Structural and optical properties of metastable SiGe/Si films with a low germanium concentration

The properties of metastable Si_{1 ? x} Ge _x /Si (10% < x < 16%) layers grown by molecular beam epitaxy on Si(100) substrates have been investigated using atomic force microscopy, X-ray diffraction, and low-temperature luminescence spectroscopy. It has been shown that ring-like aggregates are formed on the surface of layers grown at temperatures of 500–700°C. The size and shape of these aggregates suggest that their formation is associated with the diffusion instability arising due to the existence of a relationship between the surface diffusion, stresses, and the wetting potential during the growth of the epitaxial film. The existence of deviations from the homogeneous germanium distribution in the layer plane has been confirmed by a detailed analysis of the X-ray rocking curves and two-dimensional diffraction patterns. The structures with severe surface disturbances are characterized by an abnormal change in the decay times of the emission lines of bulk silicon, which indicate the presence of local electric and/or strain fields in subsurface regions. The perturbations of the flat crystallization front are suppressed as the growth temperature of layers decreases to 350°C. Despite the absence of a coating layer of silicon, the photoluminescence spectra of the layers themselves depend weakly on their thickness and growth temperature and remain sensitive only to the technological concentration of germanium. A slowly decaying luminescence associated presumably with the localization of excitons near the SiGe-Si interface has been observed in one of the samples grown at a temperature of 700°C and containing a dense array of ring-like aggregates.     

Double reentrance of surface arrangements in freestanding liquid crystal films

The molecular arrangement of tilted surface layers on freestanding films above the bulk smectic-A-smectic-C(*) transition has been studied by null transmission ellipsometry. In the presence of an applied in-plane electric field, a synclinic-anticlinic-synclinic-anticlinic double reentrance has been observed. Furthermore, we have characterized a novel transition from the synclinic arrangement to a structure in which the interior layers tilt in the same orientation and the outermost surface layers tilt oppositely with the interior layers.     

Oxidation of Co(poly) and Co(1010) surfaces: Structure and temperature effects

The oxidation of Co(poly) and Co(10$\text{1}$0) surfaces has been investigated using AES within the temperature range 300–700 K. It is found that at both surfaces the initial step — dissociative adsorption of oxygen — exhibits identical kinetics, independent of temperature. Approaching the oxide layer formation regime, temperature and surface structure of the substrate as well determine the oxygen uptake. With the aid of sputter profiling through the oxidized surface layers it is seen that at both, single crystal and polycrystal, oxygen is present even far below the actual surface. The diffusion of oxygen into the bulk is found to be faster at the polycrystalline sample.     

Electronographic investigation of short-range order in the surface layers of melts

The examination of the structure of the surface layers in melts by the reflection electron diffraction has detected a shift of the diffraction bars due to the surface monolayer and subsequent atomic layers. The magnitude of the shift depends on the surface layer thickness. An analysis of structure curves revealed a difference between the first monoatomic layer and the bulk.     

Crystallization of glassy metal surfaces in Mg–Zn alloy determined by resonant photoacoustic detection

Amorphous layers in a Mg-based alloy are studied by a resonant photoacoustic technique. The technique is shown to provide information on the crystallization temperature of a thin amorphous layer when the sample is heated. This determination provides crucial information regarding thermal stability of the treated surface, not accessible by standard calorimetric techniques. The layer analyzed is tens of micrometers thick, produced by rapid melting by a pulsed electron gun and subsequent rapid cooling towards the substrate. It is shown that the signal from the photoacoustic detection arises mainly from the volume change during crystallization at about 390 K. The volume change due to the structural relaxation of the glass before crystallization is also detected. PACS 64.70.Pf; 78.20.Nv; 81.70.Cv     

A STUDY OF THE CRYSTALLIZATION OF AMORPHOUS Cu60Zr40 ALLOY

The crystallization of the amorphous Cu₆₀Zr₄₀ alloy has been studied by differential scanning calorimetry (DSC), scanning Auger microprobe (SAM) and transmission electron microscopy (TEM). The DSC trace showed that the sample exhibited a glass transition at 750 K and a strong exothermic effect beginning from 782 K. An enrichment of the element Zr and significant oxygen contamination in a zone near the surface to a depth of about 10 nm were revealed by SAM in the analysis of surface competition and depth profiles of the Cu₆₀Zr₄₀ sample. Also, the change of concentration ratio of Ca to Zr in amorphous matrix at the clean Cu₆₀Zr₄₀ surface as a function of annealing temperature was examined in detail, and it was found that the concentration of Zr at the surface is slightly higher than that in the bulk until 780K and that the concentration ratio of Cu to Zr in matrix has an abrupt increase in the temperature range of 780-800K. The observations by high resolution TEM revealed the appearance of cluster-like regions of approximately 1.5-2.0 nm in size just before crystallization and they distributed randomly throughout the sample. This phenomenon is analogous to the results obtained using field ion microscopy (FIM) by the present authors. The microstructural changes of the sample daring heating show the gradual crystallization of the amorphous matrix.     

