Large-Area Self-Assembly of Rubrene on Au（111） Surface

Large-area self-assembly of rubrene has been fabricated on Au（111） surface and studied by scanning tunnelling microscopy. The rubrene monolayer on A u（111） surface is characterized by well-ordered row-like structures similar to the a-b plane of rubrene single crystal. However, the directions of the neighboured molecular rows are opposite to each other. In a two-layer film of rubrene on Au（111） surface, the arrangements of the top molecular rows are determined by the underneath rows, suggesting an orthorhombic crystal structure with a = 1.26 nm, b = 4.36 nm, c = 0.17nm for multilayer ofrubrene on Au（111）.     

Scanning tunneling microscopy study of molecular growth structures of Gd@C82 on Cu（111）

The coverage and temperature-dependent nucleation behaviors of the Gd@C82 metallofullerenes on Cu(111) have been studied by low-temperature scanning tunneling microscopy (LT-STM) in detail. Upon molecular deposition at low temperature, Gd@C82 molecules preferentially decorate the steps and nucleate into single layer islands with increasing coverage. Further annealing treatment leads some of the Gd@C82 molecules to assemble into bright and dim patches, which are correlated to the adsorption induced substrate reconstruction. Upon sufficient thermal activation, Gd@C82 molecules sink into the Cu(111) surface one-copper-layer-deep, forming hexagonal close-packed molecular islands with intra-molecular details observed as striped patterns. By considering the commensurability between the Gd@C82 nearest-neighbor distance and the lattice of the underlying Cu(111), we clearly identified two kinds of in-plane molecular arrangements as (19(1/2)×19(1/2))R23.4°and (19(1/2)×19(1/2))R36.6°with respect to Cu(111). Within the assembled Gd@C82 molecular, island molecules with dim-bright contrast are spatially distributed, which may be modulated by the preexisted species on Cu(111).     

Self-Assembly of TBrPP-Co Molecules on an Ag/Si（111） Surface Studied by Scanning Tunneling Microscopy

Self-assembly of TBrPP-Co molecules on a Si（111）-√3t×√3 Ag substrate is studied by low-temperature scanning tunneling microscopy. With the same adsorbed amount （0.07 ML）, the molecules deposited by low-temperature evaporation show three kinds of ordered structures whereas those deposited by high-temperature evaporation have size-dependent ordered structures. The distinct differences in the self-assembly structures and in the electron density of states inside the molecule near the Fermi energy demonstrate that the Br atoms of the molecule desorb at the higher evaporation temperature.     

Atomic-Scale Study of Ge-Induced Incommensurate Phases on Si（111）

Two Ge-induced incommensurate phases, γ and β, on Si（111） are observed and studied by {／it in situ} scanning tunneling microscopy. The γ phase consists of aligned triangular domains whose stacking sequence is faulted with respect to the Si（111）-1×1 surface. The β phase consists of two kinds of triangular domains whose stacking sequences are faulted and unfaulted with respect to the Si（111）-1×1 surface, respectively. In the β phase, two types of domain walls, zigzag＇＇ and face-to-face＇＇, form to release the strain. The triangular domains all exhibit a quasi-1×1 hexagonal close-packed structure. By studying the structural evolution from magic clusters to incommensurate structures, the structure models for γ and β phases are proposed.     

Growth of Mn5Ge3 ultrathin film on Ge（111）

The growth of Mn5Ge3 ultrathin films with different thicknesses, prepared by solid phase epitaxy, is studied. The results of scanning tunnelling microscopy and low energy electron diffraction studies show that the film can be formed and it is terminated with a （√3 × √3） R30° surface reconstruction when the thickness of Mn exceeds 3 monolayers. The magnetic properties show that the Curie temperature is about 300 K and the T^2-dependent behaviour is observed to remain up to 220 K.     

