Tip and surface determination from experiments and simulations of scanning tunneling microscopy and spectroscopy

We present a very efficient and accurate method to simulate scanning tunneling microscopy images and spectra from first-principles density functional calculations. The wave functions of the tip and sample are calculated separately on the same footing and propagated far from the surface using the vacuum Green function. This allows us to express the Bardeen matrix elements in terms of convolutions and to obtain the tunneling current at all tip positions and bias voltages in a single calculation. The efficiency of the method opens the door to real time determination of both tip and surface composition and structure, by comparing experiments to simulated images for a variety of precomputed tips. Comparison with the experimental topography and spectra of the Si111-(7 x 7) surface shows a much better agreement with Si than with W tips, implying that the metallic tip is terminated by silicon.     

Observation of electronic states on Si(111)-(7 x 7) through short-range attractive force with noncontact atomic force spectroscopy

We experimentally reveal that the short-range attractive force between a Si tip and a Si(111)-(7 x 7) surface is enhanced at specified bias voltages; we conduct force spectroscopy based on noncontact atomic force microscopy with changing bias voltage at a fixed separation. The spectra exhibit prominent peaks and a broad peak, which are attributed to quantum mechanical resonance as the energy levels of sample surface states are tuned to those of the tip states by shifting the Fermi level through changing bias voltage, and to the resonating states over a lowered tunneling barrier, respectively.     

The role of repulsive interactions in molecular bromine adsorption and patterning of Si(100)-2×1

Scanning tunneling microscopy (STM) was used to investigate the role of repulsive interactions in the adsorption and patterning of molecular bromine on the Si(100) surface. At room temperature and low coverage, chemisorption of bromine occurs dissociatively on the same side of adjacent dimers of the same row. Using the STM tip as a probe, we demonstrate the existence of repulsive interactions at adjacent sites on the Si(100)-2×1 surface. These repulsive interactions also contribute to the arrangement of adatoms on the surface. In particular, we report the presence of a stable c(4×2) surface phase that results after exposing the Si(100) surface to bromine under certain conditions. This phase involves adsorption on non-neighboring dimers and is stabilized by repulsive interactions that force bromine adatoms to occupy alternating dimers within rows with an out-of-phase occupancy between adjacent rows.     

Defects of SiC nanowires studied by STM and STS

For the first time the scanning tunneling microscopy (STM) and scanning tunneling spectroscopy (STS) are employed to investigate the morphology and the surface electronic structure of the defective silicon carbide nanowires (SiCNWs). The SiCNWs produced via combustion synthesis route are studied. The STS measurements are performed in the current imaging tunneling spectroscopy mode (CITS) that allows us to determine the correlation between STM topography and the local density of electronic states (LDOS) around the bend of an isolated SiCNW. The measurements reveal fluctuations of LDOS in the vicinity of the defect. The local graphitisation and the inhomogeneous concentration of doping impurities (e.g. nitrogen, oxygen) are considered to explain these fluctuations of metallic-like LDOS in the vicinity of the SiCNW's deformation.     

Distance dependence of noncontact-AFM image contrast on Si(111) × –Ag structure

Atomic resolution imaging of the Si(111) × R30°–Ag surface was investigated using a noncontact atomic force microscopy (NC-AFM) in ultrahigh vacuum. NC-AFM images showed three types of contrasts depending on the distance between an AFM tip and a sample surface. When the tip–sample distance was about 1–3 Å, the images showed the honeycomb arrangement with weak contrast. When the tip–sample distance was about 0–0.5 Å, the images showed the periodic structure composed of three bright spots with relatively strong contrast. On the other hand, the contrasts of images measured at the distance of 0.5–1 Å seemed to be composed of the above-mentioned two types of contrasts. By comparing the site of bright spots in the AFM images with honeycomb-chained trimer (HCT) model, we suggested the following models: when the tip is far from the sample surface, tip–sample interaction force contributing to imaging is dominated by physical bonding interaction such as Coulomb force and/or van der Waals (vdW) force between the tip apex Si atoms and Ag trimer on the sample surface. On the other hand, just before the contact, tip–sample interaction force contributing to imaging is dominated by chemical bonding such as the force due to hybridization between the dangling bond out of the tip apex Si atom and the orbit of Si–Ag covalent bond on the sample surface.     

Bistability of single 1,5 cyclooctadiene molecules on Si(001)

The adsorption and current-induced bistability of single 1,5 cyclooctadiene molecules on Si(001) were studied in ultrahigh vacuum by low-temperature scanning tunneling microscopy (STM). After a dosage of ≈0.05 L at room temperature followed by cooling to the measuring temperature of 7 K, we find that the cyclic alkene molecule preferably adsorbs in the bridge structure with both C=C double bonds reacting with two adjacent Si dimers via [2+2] cycloaddition reaction. The time-dependent current measured upon tunneling through the adsorbed molecule at fixed STM tip height displays a switching between two current levels with the same mean residence time in each level. Higher bias and/or reduced tip height—and therefore higher current—increase the switching rate, suggesting that the reversible switching is due to inelastic electron tunneling. The observed bistability is interpreted as a dynamic interconversion between two degenerate conformations of the adsorbed molecule.     