Shape-memorizable styrene-butadiene block copolymer. I. Thermal and mechanical behaviors and structural change with deformation

Thermal properties in the range from room temperature to 150°C, mechanical properties from room temperature to 80°C, and structural changes by drawing and contraction at 80°C followed by crystallization have been studied in a crystalline styrene-butadiene block copolymer, which has the property of shape memory, using differential scanning calorimetry (DSC), mechanical analysis, wide-angle x-ray diffraction (WAXD), and smallangle x-ray scattering (SAXS). This copolymer has the crystal transformation temperature, the melting temperature of the trans- 1,4-polybutadiene domains, and the higher glass transition temperature of the polystyrene domains. When a high strain is adopted for the deformation at 80°C (i.e., between the melting temperature of the polybutadiene [PB] domains and the glass transition temperature of the polystyrene regions) and crystallization conditions with fixed ends are employed, a fibrillar structure with a better regularity of long spacings and a high orientation of crystals forms. When the drawn sample is allowed to contract at 80°C, the high contraction or the shape recovery appears. Nevertheless, crystallization after contraction presents essentially the same supermolecular structure as that before contraction. It is suggested that the molecular chains of polybutadiene were inhibited from flowing freely by the glassy polystyrene molecules and that there must be some structural units separated by amorphous domains that contribute to the elongation and contraction at the high temperature.     

Influence of the size and shape of free nanoparticles on the local changes in the lattice parameter and on the structural stability of body-centered cubic zirconium and iron

The influence of the shape and size of nanocrystals on the lattice relaxation of body-centered cubic metals (zirconium, iron) at a constant temperature has been investigated using the molecular dynamics method with the many-body interatomic interaction potential obtained in terms of the embedded-atom model. The calculations have been performed for isolated clusters with sizes ranging from 2.5 to 17 nm for zirconium and from 2 to 14 nm for iron. It has been demonstrated that, in free zirconium and iron particles, the relaxation of the lattice constant along the [100], [010], and [001] directions has an oscillatory character. Irrespective of the size of the zirconium and iron particles, the equilibrium distances between atoms at the center of cubic clusters are minimum compared to those observed in near-surface layers and the equilibrium value of the lattice parameter for the bulk sample. In spherical clusters, the region of a maximum contraction corresponds to a depth approximately equal to 0.2 particle diameter from the surface. An increase in the size of both cubic and spherical clusters leads to a decrease in the deviation of the local lattice parameter from the equilibrium value for the bulk sample. It has been established that the size and shape of the cluster substantially affect the temperature and mechanism of the structural transformation from the body-centered cubic phase into the hexagonal close-packed phase.     

Phase transition between (2 × 1) and <Emphasis Type="Italic">c</Emphasis>(8 × 8) reconstructions observed on the Si(001) surface around 600°C

The Si(001) surface subjected to different treatments in ultrahigh vacuum molecular beam epitaxy chamber for SiO₂ film decomposition has been in situ investigated by reflected high energy electron diffraction (RHEED) and high resolution scanning tunneling microscopy (STM). A transition between (2 × 1) and (4 × 4) RHEED patterns was observed. The (4 × 4) pattern arose at T ≤ 600°C during the post-treatment cooling of the sample. The reconstruction was observed to be reversible. The c(8 × 8) structure has been revealed by STM at room temperature on the same samples. The (4 × 4) patterns have been evidenced to be a manifestation of the c(8 × 8) surface structure in RHEED. The phase transition appearance has been found to depend on thermal treatment conditions and sample cooling rate.     

Effect of a magnetic field on the orientation of the crystallographic axes in tin surface layers

¹¹⁹Sn NMR studies have revealed that tin layers formed upon crystallization of a melt on the surface of bulk polycrystalline β-Sn samples in a dc magnetic field of 9.4 T are oriented with respect to the direction of the magnetic field. A comparison of the intensities of the signals obtained from melted and crystallized layers has shown that the volume of the oriented regions can approach that of the entire melted surface layer.     

