Atomically resolved local variation of the barrier height of the flip-flop motion of single buckled dimers of Si(100)

The dynamics of the flip-flop motion of single buckled dimers of Si(100) was elucidated by locating the tip of a scanning tunneling microscope over a single flip-flopping dimer and measuring the tunneling current (time trace). Based on a statistical analysis of the time trace, we succeeded in estimating the activation energy and the energy splitting between the two stable configurations of buckling. Strong dependence of the dynamics of the flip-flop motion on the local environment was found: Activation energy differs significantly (directly measured 32 meV, estimated approximately 110 meV) for dimers in different domains.     

Electronic properties of (2 x 1) and c(4 x 2) domains on Ge(001) studied by scanning tunneling spectroscopy

The surface electronic structure of Ge(001) was studied by scanning tunneling spectroscopy. The measured surface densities of states unequivocally reveal the presence of a metallic state on the (2 x 1) domains, which is absent on the c(4 x 2) domains. This metallic state, so far observed only in integral measurements, is attributed to the flip-flopping dimers that constitute the (2 x 1) domains. Our data also reveal a set of previously unresolved surface states, in perfect agreement with published theoretical predictions.     

Phase Manipulation between c(4 x 2) and p(2 x 2) on the Si(100) surface at 4.2 K

Phase manipulation between c(4x2) and p(2x2) on the Si(100) surface has been demonstrated at 4.2 K for the first time using a low-temperature scanning tunneling microscope. We have discovered that it is possible to change the c(4x2) surface into the p(2x2) surface, artificially, through a flip-flop motion of the buckling dimers by using a sample bias voltage control. Also, scanning at a negative bias voltage or applying a pulse voltage can restore the c(4x2) surface. The STM images as a function of bias voltage and tunneling current reveal the interesting dynamics of the buckling dimers on the long debated surface. Our results will show that energetic tunneling electrons are most likely responsible for the observed phase transition from c(4x2) to p(2x2).     

Channel selective scanning tunneling spectroscopy

In this paper we simulate STM and STS experiments for CO monomers and dimers on Cu(1 1 1) surface. We show that the contrast of STM images can be attributed to interference effects between tunneling channels, and suggest that functionalizing the microscope tip improves the channel selectivity of STM. Furthermore, we show that voltage and position dependent tunneling spectra also reflect the same interference effects, but adds the energy resolution to the channel analysis. Especially in the case of nonresonant tunneling, STS measures local density of states only indirectly. The present study suggests that STS in constant height mode can be used in investigating the phase and energy sensitivity of tunneling channels in adsorbate molecules and nanostructures.     

One-dimensional diffusion of vacancies on Sr/Si(100)-c(2×4) surface

An Sr/Si(100)-c(2×4) surface is investigated by high-resolution scanning tunneling microscopy (STM) and scanning tunneling spectroscopy (STS). The semiconductor property of this surface is confirmed by STS. The STM images of this surface shows that it is bias-voltage dependent and an atomic resolution image can be obtained at an empty state under a bias voltage of 1.5 V. Furthermore, one-dimensional (1D) diffusion of vacancies can be found in the room-temperature STM images. Sr vacancies diffuse along the valley channels, which are constructed by silicon dimers in the surface. Weak interaction between Sr and silicon dimers, low metal coverage, surface vacancy, and energy of thermal fluctuation at room temperature all contribute to this 1D diffusion.     

Hopping motion of chlorine atoms on Si(1 0 0)-(2 × 1) surfaces induced by carrier injection from scanning tunneling microscope tips

Injection of tunneling electrons and holes from the probe tips of a scanning tunneling microscope was found to enhance the hopping motion of Cl atoms between neighboring dangling-bond sites of Si dimers on Si(1 0 0)-(2 × 1) surfaces, featured by the rate of hopping linearly dependent on the injection current. The hopping rate formed peaks at sample biases of V_S∼+1.25 and −0.85 V, which agree with the peaks in the local density of states spectrum measured by scanning tunneling spectroscopy. The Cl hopping was enhanced at Cl-adsorbed sites even remote from the injection point. The Cl hopping by hole injection was more efficiently enhanced by sweeping the tip along the Si dimer row than by tip-sweeping along the perpendicular direction. Such anisotropy, on the other hand, was insignificant in the electron injection case. All of these findings can be interpreted by the model that the holes injected primarily into a surface band originated from the dangling bonds of Si dimers propagate quite anisotropically along the surface, and become localized at Cl sites somehow to destabilize the Si-Cl bonds causing hopping of the Cl atoms. The electrons injected into a bulk band propagate in an isotropic manner and then get resonantly trapped at Si-Cl antibonding orbitals, resulting in bond destabilization and hopping of the Cl atoms.     

Diffusional kinetics of SiGe dimers on Si(100) using atom-tracking scanning tunneling microscopy

Quantitative measurements of the diffusion of adsorbed mixed Ge-Si dimers on the Si(100) surface have been made as a function of temperature using atom-tracking scanning tunneling microscopy. These mixed dimers are distinguishable from pure Si-Si dimers by their characteristic kinetics-a 180 degrees rotation between two highly buckled configurations. At temperatures at which the mixed dimers diffuse, atomic-exchange events occur, in which the Ge atom in the adsorbed dimer exchanges with a substrate Si atom. Reexchange can also occur when the diffusing Si-Si dimer revisits the original site of exchange.     

