Mapping the first electronic resonances of a Cu phthalocyanine STM tunnel junction

Using a low temperature, ultrahigh vacuum scanning tunneling microscope (STM), dI/dV differential conductance maps were recorded at the tunneling resonance energies for a single Cu phthalocyanine molecule adsorbed on an Au(111) surface. We demonstrated that, contrary to the common assumption, such maps are not representative of the molecular orbital spatial expansion, but rather result from their complex superposition captured by the STM tip apex with a superposition weight which generally does not correspond to the native weight used in the standard Slater determinant basis set. Changes in the molecule conformation on the Au(111) surface further obscure the identification between dI/dV conductance maps and the native molecular orbital electronic probability distribution in space.     

Wave-function mapping of InAs quantum dots by scanning tunneling spectroscopy

Scanning tunneling spectroscopy is used to investigate the single-electron states and the corresponding squared wave functions of single and freestanding strain-induced InAs quantum dots grown on GaAs(001). Several peaks are found in dI/dV curves, which belong to different single-electron states. Spatially resolved dI/dV images reveal (000), (100), (010), (200), and (300) states, where the numbers describe the number of nodes in [11;0], [110], and [001] directions, respectively. The total number and energetic sequence of states is different for different dots. Interestingly, the (010) state is often missing, even when (200) and (300) states are present. We interpret this anisotropy in electronic structure as a consequence of the shape asymmetry of the dots.     

扫描隧道显微术中的微分谱学及其应用

文章介绍了扫描隧道显微术中微分谱学的原理及其在实验中的诸多应用。微分谱（dI／dV谱）和dI／dV成像可用来研究电子局域态密度在能量和空间的分布，即微分谱固定空间一点，反映电子态密度以能量为变量的分布；而dI／dV图像则反映某给定能量的电子局域态密度以空间为变量的分布，二次微分谱（d^2I／dV^2谱）和二次微分成像可以用来反映分子的非弹性隧穿过程，从而研究分子的振动态。     

铜箔上生长的六角氮化硼薄膜的扫描隧道显微镜研究

利用扫描隧道显微镜研究了采用化学气相沉积法在铜箔表面生长出的高质量的六角氮化硼薄膜. 大范围的扫描隧道显微镜图像显示出该薄膜具有原子级平整的表面, 而扫描隧道谱则显示, 扫描隧道显微镜图像反映出的是该薄膜样品的隧穿势垒空间分布. 极低偏压的扫描隧道显微镜图像呈现了氮化硼薄膜表面的六角蜂窝周期性原子排列, 而高偏压的扫描隧道显微镜图像则呈现出无序和有序排列区域共存的电子调制图案. 该调制图案并非源于氮化硼薄膜和铜箔衬底的面内晶格失配, 而极有可能来源于两者界面处的氢、硼和/或氮原子在铜箔表面的吸附所导致的隧穿势垒的局域空间分布.     

Spatial fluctuations of the density of states in magnetic fields observed with scanning tunneling spectroscopy

Scanning tunneling spectroscopy images on n-InAs(110) exhibit a strong magnetic field dependent contrast on the 50 nm length scale, indicating fluctuations in the density of states of the sample. The contrast is correlated to previously observed Landau oscillations in dI/dV curves. Its origin is a spatial fluctuation of the Landau level energy of 3-4 meV caused by the inhomogeneous distribution of dopant atoms. Besides inducing large-scale fluctuations in the density of states, dopants preserve their ability to scatter electron waves. The resulting wave pattern is found to depend on the magnetic field. It is suggested that the dependence is guided by the condensation of the electronic states on Landau tubes.     

单层硅烯表面的CoPc分子吸附研究

由于低维材料表面上的单原子和分子具有丰富的物理化学性质,现已经成为量子器件及催化科学等领域的研究热点.单层硅烯在不同的衬底制备温度下,表现出丰富的超结构,这些超结构为实现有序的单原子或分子吸附提供了可靠的模板.利用原位硅烯薄膜制备,分子沉积,超高真空扫描隧道显微镜以及扫描隧道谱,本文研究了Ag(111)衬底上3种硅烯超结构((4×4),(■×■),(2■×2■))的电子态结构,表面功函数随超结构的变化,以及CoPc分子在这3种超结构硅烯上的吸附行为.研究结果表明,这3种超结构的硅烯具有类似的电子能带结构,且存在电子从Ag(111)衬底转移到硅烯上的可能性,从而导致硅烯的表面功函数增大,表面功函数在原子级尺度上的变化对分子的选择性吸附起着重要作用.此外,还观察到分子与硅烯的相互作用导致CoPc分子的电子结构发生对称性破缺.     