Confinement-induced ordering of alkanes between an elastomer and a solid surface

We have studied the molecular structure of liquid alkanes confined between a flexible elastomeric poly(dimethyl siloxane) lens and a rigid sapphire substrate using surface-sensitive infrared-visible sum frequency generation spectroscopy. The reduction in the gauche defects suggests ordering of liquid alkanes under confinement. The cooling of confined liquid below the freezing temperature leads to crystallization with alkane molecules lying on the substrate with the symmetry axis parallel to the surface normal. This structure is very different from the bulk alkane crystals next to sapphire or air interfaces.     

Ultrathin multilayer of Fe and Ge: structure and magnetic properties

Metal-semiconductor multilayers are interesting, artificial structures as prospective candidates for spin injection devices. A Fe–Ge multilayer sample with very thin individual layers (few crystallographic planes) has been deposited by sputtering on Si[1 0 0] substrate. We have characterized the structure of this multilayer sample using X-ray diffraction, X-ray reflectometry and neutron reflectometry. The magnetic moment density in the ferromagnetic Fe layer has been obtained by polarized neutron reflectometry and the bulk magnetic behavior of the thin film by SQUID magnetometer measurements. We found that the film is a soft ferromagnet at room temperature with a substantially reduced magnetic moment of the Fe atoms.     

a-Si:H/a-SiNx:H超晶格薄膜光致发光性质的研究

本文报道了a-Si:H/a-SiNx:H超晶格薄膜光致发光某些性质的研究。实验发现,这种超晶格薄膜光致发光的强度和峰值能量随交替层a-Si:H厚度,测量温度及光照时间等而变化。同时还发现,在阴、阳两极上,利用GD法沉积的样品,发光强度和峰值能量也有所不同。文中对这些实验结果作了初步解释。     

氮化硅介质中双层纳米硅薄膜的两级电荷存储

研究镶嵌在超薄非晶氮化硅(a-SiN_x)层之间的双层纳米硅(nc-Si)的电荷存储现象.利用等离子体增强化学气相淀积(PECVD)技术在硅衬底上制备a-SiN_x/a-Si/a-SiN_x/a-Si/a-SiN_x多层薄膜结构.采用常规热退火方法使非晶硅(a-Si)层晶化，形成包含双层nc-Si的金属-氮化物-半导体(MIS)结构.通过电容电压(C-V)特性测量，观测到该结构中由于电荷存储引起的C-V回滞现象，并在室温下成功观察到载流子基于Fowler-Nordheim(F-N)隧穿注入到第一层、第二层nc-Si的两级电荷存储状态.结合电流电压(I-V)特性的测量，对电荷存储的机理进行了深入分析. 关键词： 纳米硅 氮化硅 电容电压法 电流电压法     

A STUDY OF THE CRYSTALLIZATION OF AMORPHOUS Cu60Zr40 ALLOY

The crystallization of the amorphous Cu₆₀Zr₄₀ alloy has been studied by differential scanning calorimetry (DSC), scanning Auger microprobe (SAM) and transmission electron microscopy (TEM). The DSC trace showed that the sample exhibited a glass transition at 750 K and a strong exothermic effect beginning from 782 K. An enrichment of the element Zr and significant oxygen contamination in a zone near the surface to a depth of about 10 nm were revealed by SAM in the analysis of surface competition and depth profiles of the Cu₆₀Zr₄₀ sample. Also, the change of concentration ratio of Ca to Zr in amorphous matrix at the clean Cu₆₀Zr₄₀ surface as a function of annealing temperature was examined in detail, and it was found that the concentration of Zr at the surface is slightly higher than that in the bulk until 780K and that the concentration ratio of Cu to Zr in matrix has an abrupt increase in the temperature range of 780-800K. The observations by high resolution TEM revealed the appearance of cluster-like regions of approximately 1.5-2.0 nm in size just before crystallization and they distributed randomly throughout the sample. This phenomenon is analogous to the results obtained using field ion microscopy (FIM) by the present authors. The microstructural changes of the sample daring heating show the gradual crystallization of the amorphous matrix.     