STM study of In nanostructures formation on Ge（001） surface at different coverages and temperatures

Different In/Ge（001） nanostructures have been obtained by annealing the samples at 320℃ with different coverages of In. Annealing a sample with a critical coverage of 2.1 monolayer of In, different In/Ge（001） nanostructures can be obtained at different temperatures. It is found that thermal annealing treatments first make In atoms form elongated Ge{103}-faceted In-clusters, which will grow wider and longer with increasing temperature, and finally cover the surface completely.     

Structure and Magnetic Properties of （In,Mn）As Based Core-Shell Nanowires Grown on Si（111） by Molecular-Beam Epitaxy

We report the structure and magnetic properties of （In,Mn）As based core-shell nanowires grown on Si （111） by molecular-beam epitaxy. Compared to the core InAs nanowire with a flat side facet and consistent diameter, the core-shell nanowire shows a rough sidewall and an inverse tapered geometry. X-ray diffraction, transmission electron microscopy and energy-dispersive x-ray spectroscopy show that （In,Mn）As is formed on the side facets of In As nanowires with a mixture ofwurtzite and zinc-blende structures. Two ferromagnetic transition temperatures of （In,Mn）As from magnetic measurement data are observed： one is less than 25 K, which could be attributed to the magnetic phase with diluted Mn atoms in the InAs matrix, and the other is at ～300 K, which may originate from the undetectable secondary phases such as MnAs nanoclusters. The synthesis of （In,Mn）As based core-shell nanowires provides valuable information to exploit a new type of spintronic nano-materials.     

Strain-Driven Formation of Nanostripes on In/Si（113） Surface

Periodic nanostripe arrays are observed on In/Si（113） surface using scanning tunneling microscopy. The stripe superstructures are identified as N × 1 reconstructions elongating in [211] or [121] direction and consisting of one vacancy line, one Si adatom row, and N - 2 In rows, in which N = 5 is predominant. The vacancy line formation relieves the strain induced by the Si adatom row and In rows, and plays an important role in stabilizing the stripe structures. The stability of nanostripe structures is demonstrated by analyzing the strain-mediated interaction of vacancy lines in the framework of the Frenkel-Kontorova model, which indicates that the predominant vacancy line period of N = 5 corresponds to the minimum Frenkel Kontorova energy.     

Ripening of single-layer InGaAs islands on GaAs（001）

The present paper discusses our investigation of InGaAs surface morphology annealed for different lengths of time.After annealing for 15 min,the ripening of InGaAs islands is completed.The real space scanning tunneling microscopy(STM) images show the evolution of InGaAs surface morphology.A half-terrace diffusion theoretical model based on thermodynamic theory is proposed to estimate the annealing time for obtaining flat morphology.The annealing time calculated by the proposed theory is in agreement with the experimental results.     

A density functional theory study on the adsorption of CO and O2 on Cu-terminated Cu2O （111） surface

The adsorptions of CO and 02 molecules individually on the stoichiometric Cu-terminatcd Cu20 （111） surface are investigated by first-principles calculations on the basis of the density functional theory. The calculated results indicate that the CO molecule preferably coordinates to the Cu2 site through its C atom with an adsorption energy of-1.69 eV, whereas the 02 molecule is most stably adsorbed in a tilt type with one O atom coordinating to the Cu2 site and the other O atom coordinating to the Cul site, and has an adsorption energy of -1.97 eV. From the analysis of density of states, it is observed that Cu 3d transfers electrons to 2π orbital of the CO molecule and the highest occupied 5σ orbital of the CO molecule transfers electrons to the substrate. The sharp band of Cu 4s is delocalized when compared to that before the CO molecule adsorption, and overlaps substantially with bands of the adsorbed CO molecule. There is a broadening of the 2π orbital of the 02 molecule because of its overlapping with the Cu 3d orbital, indicating that strong 3d-2π interactions are involved in the chemisorption of the 02 molecule on the surface.     

Ag(111)和Au(111)上铋的初始生长行为

半金属铋(Bi)的表面合金具有的Rashba效应,和其具体结构性质有重要关联.本文结合扫描隧道显微镜(STM)和密度泛函理论(DFT),系统地研究了Bi原子在Ag(111)和Au(111)上的不同初始生长行为.在室温Ag(111)上,连续的Ag2Bi合金薄膜会优先在Ag台阶边缘形成;在570 K Ag(111)上,随着...     

