Domain wall structure of Si(111) (√3 × √3)R30°-Au

A characteristic feature of the Si(111) (√3 × √3)R30°-Au surface is an intrinsically high density of domain walls. Combining the complementary strengths of scanning tunneling microscopy and X-ray standing waves it was possible to resolve the atomic structure of the domain walls and the Si(111) (√3 × √3)R30°-Au domains. A detailed structural model for the domain walls is presented and compared to the experimental results. The model involves the coexistence of two kinds of Au trimers with different registries and a separation of 0.5 Å normal to the (111) planes.     

Hydrogen chemisorption on Si(111)√ 3×√ 3R30∘-B passivated surface studied by thermal desorption and scanning tunneling microscopy

Atomic H chemisorption on the Si(111)√ 3×√ 3R30^°-B surface has been studied by thermal desorption spectroscopy (TDS) and scanning tunneling microscopy (STM). The B-modified Si surface is known to be inert towards adsorbates, since the surface dangling bonds of Si adatoms are passivated by B atoms sitting in sub-surface sites. However, it was found that even on a perfectly passivated surface, H is adsorbed on the surface by destroying the original √ 3 × √ 3 structure. STM observations revealed that H exposure led to the creation of defects at surface sites, and H was subsequently adsorbed as Si-monohydride at these sites. H exposure also caused cluster island formation at the top surface. The islands are composed of hydrogenated amorphous Si atoms or B-hydrogen complexes.     

Effect of NH3 adsorption on the atomic structure of Si(111) √3 × √3 - Al and Si(111) √3 × √3 - Ag surfaces

The room temperature (RT) adsorption of ammonia (NH₃) on Si(111)√3 × √3-Al and Si(111)√3 × √3-Ag surfaces has been studied using LEED and AES. The transformation from Si(111)√3 × √3-Al surface structure to Si(111)1 × 1-(Al, H) upon NH₃ exposure has been found to be similar to the previously observed structural transformation induced by exposure in the atomic hydrogen. It has been demonstrated that the transformation is caused by hydrogen atoms which are generated by NH₃ dissociation on the Si(111)√3 × √3-Al surface. It has been estimated that about 0.1 ML of ammonia molecules is needed to complete the structural transformation. No interaction of NH₃ with the Si(111)√3 × √3-Ag surface has been found. The dissociation of NH₃ molecules is believed to be impossible on this surface     

Experimental observation of pseudogap in a modulation-doped Mott insulator: Sn/Si(111)-(√30×√30)R30°

Unusual quantum phenomena usually emerge upon doping Mott insulators. Using a molecular beam epitaxy system integrated with cryogenic scanning tunneling microscope, we investigate the electronic structure of a modulation-doped Mott insulator Sn/Si(111)-($\sqrt{3}\times \sqrt{3})R$30$^\circ$. In underdoped regions, we observe a universal pseudogap opening around the Fermi level, which changes little with the applied magnetic field and the occurrence of Sn vacancies. The pseudogap gets smeared out at elevated temperatures and alters in size with the spatial confinement of the Mott insulating phase. Our findings, along with the previously observed superconductivity at a higher doping level, are highly reminiscent of the electronic phase diagram in the doped copper oxide compounds.     

Strong localization across the metal-insulator transition at the Ag/Si(111)-(√3 × √3)R30° interface

We present the temperature dependent electrical transport measurements of Ag/Si(111)-(√3 × √3)R30° by the in situ micro-four-point probe method integrated with scanning tunneling microscopy. The surface structure characterizations show hexagonal patterns at room temperature, which supports the inequivalent triangle (IET) model. A metal-insulator transition occurs at ～115 K.The lowtemperature transportmeasurements clearly reveal the strong localization characteristics of the insulating phase.     

Electronic structure study of ultrathin Ag(111) films modified by a Si(111) substrate and √3 × √3-Ag2Bi surface

Angle-resolved photoemission spectroscopy experiments show that the electronic structure of a Ag(111) film grown on Si(111) is markedly perturbed by the formation of a √3 × √3-Ag(2)Bi Rashba-type surface alloy. Four spin-split surface states, with different band dispersions and energy contours, intercept and hybridize selectively with the sp-derived quantum well states of the Ag layer. Detailed two-dimensional band mapping of the system was carried out and constant energy contours at different energies result in hexagonal-, star- and flower-like distortions of the quantum well states as a result of various interactions. Further wavy-like modulations of the electronic structure of the film are found to originate from umklapp reflections of the Ag film states according to the surface periodicity.     

Structure determination of Pb/Ge(111)-β-(√3 × √3)R30° by dynamical low-energy electron diffraction analysis and first-principles calculation

We have determined the atomic structure of the Pb/Ge(111)-β-(√3 × √3)R30° surface, which was shown to exhibit a large Rashba spin splitting in a metallic surface state by dynamical low-energy electron diffraction analysis. The Pb coverage for the optimized atomic structure is 4/3 with one Pb atom located at every third H(3) site of the bulk-truncated Ge(111) surface and the other three near the T(1) sites but slightly displaced towards the T(4) sites. The determined atomic structure agrees well with the energetically optimized one obtained from the first-principles calculation. The calculation also revealed that the potential for the Pb atoms on the H(3) sites is very soft along the surface normal, suggesting that their vertical position is distributed within a range of about 0.2-0.3 ?. The previously proposed phase transition associated with the surface melting is discussed.     

