The simulation of nanoscale sputter depth profiles using molecular dynamics

The feasibility of using molecular dynamics (MD) for simulation of a nanoscale sputter depth profile experiment is examined for the idealised case of depth profiles of individual atomic layers in a Cu(1 0 0) target. Issues relating to the extraction of depth profile information from MD simulations are discussed in detail. The simulations examine the sputter erosion of static and azimuthally-rotated Cu(1 0 0) targets produced by 3 keV Ar projectiles incident at 25° from the surface. The simulated projectile fluence extends to 5 × 10¹⁵ cm⁻², and the mean value of the sputter depth, z, amounts to 8 Cu(1 0 0) monolayers (ML) or 15 Å. The simulations directly supply progressive layer erosion profiles (curves that depict the extent of sputter erosion of each atomic layer vs. total sputter depth). A fitting method is then used to extract smooth depth profiles for each atomic layer from these predicted erosion profiles. The depth profile characteristics (height, width, shift) for the first 10 layers of the target show a pronounced dependence on layer depth.     

Instantaneous velocity profiles during granular avalanches

We perform experimental measurements of the instantaneous velocity profile of the flowing layer during granular avalanches. In the pile depth, the velocity profile follows a pure exponential decrease in contrast with steady flows that are known to exhibit a well developed upper linear part. The velocity profile in the pile width is a plug flow with two exponential boundary layers at the walls. Even though no steady state is observed during the avalanche, these velocity profiles are self-similar and build up almost instantaneously, with time independent characteristic lengths.     

X-ray diffraction line-profile analysis of hexagonal ϵ -iron nitride compound layers: composition–and stress–depth profiles

Two hexagonal ε-Fe₃N_{1+ x} layers grown on α-Fe substrates by nitriding in NH₃/H₂ gas atmospheres were investigated by high-resolution X-ray powder diffraction using synchrotron radiation employing systematic tilting of the diffraction vector with respect to the specimen surface. Considering all recorded reflections simultaneously, the complicated diffraction profiles obtained were analyzed using a model incorporating hkl-dependent (anisotropic) and tilt angle (ψ)-dependent diffraction-line broadening and diffraction-line shifting. The diffraction-line broadening is mainly ascribed to the nitrogen concentration–depth profile within the layers causing depth-dependent strain-free lattice parameters, whereas the line shifts are predominantly caused by the stress–depth profile originating from the concentration-dependence of the coefficients of thermal expansion of the ε phase, with stress parallel to the surface, which is of tensile nature at the surface and of compressive nature at the ε/γ′ interface. This stress gradient additionally leads to a ψ dependence of the line broadening. Fitting of the microstructure and diffraction model led to determination of microstructure parameters, which can be related to the different sets of treatment conditions applied for the ε-iron nitride layer growth.     

Confocal Raman microscopy: how to correct depth profiles considering diffraction and refraction effects

A new approach to obtain corrected depth profiles by confocal Raman microscopy, which considers diffraction and refraction effects is presented. The problem of diffraction effects encountered intrinsically in the confocal configuration can be described using a linear Fredholm integral equation of the first kind, which correlates apparent and true Raman intensities with the depth resolution curve of the instrument. Refractive index differences between air and the polymer sample, which cause further errors in the obtained depth profile due to strong aberration effects have been considered. This has been carried out using an empirical variation of the depth resolution function, which is able to simulate the broadening of the depth of focus with depth and also the discrepancy between nominal and measured depth scales. It is shown that considerable differences between apparent and corrected depth profiles exist at the surface and that these depend on the gradient of the profile and the depth resolution of the Raman microscope. Copyright © 2007 John Wiley & Sons, Ltd.     

X-ray line profiles analysis of plastically deformed metals

The theoretical basis of X-ray line profile analysis and its application to microstructural characterization of plastically deformed metallic alloys is presented. The microstructure is described in terms of coherent domain size, planar fault density, dislocation density and a dislocation arrangement parameter. Two evaluation methods are introduced: the momentum method and the extended Convolutional Multiple Whole Profile fit procedure. Their use is exemplified on plastically deformed single crystals, single grains residing in the bulk of a polycrystal and family of grains making up texture components. The selected examples show the potential of X-ray line profile analysis applied to diffraction patterns recorded with laboratory or synchrotron sources.     