锰的硅化物薄膜在Si(100)-2×1表面生长的STM研究

锰的硅化物在微电子器件、自旋电子学器件等领域具有良好的应用前景, 了解锰的硅化物薄膜在硅表面的生长规律是其走向实际应用的关键步骤之一. 本文采用分子束外延方法在Si(100)-2× 1表面沉积了约4个原子层的锰薄膜, 并利用超高真空扫描隧道显微镜研究了该薄膜与硅衬底之间在250-750℃范围内的固相反应情况. 室温下沉积在硅衬底表面的锰原子与衬底不发生反应, 薄膜由无序的锰团簇构成; 当退火温度高于290℃时, 锰原子与衬底开始发生反应, 生成外形不规则的枝晶状锰硅化物和富锰的三维小岛; 325℃时, 衬底上开始形成平板状的MnSi小岛; 525℃时, 枝晶状锰硅化物完全消失, 出现平板状的MnSi_1.7大岛; 高于600℃时, 富锰的三维小岛和平板状的MnSi小岛全部消失, 仅剩下平板状的MnSi_1.7大岛. 这些结果说明退火温度决定了薄膜的形态和结构. 在大约600℃退火时岛的尺寸随着退火时间的延长而逐渐增大, 表明岛的生长遵从扩散限制的Ostwald熟化机理.     

Au(111)表面单个钴酞菁分子的去氢过程

利用低温超高真空扫描隧道显微镜对单个钴酞菁分子实现了选键化学反应.通过对吸附于Au(111)表面的单个钴酞菁分子外围H原子的"剪裁",并用实验图像和谱学方法,结合第一性原理理论计算研究了逐步去除钴酞菁分子8个外围H原子的过程.理论计算结果再现了实验中所观测到的分子空间构型的变化,并阐明了吸附体系中局域自旋的恢复和变化过程.     

NBN-doped nanographene embedded with five-and seven-membered rings on Au(111) surface

Nanographenes(NGs) can be embedded with predesigned dopants or nonhexagonal rings to tailor the electronic properties and provide ideal platforms to study the unique physical and chemical properties. Here, we report the onsurface synthesis of NBN-doped NG embedded with five-and seven-membered rings(NBN-575-NG) on Au(111) from a oligophenylene precursor preinstalled with a NBN unit and a heptagonal ring. Scanning tunneling microscopy and noncontact atomic force microscopy images elucidate the intramolecular cyclodehydrogenation and the existence of the fiveand seven-membered rings. Scanning tunneling spectroscopy spectra reveal that the NBN-575-NG is a semiconductor,which agrees with the density functional theory calculation results on a freestanding NBN-575-NG with the same structure.This work provides a feasible approach for the on-surface synthesis of novel NGs containing non-hexagonal rings.     

氢原子吸附对金表面金属酞菁分子的吸附位置、自旋和手征性的调控

实现单个功能有机分子构型、电子结构和自旋态的可逆调控, 是未来分子电子学和分子自旋电子学应用的关键. 近年来, 我们利用极低温强磁场超高真空扫描隧道显微镜系统, 结合第一性原理计算, 系统研究了氢原子吸附对金表面吸附的金属酞菁分子的自旋、手性和吸附位置的调控. 通过将金表面吸附的酞菁锰分子暴露于氢气或氢原子环境, 使得分子中心的磁性离子吸附单个氢原子, 从而实现了体系近藤效应由“开”到“关”的转变. 基于密度泛函理论的第一性原理计算表明, 氢原子吸附使得锰离子3d轨道内的电荷重排导致了分子的自旋由3/2降为1; 同时分子与金基底的间距增大, 使得近藤效应消失. 通过施加局域电压脉冲或者给样品加热, 可以实现单个或所有分子脱氢, 从而恢复体系的自旋态和近藤效应. 氢原子吸附还导致分子的优先吸附位置从金表面的面心立方堆垛区域变成了六角密排堆垛区域. 三个氢原子吸附于同一酞菁锰分子上, 可导致分子对称性的降低及分子镜面对称轴与金基底镜面对称轴的偏离, 从而导致手征性的出现. 这种分子吸附结构的手征性, 导致分子轨道也呈现出手征性. 这项工作为金属酞菁未来在分子电子学、自旋电子学、气体传感器等方面的应用提供了新思路.     

