Si(001)衬底上分子束外延生长Ge0.975Sn0.025合金薄膜

使用低、高温两步法生长的高质量Ge薄膜作为缓冲层,在Si(001)衬底上采用分子束外延法生长出Ge_0.975Sn_0.025合金薄膜.X射线双晶衍射和卢瑟福背散射谱等测试结果表明,Ge_0.975Sn_0.025合金薄膜具有很好的晶体质量,并且没有发生Sn表面分凝.另外,Ge_0.975Sn_0.025合金薄膜在500 ℃下具有很好的热稳定性,有望在Si基光电器件中得到应用. 关键词： GeSn Ge 分子束外延 外延生长     

Si(001)面上外延生长的Ru2 Si3电子结构及光学性质研究

基于第一性原理的赝势平面波方法,对异质外延关系为Ru2Si3(100)//Si(001),取向关系为Ru2Si3[010]//Si[110]正交相的Ru2Si3平衡体系下能带结构、态密度和光学性质等进行了理论计算.计算结果表明:当1.087 nm≤a≤1.099 nm时,正交相Ru2Si3的带隙值随着晶格常数a取值的增大而增大.当a取值为1.093 nm时,体系处于稳定状态,此时Ru2Si3是具有带隙值为0.773 eV的直接带隙半导体.Ru2Si3价带主要是由Si的3p,3s态电子及Ru 4d态电子构成;导带主要由Ru的4d及Si的3p态电子构成.外延稳定态及其附近各点处Ru2Si3介电函数的实部和虚部变化趋势基本一致,但外延稳定态Ru2Si3介电函数的曲线相对往低能区漂移,出现的介电峰减少且峰的强度明显增强.     

Chemical depth profiling and 3D reconstruction of III–V heterostructures selectively grown on non‐planar Si substrates by MOCVD

The chemical characterization of novel 3D architectures with nanometre‐scale dimensions is extremely challenging. The chemical composition of InGaAs/AlAs quantum wells selectively grown in SiO₂ trenches, 100–300 nm wide, is studied. Combining high lateral resolution 3D ToF‐SIMS analysis and Auger measurements, the chemical composition of individual trenches was obtained confirming the uniformity of these III–V heterostructures. These results correlate well with an average approach using SIMS depth profiling. The effects of ion beam orientation on the surface topography of confined structures were highlighted. (© 2015 WILEY‐VCH Verlag GmbH &Co. KGaA, Weinheim)     

Monte carlo simulation of transitions related to growth on (001) faces of Si and Ge

Based on Monte Carlo simulations for molecular beam epitaxy, three types of growth related transitions on the Si(001) and Ge(001) surfaces have been studied. In the thermal roughening simulations on a Ge(001) surface, a different type of transition from the Kosterlitz and Thouless type is obtained. The simulated result is consistent with the experimental x-ray diffraction data, at least qualitatively. In the growth simulations, a transition in the shape of growing islands is shown at the very initial stage of the homoepitaxial growth on a Si(001)-2x1 flat surface. During the transition, the step density variations as a function time show different behaviors at various temperatures. In the homoepitaxial growth on Si(001)-2x1 vicinal surfaces, the growth mode transition from two-dimensional island formation to the step-flow mode is reproduced by increasing the system temperature, which agrees qualitatively with the observed results. At the intermediate temperature, a transient growth mode is obtained, in which the two-dimensional island formation and the step flow growth modes coexist on two types of terraces on the surface.     

Photocarrier induced ferromagnetic order in III–V-based magnetic semiconductor heterostructures of (In, Mn)As/GaSb

Optically-induced ferromagnetic order in p-(In, Mn)As/GaSb heterostructures is described on the basis of both magnetization and Hall resistivity measurements. This phenomenon, now being established to be due to carrier- (hole-) induced ferromagnetism, persists at low temperatures even after switching off the light. We point out that the observed unique features are coming from the interplay between non-magnetic (GaSb) and magnetic (InMnAs) semiconductor layers.     

Magnetic shape anisotropy calculations of Fe nanostructures at the Si/Fe(1 1 1) interface

The influence of Si capping layers on the magnetic properties of thin Fe films grown on Si(1 1 1) has been studied by means of shape anisotropy calculations. Fe surface morphology simulations are realized using experimental STM data. Surface modifications induced by the interaction between the Si overlayer and the Fe surface are performed in agreement with the model proposed in a previous work by Stephan et al. [J. Magn. Mater. 293 (2005) 746]. Calculations of the uniaxial anisotropy energy constant K_u are then performed on the modified Fe surface morphology for different Si deposition geometries as proposed in the model. The relevant data deduced by this method such as anisotropy constants and their related easy axis direction, are directly compared to the experimental ones obtained by ex situ magneto-optical Kerr effect (MOKE) measurements at room temperature using the transverse bias initial inverse susceptibility and torque (TBIIST) method. We show that a very good agreement between those results leads to a confirmation of the proposed model.     