Interference and Interaction in multi-wall carbon nanotubes

We report equilibrium electric resistance R and tunneling spectroscopy (dI/dV)measurements obtained on single multi-wall nanotubes contacted by four metallic Au fingers from above. At low temperature quantum interference phenomena dominate the magnetoresistance. The phase-coherence (l_φ)and elastic-scattering lengths (l_e)are deduced. Because l_e is of order of the circumference of the nanotubes, transport is quasi-ballistic. This result is supported by a dI/dV spectrum which is in good agreement with the density of states (DOS) due to the one-dimensional subbands expected for a perfect single-wall tube. As a function of temperature T the resistance increases on decreasing T and saturates at ≈1–10 Kfor all measured nanotubes. R(T) cannot be related to the energy-dependent DOS of graphene but is mainly caused by interaction and interference effects. On a relatively small voltage scale of the order ≈10 meV, a pseudogap is observed in dI/dV which agrees with Luttinger-liquid theories for nanotubes. Because we have used quantum diffusion based on Fermi-liquid as well as Luttinger-liquid theory in trying to understand our results, a large fraction of this paper is devoted to a careful discussion of all our results. Received: 17 May 1999 / Accepted: 18 May 1999 / Published online: 4 August 1999     

Observation of spin-polarized surface states on ultrathin bct Mn(001) films by spin-polarized scanning tunneling spectroscopy

We report the observation of a magnetic contrast of up to 20% in the scanning tunneling spectroscopy dI/dV maps obtained with Fe-coated tips on Mn(001) layers grown on an Fe(001) whisker at 370 K. These nanometer resolution microscopy results show that the layers couple antiferromagnetically. By normalizing the dI/dV curves by tunneling probability functions, we found a spin-dependent peak on the body-centered-tetragonal (bct) Mn(001) surface at +0.8 V, whose high spin polarization gives rise to the dI/dV map contrast. Band structure calculations allow one to identify the +0.8 V peak as due to two spin-polarized d(z(2)) surface states.     

Local electronic structure and Fano interference in tunneling into a Kondo hole system

Motivated by the recent success of local electron tunneling into heavy-fermion materials, we study the local electronic structure around a single Kondo hole in an Anderson lattice model and the Fano interference pattern relevant to STM experiments. Within the Gutzwiller method, we find that an intragap bound state exists in the heavy Fermi liquid regime. The energy position of the intragap bound state is dependent on the on-site potential scattering strength in the conduction and f-orbital channels. Within the same method, we derive a new dI/dV formulation, which includes explicitly the renormalization effect due to the f-electron correlation. It is found that the Fano interference gives asymmetric coherent peaks separated by the hybridization gap. The intragap peak structure has a lorenzian shape, and the corresponding dI/dV intensity depends on the energy location of the bound state.     

Confined Shockley surface states on the (111) facets of gold clusters

Combining low-temperature scanning tunneling microscopy and spectroscopy with high-resolution ultraviolet photoemission, we have revealed a confined Shockley surface state on the (111) facets of gold clusters with about N=10(4) atoms grown in nanopits on highly oriented graphite. With tunneling spectroscopy, we observed energy dependent nodal patterns in the dI/dV maps, which are in quantitative agreement with the two-dimensional confinement of the surface state within the hexagonal facet area. The results indicate that the lattice of the ionic cores influences the electronic properties of the clusters significantly.     

Engineering electronic lifetimes in artificial atomic structures

By means of atomic manipulation, 51 Ag atoms have been precisely positioned to form a triangle with a base length of 245 A on a Ag(111) substrate. The scattering of the surface electrons at these adatoms results in a complex interference pattern. Spectroscopic data and dI/dV maps taken inside the triangle have been quantitatively evaluated by multiple scattering calculations of the wave pattern. Adjustment of the scattering parameters to the data yields the properties of the scatterers and the electron lifetimes. The experimental results for the electron lifetimes deviate from a (E-E(F))(-2) dependence and reflect the electronic band structure at the surface as well as the local influence of the triangle.     

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.     

Density of states of amorphous GdxSi1-x at the metal-insulator transition

We have determined the electronic density of states of amorphous Gd xSi (1-x), N(GdSi)(E), in the vicinity of the metal-insulator transition by measuring the tunneling conductance dI/dV across a Gd xSi (1-x)/oxide/Pb tunnel junction at low T (T approximately 100 mK). By applying a magnetic field we can tune through the metal-insulator transition and simultaneously measure the transport and N(E) on a single sample. We find a smooth transition from a metal with strong Coulomb interactions to a developing Coulomb gap in the insulating regime. In the metallic region N(GdSi)(0) scales approximately with sigma(2).     