Na原子在Si(111)-(7×7)表面的吸附:从二维原子气到纳米团簇阵列

作者利用扫描隧道显微镜 (STM)详细研究了室温下Na原子在Si(111) (7× 7)表面的吸附 .对STM图像及功函数变化的分析表明 ,当Na原子覆盖度小于临界覆盖度 (0 .0 8ML)时 ,Na原子具有类气态的性质并可以在一个吸附能阱中快速移动 .从STM图像可看出这种移动导致的对比度调制 .在临界覆盖度以上 ,Na原子自组装形成团簇阵列 .第一原理模拟计算的结果与作者的实验结论很好吻合 .     

Si(111)-(7×7)表面上Ge量子点的自组织生长

用扫描隧道显微镜研究了Si(111)(7×7)表面上Ge量子点的自组织生长.室温下用固相外延法在硅基底上沉积亚单层的Ge,然后在适当的温度下退火可以聚集形成有序的Ge量子点.由于Ge在Si(111)(7×7)表面选择性的吸附而形成有序的Ge量子点. 关键词： 锗 硅 扫描隧道显微镜 自组织生长     

Fabrication of sulfur-doped cove-edged graphene nanoribbons on Au(111)

The on-surface synthesis from predesigned organic precursors can yield graphene nanoribbons(GNRs) with atomically precise widths, edge terminations and dopants, which facilitate the tunning of their electronic structures. Here, we report the synthesis of novel sulfur-doped cove-edged GNRs(S-CGNRs) on Au(111) from a specifically designed precursor containing thiophene rings. Scanning tunneling microscopy and non-contact atomic force microscopy measurements elucidate the formation of S-CGNRs through subsequent polymerization and cyclodehydrogenation, which further result in crosslinked branched structures. Scanning tunneling spectroscopy results reveal the conduction band minimum of the S-CGNR locates at 1.2 e V. First-principles calculations show that the S-CGNR possesses an energy bandgap of 1.17 e V,which is evidently smaller than that of an undoped cove-edged GNR(1.7 e V), suggesting effective tuning of the bandgap by introducing sulfur atoms. Further increasing the coverage of precursors close to a monolayer results in the formation of linear-shaped S-CGNRs. The fabrication of S-CGNRs provides one more candidate in the GNR toolbox and promotes the future applications of heteroatom-doped graphene nanostructures.     

Cu原子掺杂调控三聚氰胺在Au(111)表面自组装结构

The doping effect of Cu on the self-assembly film of melamine on an Au(111) surface has been investigated with scanning tunneling microscopy (STM). The evaporated Cu adatoms occupy the positions underneath the amino groups and change the hydrogen bonding pattern between the melamine molecules. Accordingly, the self-assembly structure has changed stepwise from a well-defined honeycomb into a track-like and then a triangular structure depending on the amount of Cu adatoms. The interaction between Cu adatom and melamine is moderate thus the Cu adatoms can be released upon mild heating to around 100℃. These findings are different from previous observations of either the coordination assembly or the physically trapped metal adatoms.     

Adsorption behavior of iron phthalocyanine on a Ag（110） surface

An investigation on the growth behavior of FePc on a Ag(110) surface is carried out by using scanning tunneling microscopy(STM).At an FePc coverage of 3.5 ML,an ordered superstructure(densely packed) with a lateral shift is observed.The densely packed superstructure can be attributed to the substrate commensuration and the intermolecular van der Waals attractive interaction.The in-plane lateral shift in the superphase is specifically along the direction of [10] azimuth.The results provide a new perspective to understanding the intermolecular and the molecule-substrate interactions.