Epitaxial fabrication of AgTe monolayer on Ag(111) and the sequential growth of Te film

Transition-metal chalcogenides (TMCs) materials have attracted increasing interest both for fundamental research and industrial applications. Among all these materials, two-dimensional (2D) compounds with honeycomb-like structure possess exotic electronic structures. Here, we report a systematic study of TMC monolayer AgTe fabricated by direct depositing Te on the surface of Ag(111) and annealing. Few intrinsic defects are observed and studied by scanning tunneling microscopy, indicating that there are two kinds of AgTe domains and they can form gliding twin-boundary. Then, the monolayer AgTe can serve as the template for the following growth of Te film. Meanwhile, some Te atoms are observed in the form of chains on the top of the bottom Te film. Our findings in this work might provide insightful guide for the epitaxial growth of 2D materials for study of novel physical properties and for future quantum devices.     

Carrier-induced ferromagnetic order in the narrow gap III–V magnetic alloy semiconductor (In,Mn)Sb

Preparation and physical properties of p- and n-InMnSb epitaxial films with Mn contents up to 10% were studied with the aim of seeking phenomena induced by the spin exchange interaction between carrier and Mn spins. For p-type samples with Mn_eff=4.5×10²⁰ and p=1.1×10²⁰ cm⁻³, carrier-induced ferromagnetic order with a Curie temperature of 20 K was observed. The sign of the anomalous Hall coefficient is found to be negative. Tellurium-doped n-type samples (n=8.6×10¹⁸ cm⁻³) with net Mn contents of 10% are found to be paramagnetic.     

Dependence of plastic relaxation in GaAs films on nucleation of the first as monolayer on Si(001) substrates

The structure of GaAs films grown on Si(001) vicinal substrates (6° rotation about 〈011〉 axis) formed in two ways of nucleation, As deposition on Si and substitution of Si monolayer by As monolayer, is studied. X-ray diffractometry is used to find that the rotation direction of a crystal lattice depends on the manner of nucleation. An optional model of the formation of film dislocation structures is proposed.     

Growth of magnetic materials and structures on Si(0 0 1) substrates using Co2Si as a template layer

We report in this paper the use of Co₂Si silicide as a template layer for the integration of magnetic materials and structures on silicon substrate. By undertaking Co deposition on silicon at a temperature of about 300 °C, we show that it is possible to obtain a smooth and epitaxial Co₂Si layer, which can act as a template layer preventing the reaction between Co and other transition metals with silicon. Two examples of over-growth of magnetic materials and structures on this template layer will be presented: growth of ferromagnetic Co layers and of magnetic tunnel junctions (Co(Fe)/AlO_x/NiFe).     

The effect of controlled ion bombardment on the electronic structure of the Si(0 0 1) surface

We have studied the effects of controlled ion bombardment on the electronic structure of the Si(0 0 1) surface. The surface was exposed to various doses of Ar⁺ ions accelerated towards the surface at 500 eV. X-ray photoelectron spectroscopy (XPS) spectra of the irradiated H-terminated Si(0 0 1) surface reveal the appearance of peaks that are associated with the presence of cleaved Si bonds. Ultraviolet photoelectron spectroscopy (UPS) spectra of the irradiated Si(0 0 1)2 × 1 surface show that the dimer dangling-bond surface state decays monotonically with increasing dose. These results, coupled with previous scanning tunneling microscopy (STM) studies, indicate that the breaking of dimers, and possibly the creation of adatom-like defects, during ion irradiation are responsible for the changes in the electronic structure of the valence band for this surface.     

Hydrogen-related defect creation at the Si(100)–SiO2interface of metal-oxide-semiconductor field effect transistors during hot electron stress

We explore the hydrogen-related microstructures involved in hot electron defect creation at the Si(100)–SiO₂interface of metal-oxide-semiconductor field effect transistors. Based on the energetics of hydrogen desorption from the interface between silicon and silicon-dioxide, we argue that the hard threshold for hydrogen-related degradation may be considerably lower than the previously assumed value of 3.6 eV. Also, hydrogen atoms released from Si–H bonds at the interface by hot electron stress are trapped in bulk silicon near the interface.     

Preferential heights in the growth of Ag islands on Si(1 1 1)-(7 × 7) surfaces

Growth behavior of thin Ag films on Si substrates at room temperature has been investigated by scanning tunneling microscopy and reflection high energy electron diffraction. In the layer-plus-island growth Ag islands show strongly preferred atomic scale heights and flat top. At low coverage (1 ML), islands containing two atomic layers of Ag are overwhelmingly formed. At higher coverages island height distribution shows strong peaks at relative heights corresponding to an even number (2, 4, 6, …) of Ag atomic layers. Beyond some coverage the height preference vanishes due to the appearance of screw dislocations and spiral growth.     

Effects of substrate defects on the carbon cluster formation in graphene growth on Ni(111) surface

The growth of graphene by chemical vapor deposition on transition metal has shown promise in this regard. The main hurdle for further improvement is the lack of complete understanding of the atomistic processes involved in the early growth stages, which is conceivable because there are too many factors affecting the growth process. Using first-principles calculations, we investigate the effect of substrate defects on the graphene nucleation on the Ni(111) surface. Our calculations reveal that the defects on substrates can induce the carbon aggregation, and the corresponding structures are completely different from that on the perfect Ni surface. We also compare the critical cluster sizes for the transition from one-dimensional carbon chains to two-dimensional graphene flakes in the growth sequence. Our investigations on the effects of substrate defects would be extremely useful for the future experimental synthesis of high-quality graphene.     

