Growth and desorption of indium epitaxial layers investigated by high field microscopy

Growth of indium single crystals on tungsten field emission tips was carried out by deposition of indium from vapour in ultra high vacuum, using substrate temperatures in the range of 293–420 K. Two different tungsten tips were used as the substrate: a perfect W single crystal in one case and a bi-crystal with a distinct grain boundary in the other. No influence of the grain boundary on the epitaxial growth was found. Two orientation relationships were observed mostly: {111}In ∥ {110}W with 〈110〉In ∥ 〈111〉W and {111}In ∥ {100}W with 〈110〉In ∥ 〈110〉W. In the first case the growth was initiated by the indium nucleus created on the ledges of the {110}W plane. A field strength of 0.9 V/Å was found for the evaporation field of indium. The field strength of the desorption of In-W interfacial layer atoms was found to be 4.4–5.2 V/Å. A mechanism of the growth of indium crystals has been proposed.     

CVD金刚石薄膜孪晶形成的原子机理分析

采用X射线衍射技术、电子背散射衍射技术和扫描电镜分别观察了不同甲烷浓度条件下沉积的CVD自支撑金刚石薄膜的宏观织构、晶界分布和表面形貌. 研究了一阶孪晶在金刚石晶体{111}面生长的原子堆垛过程. 结果表明，由于一阶孪晶〈111〉60°的取向差关系以及{111}面的原子堆垛结构，使{111}面上容易借助碳原子的偏转沉积产生一阶孪晶. 低甲烷浓度时，碳原子倾向于在表面能较低的{111}面沉积，为孪晶的形成提供了便利，且高频率孪晶使薄膜织构强度减弱. 甲烷浓度升高使生长激活能较小的{001}面成为主要前沿生长面，因而只有〈001〉晶向平行薄膜法向的晶粒能够不断长大，因此孪晶形核概率明显减小. 另外，在薄膜中发现二阶孪晶，并对二阶孪晶的形成进行了分析. 关键词： 金刚石薄膜 孪晶 原子机理 取向差     

Nucleation and orientation of graphite{0001} layers on Pt{110}

Investigations by field electron microscopy revealed that graphite{0;0001} layers grow preferentially on Pt{110}. Layer nucleation and initial growth occurs in the vicinal area of {110} along the 〈112〉 and the 〈100〉 zones and not on the unstepped {110} plane itself. The growth rate in the vicinal area is determined by the epitaxial misfit parallel to the step edges. An alignment of the graphite layer with the underlying {110} is observed. It corresponds to graphite〈101̄0〉 ∥ Pt〈100〉, which coincides with the calculated orientation of smallest epitaxial misfit. The change of relative emission from {110} upon adsorption of graphite is discussed.     

Lattice reorientation in the shear bands of {112}〈131〉 crystallites in an Fe-3%Si alloy

Subregions (0.1 μm) with the {110}〈113〉 orientation form in shear bands in grains with the {112}〈131〉 orientation in a deformed (? ≈ 50%) polycrystalline Fe-3%Si alloy sample. The relationship between the matrix and the subregions in the shear bands is described by a special misorientation close to Σ5. It is assumed that the subregions that have a {110}〈hhl〉 orientation and special misorientation Σ5 with the surrounding matrix and form in the shear bands of crystallites with orientations other than {111}〈112〉 can serve as anomalous growth nuclei during heat treatment because of a high density of special Σ5 boundaries.     

Surface free energy anisotropy measurement of indium

The equilibrium shape of In crystallites shows {111}, {001}; and {100} plane faces. The facets are connected by curved surfaces with smooth edges. The Wulff construction allows the surface free energy anisotropy to be measured in the main zones of the crystal, i.e. 〈001〉, 〈100〉, 〈110〉 and 〈011〉. The higher surface free energy is found in the 〈011〉 direction. Within the accuracy of the measurements the {001} and {100} faces show the same energy.     

