distorted images in which only the size and the shape of the sample unit cell is conserved. Rotation of a blunt tip or a finite flake lattice-matched to the sample causes stripes to form. Similar patterns can also appear for incommensurate sample-tip (or flake) systems.