The 4:5 Si-to-SiC atomic lattice matching interfaces in the system of Si(111) heteroepitaxially grown on 6H-SiC(001) substrates

Corresponding lattice planes of 4:5 Si-to-SiC atomic matching structures are observed at the Si(111)/6H-SiC(001) interface. The periodical Si/SiC interface structure is further illustrated and characterized by an atomic model derived from experiment results. It is discovered that there is a minor lattice mismatch of 0.26% in the structure. Moreover, the atomic structure of the interface and its stability are energetically investigated by molecular dynamics simulations. The results demonstrate that the atomic relaxations caused by lattice mismatch are slight to the growth of a perfect crystalline Si film and the interfaces are quite stable with the formation energy of ?22.452 eV.     

Transformations of C-type defects on Si(100)-2 × 1 surface at room temperature – STM/STS study

We present a scanning tunneling microscopy study of the C-type defects on the Si(100)-2 × 1 surface and their transformations into other defect forms at room temperature. A model of the C defect as a dissociated water molecule was adopted for interpretation of the observed transformations. We explained the transformations by hopping the H or OH between bonding sites on Si dimers. Newly, the most stable defect form, corresponding to the H and hydroxyl group adsorbed on the same dimer, is reported. Real time observations provided an explanation for the defect C2-C2 described earlier. A reversible transition of this defect into another form, not revealed yet, is presented. Electronic structure of the observed defects is studied by means of scanning tunneling spectroscopy. Measured spectra show semiconducting character of the C defect. Spectra of the other defect forms are discussed.     

Interaction of copper with sulfur on the sulfur-terminated Si(1 1 1)-(7 × 7) surface

The adsorption of S₂ on the Si(1 1 1)-(7 × 7) surface and the interaction of copper and sulfur on this sulfur-terminated Si(1 1 1) surface have been studied using synchrotron irradiation photoemission spectroscopy and scanning tunneling microscopy. The adsorption of S₂ at room temperature results in the passivation of silicon dangling bonds of Si(1 1 1)-(7 × 7) surface. Excessive sulfur forms S_n species on the surface. Copper atoms deposited at room temperature directly interact with S-adatoms through the formations of Cu-S bonds. Upon annealing the sample at 300 °C, CuS_x nanocrystals were produced on the sulfur-terminated Si(1 1 1) surface.     

The correlation between surface morphology and spectral lineshape: a re-examination of the H–Si(111) stretch vibration

The effects of atomic-scale etch pits, anisotropic etching, and surface steps on the lineshape of the Si–H stretch vibration are studied using realistic kinetic Monte Carlo simulations of etched Si(111) surfaces. All three morphological features lead to a red shift in the in-phase vibrational mode, which is due to decreased dynamic dipole coupling. Pitted surfaces have an asymmetrically broadened vibrational lineshape because the decreased symmetry lends oscillator strength to higher-order vibrational modes. A much smaller asymmetry is seen in spectra of anisotropically etched surfaces. Previous estimates of the perfection of NH₄F-etched Si(111) surfaces, which were based on infra-red lineshape measurements, are shown to overestimate the quality of the etched surfaces.     

Impact of the growth on the stability–instability transition at Si (111) during step bunching induced by electromigration

The central result of this work is the definite proof that the mechanisms of the direct current induced step bunching in the middle and high temperature domains are different. We used the recently developed technique for reflection electron microscopy (REM) observation of Si surfaces during equilibrium and during crystal growth to document the impact of the growth on the process of step bunching induced by direct current heating of an Si crystal. We found completely different effects of crystal growth on the stability of the vicinal surfaces in the two temperature domains 1160–1240°C and 1260–1320°C. In the high temperature domain step bunching takes place at step-down direction of the electric current during sublimation, equilibrium and growth; whereas in the 1160–1240°C domain bunching takes place at step-up current during sublimation and at step-down current during growth. These findings support the concept of local mass transport in the high temperature domain — the surface migration of adatoms is effectively interrupted at each step by a high rate exchange between the adlayer and the crystal phase. At 1160–1240°C the mass transport is global — adatoms easily cross the steps without taking part in the crystal–adlayer exchange. Since earlier studies of other researchers support the concept of local mass transport in the low temperature domain, 900–1050°C, a difficult question arises — why do the properties of the steps, with respect to the mass transport over the crystal surface, have a temperature dependence which is not monotonous? To explain the transition from local mass transport in the low temperature domain to global mass transport in the middle temperature domain we advance a hypothesis for a transition from a low temperature state of adsorption (Takayanagi-like adatoms, existing above the (7×7)↔(1×1) transition) to a high temperature state of adsorption (adatom with three dangling bonds) with much lower activation energy for desorption.