First-Principles Calculations of Atomic and Electronic Properties of T1 and In on Si（111）

The atomic and electronic structures of T1 and In on Si（111） surfaces are investigated using the firstprinciples total energy calculations. Total energy optimizations show that the energetically favored structure is 1/3 ML T1 adsorbed at the T4 sites on Si（111） surfaces. The adsorption energy difference of one T1 adatom between （√3 × √3） and （1 × 1） is less than that of each In adatom. The DOS indicates that TI 6p and Si 3p electrons play a very important role in the formation of the surface states. It is concluded that the bonding of TI adatoms on Si（111） surfaces is mainly polar covalent, which is weaker than that of In on Si（111）. So T1 atom is more easy to be migrated than In atom in the same external electric field and the structures of T1 on Si（111） is prone to switch between （√3 × √3） and （1 × 1）.     

Effects of AlGaN/AlN Stacked Interlayers on GaN Growth on Si （111）

We report the growth of high quality and crack-free GaN film on Si （111） substrate using Al0.2Ga0.8N/AlN stacked interlayers. Compared with the previously used single AlN interlayer, the AlGaN/AlN stacked interlayers can more effectively reduce the tensile stress inside the GaN layer. The cross-sectional TEM image reveals the bending and annihilation of threading dislocations （TDs） in the overgrown GaN film which leads to a decrease of TD density.     

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).     

Defects in GaN Films Grown on Si（111） Substrates by Metal-Organic Chemical Vapour Deposition

We report the transmission-electron microscopy study of the defects in wurtzitic GaN films grown on Si(111) substrates with AlN buffer layers by the metal-organic chemical vapour deposition method. The In0.1 Ga0.9N/GaN multiple quantum well (MQW) reduced the dislocation density by obstructing the mixed and screw dislocations passing through the MQW. No evident reduction of the edge dislocations density by the MQW was observed. It was found that dislocations with screw component can be located at the boundaries of sub-grains slightly in-plane misoriented.     

Ge在Si(111)7×7表面的选择性吸附

利用超高真空扫描隧道显微镜研究了室温条件下Ge在Si(111)7×7表面上初期吸附过程.在Ge所形成团簇中存在一个临界核.这些Ge团簇的吸附中心总是在三个增原子所围成的区域中.它们的电子结构具有类似半导体的性质,即其局域态密度在远离费米面的能级处很大,而在费米面附近的能级处非常小. 关键词： 扫描隧道显微镜 Si(111)7×7表面 Ge团簇     

Anomalous Magneto-Transport Properties of Epitaxial Single-Crystal Bi Films on Si（111）

Anomalous transport properties of 40-nm-thick single-crystal Bi（111） films grown on Si（111）-7 × 7 substrates is investigated. The magnetoresistance （MR） of the films in perpendicular magnetic field shows a regular positive behavior in the temperature range 2–300K, the MR in parallel field （B｜｜） displays a series of interesting features. Specifically, we observe a change of the MR （B｜｜） behavior from positive to negative when the temperature is below 10K. In the range 10–170 K, the MR （B｜｜） is negative in the investigated field of 9T. When T 〉 170 K, a positive MR appears in the high field regime. The low temperature MR（B｜｜） behavior in the parallel field can be understood by the competition between weak localization and weak anti-localization （WAL）. Furthermore, our results suggest that the WAL is dominated by the interface carriers.     

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.     

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     

Electrical properties of MOCVD-grown GaN on Si （111） substrates with low-temperature AIN interlayers

The electrical properties of the structure of GaN grown on an Si （111） substrate with low-temperature （LT） A1N interlayers by metal-organic chemical-vapour deposition are investigated. An abnormal P-type conduction is observed in our GaN-on-Si structure by Hall effect measurement, which is mainly due to the A1 atom diffusing into the Si substrate and acting as an acceptor dopant. Meanwhile, a constant n-type conduction channel is observed in LT-A1N, which causes a conduction-type conversion at low temperature （50 K） and may further influence the electrical behavior of this structure.     

Interfacial Properties of AlN／Si（111） Grown by Metal—Organic Chemical Vapour Deposition

We have studied the interfacial structures of AlN/Si(111) grown by metal-organic chemical vapour deposition.X-ray photoelectron spectroscopy and Anger electron spectroscopy were used to analyse the components and chemical structures of AlN/Si(111).The results indicated that a mix-crystal transition region,approximately 12nm,was present between the AlN film and the Si substrate and it was composed of AlN and Si3N4.After analysis we found that the existence of Si3N4 could not be avoided in the AlN/Si(111) interface because of strong diffusion at 1070℃.Even in AlN layer Si-N bonds,Si-Si bonds can be found.     

在Si（111）—（7×7）表面自组织生长二维Ge团簇超晶格

利用超高真空扫描隧道显微镜研究了室温条件下亚单层Ge在Si(111)-(7×7)表面上的自组织生长.通过控制Ge的沉积量,在Si(111)-(7×7)表面上自组织生长成一种具有六重对称性的二维Ge团簇超晶格.构成超晶格的Ge团簇均位于(7×7)亚单胞的位置上,而且它们的形状和大小基本保持一致.文中对这种自组织结构的形成机理进行了讨论.     

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.     

Self-assembly and growth of manganese phthalocyanine on an Au（111） surface

Self-assembly and growth of manganese phthalocyanine (MnPc) molecules on an Au(111) surface is investigated by means of low-temperature scanning tunneling microscopy. At the initial stage, MnPc molecules preferentially occupy the step edges and elbow sites on the Au(111) surface, then they are separately adsorbed on the face-centered cubic and hexagonal closely packed regions due to a long-range repulsive molecule—molecule interaction. After the formation of a closely packed monolayer, molecular islands with second and third layers are observed.     

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）.