Influence of low-temperature annealing on the microstructure of cryogenically deformed copper

The microstructure formation during annealing of cryogenically deformed copper was studied. It was shown that the primary recrystallization was completed already after a one-hour annealing at 150°C. It was found out that grains with the crystallographic orientation close to {112}〈111〉, {4; 4; 11}〈11; 11; 8〉, {110}〈122〉, and {130}〈132〉 had an advantage in the growth, which, apparently, was associated with a relatively low energy stored during the deformation.     

On the adsorption of oxygen on the Mo{110} surface and its vicinals

The adsorption of oxygen on a Mo{110} surface and four vicinal planes with steps parallel to 〈100〉, 〈110〉 and 〈111〉 directions, is studied by Auger electron spectroscopy (AES) and low energy electron diffraction (LEED). The work has the goal to elucidate whether O adsorption on Mo{110} is really as different from O adsorption on W{110} as reported, and what is the cause of the apparent discrepancies between the various reported sticking coefficients on stepped surfaces.     

Growth and stability of carbon islands on platinum surfaces

Details of the growth of C(graphite) islands and their stability on Pt surfaces were studied by FEM, UHV-SEM and very high resolution scanning AES. Initial nucleation of the C occurs on dislocations in the curved high index surface areas. Above 1150 K these randomly distributed islands dissolve and face specific layers are formed on {110} which can extend along the 〈100〉 zones all the way to the {100} planes. The sequence of stability of graphite layers on Pt is: {110} > all other {hk0} on the 〈100〉 zone except {100} > {100} followed closely by {111}. Concerning this layer stability, epitaxial mismatch plays a subservient role to the dipole interaction between metal substrate and graphite layer.     

Cu(111)三维表面岛对表面原子扩散影响的分子动力学研究

采用嵌入原子方法的原子间相互作用势，利用分子动力学方法计算了同质外延生长中不同层数的三维Cu(111)表面岛上表面原子扩散激活能，分析了三维表面岛的层数对表面原子交换扩散和跳跃扩散势垒的影响. 研究结果表明，二维Enrilich-Schwoebel(ES)势垒小于三维ES势垒，且三维ES势垒不随表面岛层数的增加而显著变化. 对于侧向表面为(100)的表面岛，表面原子沿〈011〉方向上的扩散行为，随表面岛层数增加而逐渐变化；在表面岛层数达到3层时，扩散路径上的势垒变化趋于稳定，表面原子扩散以下坡扩散为主. 对于侧面取向为(111)的表面岛，当表面岛层数大于3层后，开始呈现上坡扩散的可能. 关键词： 表面原子 扩散 分子动力学模拟     

Atomically sharp 〈111〉 trihedral angle of a tungsten tip

The processes occuring in the course of heating of a tungsten tip in an electric field and resulting in the formation of the 〈111〉 trihedral angle at the intersection of three {011} closest packed planes in the crystal lattice of tungsten are investigated using field-emission microscopy, continuous-mode field-desorption microscopy, and high-temperature field evaporation microscopy. It is demonstrated that atomically sharp angles can be formed at temperatures above 2200 K in the absence of field evaporation. An atom forming the apex of the trihedral angle lies in the triangle of atoms arranged in the (111) plane. In the triangle, each atom is located at the intersection of the 〈111〉 close-packed atomic rows, which are the boundaries of the {011} planes forming the trihedral angle and the {112} planes forming the angle edges two rows in width.     

Hydrogen diffusion in the elastic fields of dislocations in iron

The effect of dislocation stress fields on the sink efficiency thereof is studied for hydrogen interstitial atoms at temperatures of 293 and 600 K and at a dislocation density of 3 × 10¹⁴ m^–2 in bcc iron crystal. Rectilinear full screw and edge dislocations in basic slip systems 〈111〉{110}, 〈111〉{112}, 〈100〉{100}, and 〈100〉{110} are considered. Diffusion of defects is simulated by means of the object kinetic Monte Carlo method. The energy of interaction between defects and dislocations is calculated using the anisotropic theory of elasticity. The elastic fields of dislocations result in a less than 25% change of the sink efficiency as compared to the noninteracting linear sink efficiency at a room temperature. The elastic fields of edge dislocations increase the dislocation sink efficiency, whereas the elastic fields of screw dislocations either decrease this parameter (in the case of dislocations with the Burgers vector being 1/2〈111〉) or do not affect it (in the case of dislocations with the Burgers vector being 〈100〉). At temperatures above 600 K, the dislocations affect the behavior of hydrogen in bcc iron mainly owing to a high binding energy between the hydrogen atom and dislocation cores.     