High-resolution magnetic imaging by local tunneling magnetoresistance

We give an overview over our recent efforts of high-resolution magnetic imaging using scanning tunneling microscopy with a ferromagnetic tip. Magnetic sensitivity is obtained on the basis of local tunneling magnetoresistance between a soft magnetic tip and the sample. The magnetisation of the tip is switched periodically with a small coil, leading to variations of the tunneling current due to the tunneling magnetoresistance effect. These variations are detected with a lock-in amplifier to separate spin-dependent parts from the topographic parts of the tunneling current such that the topography and the magnetic structure of the sample can be recorded simultaneously. Crucial for this method is to avoid mechanical vibrations of the tip, that may also lead to variations in the tunneling current. Exemplary studies of polycrystalline Ni and the closure domain pattern of Co(0001) are presented, showing high contrast at acquisition times as low as 3 ms/pixel and a lateral resolution of the order of 1 nm. Further it is demonstrated that besides topography and magnetisation, also local information about the magnetic susceptibility can be obtained. Received: 28 April 2000 / Accepted: 15 May 2000 / Published online: 7 March 2001     

Atomic resolution in dynamic force microscopy across steps on Si(1 1 1)7×7

In this note we report the first observation of salient features of the Si(1 1 1)7×7 reconstructed surface across monatomic steps by dynamic atomic force microscopy (AFM) in ultrahigh vacuum (UHV). Simultaneous measurements of the resonance frequency shift Δf of the Si-cantilever and of the mean tunneling current ī _i from the cleaned Si tip indicate a restricted range for stable imaging with true atomic resolution. The corresponding characteristics vs. distance reveal why feedback control via Δf is problematic, whereas it is as successful as in conventional STM via ī _i .     

Imaging of Friedel oscillation patterns of two-dimensionally accumulated electrons at epitaxially grown InAs(111) A surfaces

The local density of states (LDOS) at the epitaxially grown InAs surface on a GaAs(111) A substrate were characterized using low-temperature scanning tunneling microscopy. Using dI/dV signal mapping, LDOS standing waves were clearly imaged at point defects and within nanostructures. Measurement of the wavelength as a function of bias voltage showed a nonparabolic dispersion relation for the conduction band. The observed wave features originate from the Friedel oscillations of the two-dimensional electron gas in the semiconductor surface accumulation layer.     

Origin of p(2 x 1) phase on Si(001) by noncontact atomic force microscopy at 5 k

The controversial issue of the origin of the p(2 x 1) reconstruction of the Si(001) surface observed in recent low temperature scanning tunneling microscopy experiments is clarified here using 5 K noncontact atomic force microscopy. The c(4 x 2) phase is observed at separations corresponding to weak tip-surface interactions, confirming that it is the ground state of the surface. At larger frequency shifts the p(2 x 1) phase of symmetric dimers is observed. By studying the interaction of a reactive Si tip with the c(4 x 2) Si(001) surface using an ab initio method, we find that the observed change in the surface reconstruction is an apparent effect caused by tip induced dimer flipping resulting in a modification of the surface structure and appearance of the p(2 x 1) phase in the image. Using an appropriate scanning protocol, one can manipulate the surface reconstruction at will, which has significance in nanotechnology.     

Direct observation of electromigration of Si magic clusters on Si(111) surfaces

Using scanning tunneling microscopy, we have observed electromigration of Si on Si(111)-(7x7) surfaces and have identified the diffusion species to be Si magic clusters. Effects of the directed motion along the direction of the heating current in electromigration and those in thermal migration are determined separately and quantitatively. We also observe the preferential filling of two-dimensional (2D) Si craters and the preferential detachment of Si magic clusters from the edges of 2D Si islands near the cathode side. The driving force for this anisotropic behavior is much stronger than previously recognized.     

Real-space imaging of alternate localization and extension of quasi-two-dimensional electronic States at graphite surfaces in magnetic fields

We measured the local density of states (LDOS) of a quasi-two-dimensional (2D) electron system near point defects on a surface of highly oriented pyrolytic graphite with scanning tunneling microscopy and spectroscopy. Differential tunnel conductance images taken at very low temperatures and in high magnetic fields show a clear contrast between localized and extended spatial distributions of the LDOS at the valley and peak energies of the Landau level spectrum, respectively. The localized electronic state has a single circular distribution around the defects with a radius comparable to the magnetic length. The localized LDOS is in good agreement with a spatial distribution of a calculated wave function for a single electron in 2D in a Coulomb potential in magnetic fields.     