Diffusion driven concerted motion of surface atoms: Ge on Ge(001)

The diffusion of Ge dimers on the Ge(001) surface has been studied with scanning tunneling microscopy. We have identified three different diffusion pathways for the dimers: diffusion of on-top dimers over the substrate rows, diffusion across the substrate rows, and diffusion of dimers in the trough. We report on a heretofore unknown phenomenon, namely, diffusion driven concerted motion of substrate atoms. This concerted motion is a direct consequence of the rearrangement of substrate atoms in the proximity of the trough dimer adsorption site.     

Direct imaging of Cu dimer formation, motion, and interaction with Cu atoms on Ag(111)

We have investigated the formation and motion of copper adatoms and addimers on Ag(111) between 6 and 25 K with low-temperature scanning tunneling microscopy. The presence of atoms and dimers alters the motion of atoms and dimers via the long-range interaction mediated by the electrons in the two-dimensional surface state band. Above 16 K, dimers show quantum rotor behavior with altered rotational behavior in the presence of an additional adatom. The most favorable diffusional motion of the dimer is identified in combination with molecular dynamics calculations to be a zigzag out-of-cell motion starting above 24 K.     

Surface Reconstruction of Pt/Si(001)

Platinum-induced surface reconstructions on Si(001) were investigated by scanning tunneling microscopy. The Si(001) surface shows c(4×6)+c(4×2)-type reconstruction after Pt hot deposition at 750 °C. The c(4×2) reconstruction is formed by regular arrangement of Pt ad-atoms at the hollow sites between two Si dimers on Si(001). The c(4×6) structure is formed by long-range ordering of Si dimers superimposed on the c(4×2) reconstruction. The surface reconstruction changes with the local Pt coverage and missing dimer density. An atomic model for c(4×6)+c(4×2) is proposed based on the observed c(4×4) surface reconstruction, a new surface reconstruction, which is observed following a high-temperature anneal at 900 °C. The c(4×4) surface reconstruction is regular and ordered in both the dimer-row direction and the direction perpendicular to the dimer rows. The reconstruction is formed by the regular arrangement of Si dimers and Pt ad-atoms sitting on top of the hollow sites surrounded by two dimers. An atomic model for this new reconstruction is proposed. PACS 68.35.Bs; 68.37.Ef; 68.43.Fg     

STM investigations of local potential barrier dist ribution of the atomic surface of graphite

To modulate the tunneling gap with the lock-in amplifier in the scanning tunneling microscopy(STM), information of the tunneling current variation can be obtained. The local potential barrier distribution of graphite surface atoms is got by means of such technology. Compared with STM image under topography observation mode, the local potential barrier image has higher resolu tion and less influence on the tip and better anti-interference capability. Obs erved results of the graphite are given and discussed in this paper.     

Theoretical study of the structural properties of SiC(001)—Si-terminated surface and the formation of its STM images

We present theoretical study of structural and electronic properties of SiC(001)-p(2 × 1)-Si-terminated surface and the formation of its STM images. Ab initio calculations independently performed with the use of plane-wave and local-orbital basis have shown that the structure of this surface is built up by long symmetric silicon dimers, which agrees with the results of previous ab initio studies done by other authors. STM simulations show that the variation of the tunneling current along substrate surface very well reproduces the localization properties of occupied and unoccupied surface states (π, π*). We have found that the tensile stress applied along dimers axis causes the buckling of surface dimers and transfer of the charge between dimers atoms. This result suggests that the buckling of silicon surface dimers observed in LEED measurements might be caused by external stress. Presented at the X-th Symposium on Suface Physics, Prague, Czech Republic, July 11–15, 2005.     

Electron emission noise

Traced back to the early discoveries by Schottky and Johnson, a review will be given on the present state of electron emission noise phenomena and related fluctuations. Special emphasis is laid upon adsorbate induced noise under UHV conditions which can be investigated, at least in principle, down to single adparticle fluctuations. On the other hand, with increasing submonolayer coverage, adparticle interactions can play an important role which might even lead to collective phenomena. Different noise sources and models to describe them will be discussed. The examples for illustration are mainly taken from field emission investigations and will cover shot noise, prediffusion adparticle flip-flop, Brownian motion or concentration fluctuations in a patch, tunneling diffusion, trap and surface state governed emission noise and indications of phase transitions and soliton or domain wall movements. Some relations to current noise in solid state devices and to other noise sources and their characteristics will be mentioned.     