Effect of water on the α-β phase transition in a surface quartz layer

The temperature dependence of the α-phase concentration in surface layers and in the bulk of quartz plates cut out at a distance of ～2 mm from the natural growth surface of druses extracted at the Dodo deposit in the Polar Urals has been studied using infrared and Raman spectroscopy. It has been found that, in the bulk of the sample, the temperature dependence behaves as expected for a first-order phase transition; more specifically, below 800 K, it remains unchanged and, at high temperatures, approaches zero. In surface layers with thicknesses of ～0.15 and ～0.8 μm, the α-phase concentration decreases monotonically by approximately 10% with an increase in the temperature to 780 K. The temperature dependence of the α-phase concentration in the layer at a depth of ～6 μm passes through two minima, namely, at ～370 and ～570 K, at which the concentration of this phase decreases by about one half. This is accompanied by an increase in the concentration of the β-phase. The revealed behavior of the α-phase concentration with an increase in the temperature has been assigned to the influence of water on crystal lattice distortions near growth dislocations. At 370 K, free water evaporates from grain boundaries, and at 570 K, the water bound by hydrogen bonds to the SiOH groups. The evaporation of water affects stresses at grain boundaries, and it is this factor that brings about a change of the α-phase concentration. It has been demonstrated that tensile stresses generated with increasing temperature in a near-surface quartz layer to ～0.8 μm thick can reach ～170 MPa. The stresses create microcracks, which culminate in destruction of the sample. The generation of the tensile stresses is explained by an increase in the volume of the microcrystal layer located at a depth from ～1 to ～8 μm from its surface as a result of the increase in the β-phase concentration in it.     

分子动力学模拟尺寸对纳米Cu颗粒等温晶化过程的影响

采用分子动力学方法和镶嵌原子势, 模拟了4000个Cu原子和13500个Cu原子(简称Cu₄₀₀₀和Cu₁₃₅₀₀)组成的纳米颗粒以及块体Cu的等温晶化过程. 通过对这些颗粒在晶化过程中结构和动力学行为的分析研究, 发现低温时, 不同尺寸的纳米Cu颗粒均出现多步晶化, 且晶化时间的分布曲线远比高温时范围大; 除了温度, 颗粒尺寸对晶化行为也有重要的影响, 尺寸越大, 晶化时间越长, 最终的晶化程度越高; 但是晶化时间随尺寸增大而增加的趋势不会一直持续, 发现存在一个临界尺寸r_c, 小于r_c时, 晶化时间随颗粒尺寸增大而增加, 大于r_c时,晶化时间随尺寸增大而减小.     

Valence band photoemission from in-situ grown GaAs(100)-c(4 × 4)

The electron structure of GaAs(100)-c(4 × 4) has been studied by means of angular-resolved photoelectron spectroscopy for photon energies (20–40) eV. The sample was prepared by molecular beam epitaxy in-situ at the BL41 beamline of the MAX I storage ring of the Max-lab in Lund. Photon energy variation helped in separating dispersing bulk features from nondispersing surface features in the energy distribution curves recorded at normal emission. Two sets of peaks were related to bulk transitions from the two topmost E(k _⊥) branches of the valence band of GaAs and one more set came from the surface state in the center of the 2D Brillouin zone. Good agreement was found between experimental bulk dispersion branches and theoretical calculations based on realistic final state dispersion. The surface state peak, hardly visible at 20 and 22 eV photon excitations, gets clearly enhanced at higher excitation energies. In contrast to earlier measurements of this kind, two major differences have been found: (i) clearly developed surface state peak just below the top of the v alence band, (ii) absence of a large peak in the electron energy distribution at around −6.5eV below the valence band top. Presented at the X-th Symposium on Suface Physics, Prague, Czech Republic, July 11–15, 2005.     

A theoretical study of Zn adsorption and desorption on a Pd(111) substrate

The adsorption and structure of Zn on a Pd(111) surface has been investigated using density functional theory (DFT). It could be shown that Zn prefers adsorption sites with a maximum amount of Pd neighbours on the Pd(111) surface. Zn does form a stable PdZn surface alloy on Pd(111) which shows a (2 × 1) structure. The surface energy of this surface alloy decreases with increasing numbers of PdZn layers. Furthermore the adsorption of Zn on the PdZn surface alloy was investigated. The electronic structure of the Zn layers approaches the bulk Zn state only after a thickness of 4 additional Zn layers. A clear charge transfer between Pd and Zn has been found and the electronic structure of the Zn suggests an anisotropic binding of the Zn, with higher binding energy within a Zn layer and lower binding energy between two Zn layers. This is also reflected in the different desorption energies of different Zn layers found in experiments.     

Depth-profile investigations of triterpenoid varnishes by KrF excimer laser ablation and laser-induced breakdown spectroscopy

The ablation properties of aged triterpenoid dammar and mastic films were investigated using a Krypton Fluoride excimer laser (248 nm, 25 ns). Ablation rate variations between surface and bulk layers indicated changes of the ablation mechanisms across the depth profiles of the films. In particular, after removal of the uppermost surface varnish layers there was a reduction of the ablation step in the bulk that was in line with a significant reduction of carbon dimer emission beneath the surface layers as detected by laser-induced breakdown spectroscopy. The results are explicable by the generation of condensation, cross-linking and oxidative gradients across the depth profile of triterpenoid varnish films during the aging degradation process, which were recently quantified and established on the molecular level.