Tailoring electronic properties of atomic chains assembled by STM

Atomic chains were assembled from single Au and Pd atoms on a NiAl(110) surface, using the tip of a scanning tunneling microscope. The electronic properties of the chains were investigated by spatially resolved conductance spectroscopy and microscopy, revealing the development of a one-dimensional, free-electron-like band. Onset energy, effective electron mass, and spatial localization of the band were influenced by structural and chemical modifications of the chains. The experiments demonstrate the effects of interatomic spacing and elemental composition of the chains, as well as the roll of local impurities and adsorption on the properties of the one-dimensional electronic system. PACS 68.37.Ef; 73.21.Fg; 73.22.-f; 68.43.-h     

碳原子线的电子传输特性

单分子电子器件的电子传输特性是当前分子电子学领域研究的热点.本文采用第一原理的ab inito法与格林函数方法,对Au电极-碳原子线-Au电极体系的电子结构以及电子传输等特性进行了分析,给出了C5、C10与C15原子线的电导 -电压曲线与伏安曲线.研究结果表明:碳原子线与Au电极之间的"接触"(结合)既有共价键的成分,又有离子键的成分;碳原子线的电导率及伏安特性具有特殊的量子效应和尺寸效应.     

Vibrationally induced two-level systems in single-molecule junctions

Single-molecule junctions are found to show anomalous spikes in dI/dV spectra. The position in energy of the spikes is related to local vibration mode energies. A model of vibrationally induced two-level systems reproduces the data very well. This mechanism is expected to be quite general for single-molecule junctions. It acts as an intrinsic amplification mechanism for local vibration mode features and may be exploited as a new spectroscopic tool.     

Surface scattering via bulk continuum states in the 3D topological insulator Bi2Se3

We have performed scanning tunneling microscopy and differential tunneling conductance (dI/dV) mapping for the surface of the three-dimensional topological insulator Bi(2)Se(3). The fast Fourier transformation applied to the dI/dV image shows an electron interference pattern near Dirac node despite the general belief that the backscattering is well suppressed in the bulk energy gap region. The comparison of the present experimental result with theoretical surface and bulk band structures shows that the electron interference occurs through the scattering between the surface states near the Dirac node and the bulk continuum states.     

Excitations in charge-transfer atom scattering

The electronic excitations are calculated for a tight-binding model of 25–1000 eV Na atoms scattering off W, assuming a classical trajectory for the Na atoms which interact with a single half-filled band on the substrate. The excitation spectrum consists of substrate electron-hole pairs at low energies, with a jump at the ionization threshold due to electron transfer from the Na to the W. If the Na ionization level crosses the Fermi energy beyond the range of hopping between the Na and the W substrate, the ionization probability is high. As the Na kinetic energy is reduced the ionization probability decreases, but the substrate electron-hole excitations increase in importance, and this is discussed in semi-classical terms.     

Even-odd effect in Andreev transport through a carbon nanotube quantum dot

We have measured the current (I)-voltage (V) characteristics of a single-wall carbon nanotube quantum dot coupled to superconducting source and drain contacts in the intermediate coupling regime. Whereas the enhanced differential conductance dI/dV due to the Kondo resonance is observed in the normal state, this feature around zero-bias voltage is absent in the superconducting state. Nonetheless, a pronounced even-odd effect appears at finite bias in the dI/dV subgap structure caused by Andreev reflection. The first-order Andreev peak appearing around V=Delta/e is markedly enhanced in gate-voltage regions, in which the charge state of the quantum dot is odd. This enhancement is explained by a "hidden" Kondo resonance, pinned to one contact only. A comparison with a single-impurity Anderson model, which is solved numerically in a slave-boson mean-field approach, yields good agreement with the experiment.     

Quantum-well states in bilayers of Ag and Au on W(1 1 0)

sp-Like quantum-well states (QWS) in thin monocrystalline bilayer films of Ag and Au on W(1 1 0) and of single Ag films were studied by angle-resolved photoemission. We find that the propagation of the electronic states in the bilayer films along [1 1 1] depends on the energy relative to the band edge of Au metal at the L point of the Brillouin zone. In particular, QWS with binding energies less than this band-edge energy (1.1 eV) are strongly confined to the Ag layer, while for higher binding energies the QWS extend across the whole bilayer film. This clearly demonstrates the weakness of the potential barrier at the Ag/Au interface in the context of QWS formation at energies where electronic states exist in both metals.