bcc Fe中刃型位错的结构及能量学研究

基于位错理论，利用分子动力学方法建立了〈100〉{010}，〈100〉{011}，1/2〈111〉{011}和1/2〈111〉{112}刃型位错的芯结构，并计算了这四种刃型位错的形成能、位错芯能量和芯半径.计算结果表明：〈100〉{010}和〈100〉{011}刃型位错的形成能比1/2〈111〉{011}和1/2〈111〉{112}刃型位错的要高，这表明〈100〉刃型位错比1/2〈111〉刃型位错更难形成.而〈100〉{010}和〈100〉{011}刃型位错的芯半径比1/2〈111〉{011}和1/2〈111〉{112}刃型位错的小，这说明在1/2〈111〉刃型位错中位于奇异区的原子数多于〈100〉刃型位错，而这些原子要比完整晶体中的原子具有更大的活性.可见，1/2〈111〉刃型位错比〈100〉刃型位错更易运动，且〈100〉刃型位错在bcc Fe中难以形成. 关键词： bcc Fe 刃型位错 分子动力学模拟     

Dislocations in Fe-3% Si alloy single crystals deformed at a higher rate

The method of etching dislocations is used to study the distribution of dislocations and twins in Fe-3% Si alloy single crystals prepared from the melt after plastic deformation with higher speed. The crystals are deformed by twinning in the 〈111〉 directions along the {112} planes and by slip in the 〈111〉 directions along the {110} planes. The results prove that the dislocations causing plastic deformation move in the {110} planes during both fast and slow deformation. The difference in the slip surfaces during fast and slow deformation is explained by the different number of cross slips per unit dislocation path.     

Special misorientations in localized deformation regions in Fe-3%Si alloy single crystals

Extended regions located at an angle of 20° to the rolling plane are observed inside deformation bands in a (110)[001] Fe-3%Si alloy single crystal at a high strain (～60%). These regions were interpreted earlier as shear bands. The lattice orientation in these bands is close to (110)[001], and their habit plane is parallel to the {112} planes of the deformed {111}〈112〉 matrix. The misorientations between the bands and the matrix group around special misorientations Σ9, Σ19a, Σ27a, and Σ33a, which are characterized by close angles of rotation about axis 〈110〉. During primary recrystallization, the (110)[001] grains growing from the bands retain segments of the corresponding special boundaries with the deformed matrix.     

Orientation of chemisorbed species from electron impact and dipole selection rules: The formate ion on Pt{110}

Selection rules in high resolution electron energy loss spectroscopy are shown to permit a determination of the structure of formate ions adsorbed on Pt{110} from data obtained on and off specular along three different azimuthal directions. Long-range dipole scattering indicates that the ion is adsorbed upright bonding, through the two oxygen atoms. Shorter-range impact scattering provides the further information that the ion is coplanar with the 〈110〉 direction and tilted (in the same plane) through at most 10^° from the surface normal.     

Shear band formation in IF steel during cold rolling at medium reduction levels

The mechanisms of shear band formation in IF steel after cold rolling to ～50% reductions have been investigated using transmission electron microscopy. The observations revealed that shear bands were always parallel to a second set of microbands, where these exist, and contained within individual crystals, indicating that shear banding is controlled by orientation. Crystallographic analysis revealed that shear banding involves two mechanisms, dislocation glide and rigid-body rotation. In the first step, dislocation glide causes a rotation about the 〈211〉 axis to produce the so called ‘S’ band, which gives the shear band its crystallographic character. In the second step, when the most heavily stressed slip plane parallel to the shear band is of the form {110}〈111〉, rigid-body rotation continues about the 〈211〉 axis in the sheared zone and, then, a rotation about the transverse direction (TD) is promoted by the geometry of the sample. Using rigid-body matrix theory, the calculated orientations of shear bands are shown to be in agreement with experimental observations. The process outlined is capable of explaining how slip processes in grains that contain microbands, using either {110} or {112} slip planes, can produce crystallographic shear bands.     