用扫描隧道显微镜针尖操纵金岛

用扫描隧道显微镜，在小隧道阻抗的条件下（小偏压和大隧道电流），通过移动针尖，实现了在室温下对真空蒸镀在高定向石墨上的、由几万个原子组成的纳米尺度金岛的操纵．在大隧道阻抗的情形下，用同一个针尖可对操纵的结果进行观察，而不会对金岛产生扰动．这种可控的操纵是通过当钨针尖与金岛间距离很近时形成的金属间黏附力大于金岛与石墨间的摩擦力而实现的 关键词：     

Sub-Angstrom oscillation amplitude non-contact atomic force microscopy for lateral force gradient measurement

We report the first results from novel sub-Angstrom oscillation amplitude non-contact atomic force microscopy developed for lateral force gradient measurements. Quantitative lateral force gradients between a tungsten tip and Si(1 1 1)-(7 × 7) surface can be measured using this microscope. Simultaneous lateral force gradient and scanning tunnelling microscope images of single and multi atomic steps are obtained. In our measurement, tunnel current is used as feedback. The lateral stiffness contrast has been observed to be 2.5 N/m at single atomic step, in contrast to 13 N/m at multi atomic step on Si(1 1 1) surface. We also carried out a series of lateral stiffness-distance spectroscopy. We observed lateral stiffness-distance curves exhibit sharp increase in the stiffness as the sample is approached towards the surface. We usually observed positive stiffness and sometimes going into slightly negative region.     

Atomic motion induced by a scanning tunneling microscope tip on the Si(111) surface

Using scanning tunneling microscopy (STM), we have observed the STM-tip-induced atomic motion of the Si adatoms in the Si(111)−(7 × 7) surface structure near out-of-phase boundaries in the structure. In order to excite the motion of Si adatoms, the tip was fixed at a certain height at every pixel in the lateral scan and the sample bias was changed stepwise. Although the motion of Si adatoms occurs in a complicated manner, analysis shows that its elemental process is quite simple. Namely, the Si adatom jumps from an occupied T₄ site to an unoccupied T₄ site.     

Negative-differential conductivity measured on a germanium layer on Si(001)

The morphology and the electronic structure of heteroepitaxial germanium layers grown pseudomorphically by solution epitaxy on Si(001) has been investigated by scanning tunneling microscopy (STM) and scanning tunneling spectroscopy (STS). A significant decrease of tunneling current at a sample voltage of 1.5 V is observed in areas of 0.5 nm diameter between dimer rows. This decrease is due to a negative-differential conductivity at a tunnel diode configuration consisting of a surface defect structure of the germanium layer and the STM tungsten tip.     

STM light emission from Si(1 1 1)-(7 × 7) surface using a silver tip

Scanning tunneling microscope-light emission (STM-LE) from the Si(1 1 1)-(7×7) surface has been measured using silver tips. For silver tips photon emission was enhanced by more than 100 times as compared with that for tungsten or platinum–iridium alloy tips. A broad spectrum with a single peak at ∼2.25 eV was observed. The spectrum obtained can be reproduced by a theory based on the macroscopic dielectric response of the tip-sample system, indicating that the observed emission arises from the localized plasmons on the silver tip excited by tunneling electrons. Spatial variations in the emission intensity at the atomic scale was observed even under low bias voltage (2 V) and low tunneling current (1 nA) conditions.     

Structural change of radiation defects in graphite crystals induced by STM probing

It was found that STM (scanning tunneling microscopy) images of defects in highly oriented pyrolytic graphite introduced by bombardment of 400 eV Ar⁺ ions in ultra-high vacuum exhibit substantial changes in the course of STM probing. Detailed examination of abrupt changes in the tunneling current measured at defect sites during voltage scans shows that the primary cause of the defect-image change was found to be neither the injected current nor the injected power but the absolute value of the voltage applied between the probe tip and the sample. We propose that an electric polarization induced force attracting the sample surface toward the probe tip widens the layer spacing of the graphite surface, leading to an acceleration of the lateral diffusion of interstitial atoms introduced by the ion irradiation, which results in a change in the defect structures and the accompanying electronic structures sensible in the STMimaging. Received: 14 June 2001 / Accepted: 7 September 2001 / Published online: 20 December 2001     

Spatial imaging of valence band electronic structures in a GaSb/InAs quantum well

We measure local density of states (LDOS) for GaSb/InAs heterostructures with quantum wells in the valence band by scanning tunneling spectroscopy (STS) on the cleaved surface. Clear standingwave patterns of LDOS corresponding to the holes confined in the quantum wells are observed.     

STM study of SiC crystallite growth on vicinal Si(111) surfaces

The initial stage of epitaxial growth of cubic β-SiC on vicinal Si(111) misoriented towards the [112̄] direction is studied by scanning tunneling microscopy in ultra-high vacuum. The clean Si(111) surface contains terraces separated by groups of atomic steps. The separation between the atomic steps within a group is observed to be approximately equal to the length of the long axis of the Si(111)7 × 7 unit cell. We postulate that the SiC forms three-sided pyramids with surfaces of (110) orientation. The pyramids are located mostly at the step edges and are sharper than the end of the tip. This results in a series of identically shaped tip images located at the step edges, which display the structure of the tip.