Growth of Atomically Flat Ultra-Thin Ag Films on Si（111） by Introducing a √3×√3-Ga Buffer Layer

Growth of high-quality ultra-thin Ag film is of great interest from both scientific and technological viewpoints. First, ultra-thin metal fihns are model systems utilized to investigate quantum size effects （QSE）. When the film thickness is comparable to the Fermi wavelength of an electron, quantized energy lev- els known as quantum well states are produced in the surface normal direction. High-quality metal films with uniform thickness can effectively suppress in- homogeneous broadening of the thickness-dependent quantum levels to manifest quantum size effects. Secondly, Ag is the most widely used material for sur- face plasmonic devices, and high-quality Ag films have already shown the capability of supporting surface plasmon propagation fbr an extremely long distance. Moreover, ultra-thin Ag films can act as an excel- lent substrate for integrating various nano and low- dimensional structures. For instance, silicene, which is a two-dimensional （2D） sheet composed of silicon similar to graphene, has recently attracted intense attention. Ag （111） surface is widely recognized as the most important substrate suitable for the growth of silicene, while Ag films are much more cost-effective candidates for expensive single crystal Ag（111） sub- strates.     

6H-SiC(0001)-6√3×6√3R30°重构表面的同步辐射角分辨光电子能谱研究

利用同步辐射角分辨光电子能谱(SRARPES)对6H-SiC(0001)-6√3×63√R30°重构表面的电子结构和表面态进行了研究.通过鉴别价带谱中来自于体态的信息,可以推断出重构表面的费米能级位于体态价带顶之上(2.1±0.1)eV处.实验测出的体能带结构与理论计算的结果较为符合.在重构表面上发现三个表面态,分别位于结合能-0.48 eV(S0),-1.62 eV(S1)和-4.93 eV(S2处.沿着表面布里渊区的高对称线ΓKM方向,测量了相关表面态的能带色散,只有表面态S0(-0.48 eV)表现出了所希望的6√3×6√3 R30°重构周期性.根据实验现象,可以认为,表面态S0应归结于重构表面的C-C悬键,而表面态S1则由重构表面未钝化的C悬键所导致.     

Neutralization of low energy helium ions scattered from Au adatoms on Si(111)-√3 × √3-Au

The neutralization of 5 keV He⁺ ions scattered from Au adatoms on the Si(111)-√3 × √3-Au surface was studied by impact-collision ion-scattering spectroscopy (ICISS). The He⁺ ICISS data contained false shadowing features that were actually the result of local neutralization effects. The radially dependent ion-atom neutralization theory of Woodruff, when used in our simulations of the ion scattering results, was reasonably successful in describing the neutralization of the He⁺ ions by the Au atoms. Good agreement for both the [112̄] and [1̄10] azimuths was obtained for a neutralization rate R = A exp(− ar), where A and a are 15.5 fs⁻¹ and 1.94 Å⁻¹ , respectively. An Auger neutralization model assuming a planar ion-solid interaction surface was also tested, yielding much poorer agreement.     

The structure of methylthiolate and ethylthiolate monolayers on Au(111): Absence of the (√3 × √3)R30° phase

Surface structures of self-assembled methylthiolate and ethylthiolate monolayers on Au(111) have been imaged with STM. For saturation coverage of 0.33 ML at room temperature, the well-known (√3 × √3)R30° phase routinely observed for longer chain alkanethiolates does not appear under any conditions for adsorbed methylthiolate and ethylthiolate. Instead, both thiolate species organize themselves into a well-ordered 3 × 4 structure. We thus conclude that the stable structure for saturation coverage of methylthiolate/ethylthiolate on Au(111) at RT is 3 × 4, not (√3 × √3)R30° as generally believed. For coverage less than 0.33 ML, a striped-phase with short-range order is observed for methylthiolate. Fourier transform of the STM image from the striped-phase produces a clear (√3 × √3)R30° “diffraction” pattern. This strongly indicates that the (√3 × √3)R30° diffraction pattern for methylthiolate monolayers reported in literature is likely from the striped-phase, rather than from a true (√3 × √3)R30° lattice in real space. Consequently, theoretical modeling that reproduces the (√3 × √3)R30° structure for methylthiolate monolayers should be re-examined.     