替位杂质对低能Pt原子与Pt(111)表面相互作用影响的分子动力学模拟

采用嵌入原子方法的原子间相互作用势，通过分子动力学方法模拟了低能Pt原子与Cu，Ag，Au，Ni，Pd替位掺杂Pt(111)表面的相互作用过程，系统研究了替位原子对表面吸附原子产额、溅射产额和空位缺陷产额的影响规律，分析了低能沉积过程中沉积原子与基体表面的相互作用机理以及替位原子的作用及其影响规律.研究结果显示：替位原子的存在不仅影响着沉积能量较低时的表面吸附原子的产额与空间分布，而且对沉积能量较高时的低能表面溅射过程和基体表面空位的形成产生重要影响.替位原子导致的表面吸附原子产额、表面原子溅射以及空位形 关键词： 分子动力学 低能粒子 替位掺杂 表面原子产额 溅射 空位     

Self-organized in-plane incorporation of Si atoms in GaAs by molecular beam epitaxy

The preferential attachment of Si atoms at misorientation steps on vicinal GaAs(001) surfaces has been studied by RHEED. By analysing the time evolution of the specular beam intensity and the change in surface reconstruction during Si deposition we show that a self-organized Si incorporation along the step edges takes place. The observed (3×2) structure is due to an ordered array of dimerized Si atoms with missing dimer rows. Taking into account the structure of the (3×2) unit mesh and its orientation with respect to the As-terminated or Ga-terminated steps, a characteristic minimum in the RHEED intensity recording corresponds to the number of Ga step-edge sites. Since the preferential path for Ga as well as for Si adatom diffusion is along the [110] direction, the critical terrace width for wirelike Si attachment is much larger for a misorientation toward (111)As than for a misorientation toward (111)Ga. Despite the high local impurity concentration, the Si-modified surface can be overgrown with GaAs without adverse effects on the growth front. This is promising for the fabrication of doping wires.     

β—SiC外延层中晶体缺陷的观察

用腐蚀法研究了β-SiC外延层中的晶体缺陷。腐蚀剂为熔融氢氧化钾。三角形尖底蚀坑对应于位错。在β-SiC中的全位错为立方晶系的73°位错和60°位错。不同堆垛方式的β-siC生长层相遇时将形成{111}交界层错,其腐蚀图象为平行于<110>方向的直线。60°位错可分解为两个1/6<112>SchockLey不全位错,并夹着一片{111}层错构成扩展位错。三个1/6<110>压杆位错与三片{111}层错可构成层错锥体。正、反堆垛的β-SiC可形成尖晶石律双晶,双晶面为(111)。腐蚀法和X射线劳厄法证实了这种双晶的存在。 关键词：     

Evolution of texture in electrodeposited Ni/Cu layered nanostructures

The objective of this research was to study the evolution of crystallographic texture in electrodeposited Ni/Cu laminated nanostructures. Thick films (14-40 µm) consisting of nickel and copper nanolayers (7-27 nm) were fabricated on annealed polycrystalline copper substrates using an electodeposition technique. The microstructure of the deposits was varied by changing the deposition time of each layer and the electrolyte temperature. X-ray diffraction, transmission electron microscopy and scanning electron microscopy were applied to characterize the deposits. Three microstructural behaviours were observed. The deposit with a very fine bilayer thickness (7 nm) was composed of coherent layers parallel to the substrate surface. This deposit replicated the cube orientation of the substrate and showed a strong ?100? texture throughout the thickness of the deposit. An increase in the bilayer thickness (17 and 27 nm) caused a change in the texture from ?100? on the substrate side to ?111? on the solution side. This change in texture is suggested to be associated with a change in the deposition front orientation from {100} to {110} and the subsequent twinning of the cube-oriented crystals. A decrease in the electrolyte temperature inhibited faceting of the interface and hence no twinning was observed.