Theoretical studies on the near field properties of non-concentric core-shell nanoparticle dimers

The concentric core-shell nanoparticle dimers have “hot spots” with enhanced electric fields in their junctions, which can be used in the surface enhanced Raman spectra analysis. Here the non-concentric core-shell nanoparticle dimers are proposed by introducing a shift between the dielectric core and the metal shell. By using the three dimensional finite difference time domain method, the plasmon resonances and the near field properties of the core-shell nanoparticle dimers affected by the non-concentric shift, dimer separation, excitation wavelength and polarization are analyzed in detail. The results show that the local near fields of the non-concentric core-shell nanoparticle dimers can be much more enhanced than those of the concentric ones. Also the plasmon resonance wavelengths of the dimers can be effectively tuned by the non-concentric shifts between the core and shell. The proposed nanostructures can have great potential in various near field applications.     

用扫描隧道显微镜测量局域功函数

用扫描隧道显微镜在Cu（111）-Au和Pt（111）-Ag表面上对局域功函数进行了测量．在扫描的同时通过测量隧道电流对针尖样品间距离变化的响应，可以在得到扫描隧道显微镜（STM）图的同时得到功函数图．用这种方法，成功地观察到Au，Ag覆盖层与Cu，Pt衬底间的功函数的差别．结果表明：Au覆盖层的功函数介于Cu（111）和Au（111）的功函数之间，这与其它方法的结果一致．在Pt（111）-Ag表面观察到了局域功函数随覆盖层厚度的变化．本工作表明：扫描隧道显微镜在研究功函数与表面结构的关系方面是十分有用的；用测量局域功函数的方法还可以区分表面不同种的物质 关键词：     

Site determination and thermally assisted tunneling in homogenous nucleation

A combined low-temperature scanning tunneling microscopy and density functional theory study on the binding and diffusion of copper monomers, dimers, and trimers adsorbed on Cu(111) is presented. Whereas atoms in trimers are found in fcc sites only, monomers as well as atoms in dimers can occupy the fcc as well as the metastable hcp site. In fact the dimer fcc-hcp configuration is only 1.3 meV less favorable with respect to the fcc-fcc configuration. This enables a confined intracell dimer motion, which at temperatures below 5 K is dominated by thermally assisted tunneling.     

钴原子及其团簇在Rh(111)和Pd(111)表面的扫描隧道显微学研究

利用扫描隧道显微镜和扫描隧道谱(STM/STS)及单原子操纵,系统研究了单个钴原子(Co) 及其团簇在Rh (111)和Pd (111)两种表面的吸附和自旋电子输运性质. 发现单个Co原子在Rh (111)上有两种不同的稳定吸附位,分别对应于hcp和fcc空位, 他们的高度明显不同,在针尖的操纵下单个Co原子可以在两种吸附位之间相互转化. 在这两种吸附位的单个Co原子的STS谱的费米面附近都存在很显著的峰形结构, 经分析认为Rh (111)表面单个Co原子处于混价区,因此这一峰结构是d轨道共振 和近藤共振共同作用的结果.对于Rh (111)表面上的Co原子二聚体和三聚体, 其费米面附近没有观测到显著的峰,这可能是由于原子间磁交换相互作用 和原子间轨道杂化引起的体系态密度改变所共同导致.与Rh (111)表面不同, 在Pd (111)表面吸附的单个Co原子则表现出均一的高度.并且对于Pd (111)表面所有 单个Co原子及其二聚体和三聚体,在其STS谱的费米面附近均未探测到显著的电子结构, 表明Co原子吸附于Pd (111)表面具有与Rh (111)表面上不同的原子-衬底相互作用与自旋电子输运性质.     

Au(111)表面吸附单个八乙基钴卟啉分子的电子态和输运性质调控

通过低温超高真空扫描隧道显微镜及其谱学方法研究并展示了分子配体在调控表面吸附的单个八乙基钴卟啉(CoOEP)分子的电子态和输运性质中的重要作用. 通过单分子剪裁可以脱去该分子外围的甲基, 并在中心钴原子的微分电导谱中观察测到d轨道共振到近藤共振的演变. 实验结果结合第一性原理的理论计算研究表明, 在脱去甲基前后中心钴原子的化学环境和磁矩均未发生显著变化, 这一演变可以通过一个简化模型来阐释并被归结为脱去甲基后分子配体与衬底成键改变了体系隧穿参数所导致. 此外, 实验结果表明CoOEP分子配体的输运性质可受到分子间距离和范德华相互作用的显著调控. 在CoOEP低聚体中位于分子之间的乙基被抬高, 同时在其微分电导谱谱中0–0.8 V区域内新出现一个强的共振峰. 这一新的共振峰表现出等间距的多峰细节, 其峰间距与卟啉环和乙基之间的C–C键伸缩模式能量符合. 这一新共振峰的出现被归结为由于分子局部与衬底耦合减弱形成双结隧穿体系所导致的振子态隧穿峰.     

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.     

Direct observation of hydrogen-bond exchange within a single water dimer

The dynamics of water dimers was investigated at the single-molecule level by using a scanning tunneling microscope. The two molecules in a water dimer, bound on a Cu(110) surface at 6 K, were observed to exchange their roles as hydrogen-bond donor and acceptor via hydrogen-bond rearrangement. The interchange rate is approximately 60 times higher for (H2O)2 than for (D2O)2, suggesting that quantum tunneling is involved in the process. The interchange rate is enhanced upon excitation of the intermolecular mode that correlates with the reaction coordinate.