First-principles Study of Geometric and Electronic Structures of Si(111)-√7×√3-In Surface Reconstruction

为了确定Si(111)-√7×√3-In表面的结构以及理解其电子性质,构建了六角型和矩形型的六种模型,并进行了第一性原理计算．通过模拟这些模型的扫描隧道显微镜图像,计算了功函数,并和实验结果进行了比较．发现hex-H3'模型和rect-T1模型分别为实验中的六角型和矩形型结构．同时还讨论了In覆盖度在1.0单层附近时In/Si(111)表面结构的演化机制．认为4×1相和√7×√3相具有两种不同的演化机制,和实验结果一致     

A Cu(1 1 1)(√3×√3)R30°-Sb structure by impact collision ion-scattering spectroscopy

We have investigated the structures of Cu(1 1 1)(√3×√3)R30°-Sb using time of flight-impact collision ion-scattering spectroscopy. The experimental data and computer simulations support a structural model for the Cu(1 1 1)(√3×√3)R30°-Sb structure in which Sb atoms displace up to 1/3 of the first layer of Cu atoms and incorporate them into the first Cu layer with the Sb atoms displaced outward 0.40 Å with respect to the first-layer Cu atoms. The outermost first layer of Sb and Cu atoms shift from fcc- to hcp-hollow sites (only the top layer of Sb and Cu atoms occupies hcp hollow sites).     

Supramolecular self-assembly on the B-Si(111)-(√3x√3) R30° surface: From single molecules to multicomponent networks

Understanding the physical and chemical processes in which local interactions lead to ordered structures is of particular relevance to the realization of supramolecular architectures on surfaces. While spectacular patterns have been demonstrated on metal surfaces, there have been fewer studies of the spontaneous organization of supramolecular networks on semiconductor surfaces, where the formation of covalent bonds between organics and adatoms usually hamper the diffusion of molecules and their subsequent interactions with each other. However, the saturation of the dangling bonds at a semiconductor surface is known to make them inert and offers a unique way for the engineering of molecular patterns on these surfaces. This review describes the physicochemical properties of the passivated B-Si(111)-(√3x√3) R30° surface, that enable the self-assembly of molecules into a rich variety of extended and regular structures on silicon. Particular attention is given to computational methods based on multi-scale simulations that allow to rationalize the relative contribution of the dispersion forces involved in the self-assembled networks observed with scanning tunneling microscopy. A summary of state of the art studies, where a fine tuning of the molecular network topology has been achieved, sheds light on new frontiers for exploiting the construction of supramolecular structures on semiconductor surfaces.     

STM study of Si(111)1 × 1-H surfaces prepared by in situ hydrogen exposure

We have used scanning tunneling microscopy and low-energy electron diffraction to study the preparation of hydrogen-terminated Si(111)1 × 1 surfaces by in situ atomic-hydrogen exposure of Si(111)7 × 7 surfaces. We find that exposure at sample temperatures of 350–480°C with a hydrogen dose above 1000 L results in the complete transformation of the 7 × 7 structure to the H-terminated 1 × 1 structure. The highest quality Si(111)1 × 1-H surfaces are obtained for doses of 5000 L hydrogen at a temperature around 380°C. These surfaces have less than 5% of a monolayer stacking faults, approximately 1% point-like defects, and less than 0.5% of contamination. For larger hydrogen doses the amount of stacking faults is further reduced, but the surfaces become rough due to the formation of holes in the first bulk double layer. A discussion of the temperature dependence of the removal of the stacking faults is presented as well as a discussion on the origin of the most frequently occurring point-like defects.     

Atomic structure of two-dimensional binary surface alloys: Si(111)-√21 × √21 superstructure

The atomic structures of Au and Ag co-adsorption-induced √21 × √21 superstructure on a Si(111) surface, i.e., (Si(111)-√21 × √21-(Au, Ag)), where the Si(111)-5 × 2-Au surface is used as a substrate, have been investigated using reflection high-energy positron diffraction (RHEPD) and photoemission spectroscopy. From core-level spectra, we determined the chemical environments of Ag and Au atoms present in the Si(111)-√21 × √21-(Au, Ag) surface. From the rocking curve and pattern analyses of RHEPD, we found that the atomic coordinates of the Au and Ag atoms were approximately the same as those of the Au and Ag atoms in other Si(111)-√21 × √21 surfaces with different stoichiometries. On the basis of the core-level and RHEPD results, we revealed the atomic structure of the Si(111)-√21 × √21-(Au, Ag) surface.     

Vacancy creation on the Si(111)−7 × 7 surface due to sulfur desorption studied by scanning tunneling microscopy

Ultra high vacuum scanning tunneling microscopy (STM) has been used to study the adsorption and subsequent thermal desorption of a sulfur overlayer deposited in situ, at room temperature, on the Si(111)-7 × 7 surface. Little ordering is visible in the STM images of this overlayer 1–2 monolayers thick, with the underlying silicon surface retaining the (7 × 7) reconstruction with weakened low energy electron diffraction (LEED) spot intensity. STM images of this surface following a thermal anneal at 375°C revealed the presence of a number of monolayer deep “holes” or voids in the (7 × 7) surface. The appearance of these voids is consistent with a coalescence of vacancy defects induced by the sulfur desorption process as also observed for oxygen induced etching of the silicon surface. In addition, we have observed small regions of the (√3 × √3)R30° and c(4 × 2) reconstructions within areas exhibiting a high degree of surface disorder, with the metastable (5 × 5) reconstruction also being found. Both reconstructions and disorder are attributed to vacancy diffusion to step edges causing a redistribution of surface silicon atoms.