Temperature,roughness and depth resolution in ion sputter profiles

The depth resolutions of evaporated silver layers on polished polycrystalline copper substrates are studied at various temperatures during argon ion sputtemg with AES. A detailed analysis of the profile shape at the interface reveals the nature of contributions to the terms governing interface resolution. The profiles are all accurately described by an error function leading edge followed by an exponential trailing edge. The characteristic of the trailing edge is governed by the development of roughness which depends on the depth, z, sputtered as z^0.875. The roughness is reduced at elevated temperatures by the action of surface diffusion such that the maximum reduction occurs at the highest temperature and the lowest sputtering rate. The characteristic of the leading edge is composed of three terms added in quadrature, (i) defect-enhanced diffusion of copper into the silver film, (ii) roughness as above, and (iii) a constant term due to film nucleation. In the present samples the increased interdiffusion at elevated temperatures and low sputtering rates largely offsets the improvements in topography so that, overall, the depth resolution appears to be a very weak function of temperature. However, in other systems where interdiffusion is small, the resolution could be greatly enhanced.     

激光雷达测量大气湍流廓线

 介绍了一种利用成像激光光斑测量大气湍流廓线的激光雷达原理。通过对分层大气湍流的光束波面变化的测量,获取各分层大气湍流的相干长度,据此利用平面波近似算法反演湍流强度廓线。通过搭建的大气湍流廓线激光雷达实验系统获得了湍流廓线的实验数据,并且与系留飞艇搭载的温度脉动仪在同时段固定高度进行了对比实验,验证了近似递推算法的可行性。最后对实验中出现的误差进行了讨论。     

Auger electron spectroscopy investigation of sputter induced altered layers in SiC by low energy sputter depth profiling and factor analysis

The thickness of the altered layer created by ion bombardment of the 6H–SiC single crystal was determined by means of Auger electron spectroscopy (AES) depth profiling in conjunction with factor analysis. After pre-bombardment of the surface by argon ions with energies 1, 2 and 4 keV until the steady state, the depth profiles of the induced altered layers were recorded by sputtering with low energy argon ions of 300 eV. Since the position and shape of the carbon Auger peak depend on the perfection of the crystalline structure, they were used for depth profile evaluation by factor analysis. In this way the depth profiles of the damaged surface region could be estimated in dependence on the ion energy. As a result, the thickness of the altered layer of SiC bombarded with 1, 2 and 4 keV Ar ions using an incident angle of 80° as well as the corresponding argon implantation profile could be measured.     

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.     

Structural and optical characterization of GaN heteroepitaxial films on SiC substrates

We have estimated the threading dislocation density and type via X-ray diffraction and Williamson-Hall analysis to elicit qualitative information directly related to the electrical and optical quality of GaN epitaxial layers grown by PAMBE on 4H- and 6H-SiC substrates. The substrate surface preparation and buffer choice, specifically: Ga flashing for SiC oxide removal, controlled nitridation of SiC, and use of AlN buffer layers all impact the resultant screw dislocation density, but do not significantly influence the edge dislocation density. We show that modification of the substrate surface strongly affects the screw dislocation density, presumably due to impact on nucleation during the initial stages of heteroepitaxy.     

Quantitative depth distribution of dislocations by planar channeling

Planar channeling analysis with MeV He backscattering is shown to give depth profile of the dislocation density with advantages over axial channeling analysis due to the larger dechanneling cross section of dislocations for planar channeling.     

Defect profiles in graded band-gap layers of <Emphasis Type="Italic">P</Emphasis>-HgCdTe heteroepitaxial structures under ion-beam etching

The results of investigations into spatial distribution of donors in p-HgCdTe graded band-gap layers with various composition profiles in the near-surface layer upon ion-beam etching are reported. It is found that the depth of the resulting n⁺-layer is weakly dependent on the conditions of ion-beam etching and composition of material of the surface and is about 0.5–1 μm. The electron density in the n⁺-layer on the surface is observed to increase with time of beam etching. It is shown that the conditions of ion-beam etching and the composition of the near-surface region significantly affect only the depth of the foregoing layer with low electron density. Analysis of experimental data shows that the process of ion-bean etching in p-HgCdTe heteroepitaxial structures with a composition gradient in the near-surface region is different from etching in HgCdTe homogeneous epitaxial structures and crystals. Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 9, pp. 51–56, September, 2008.     

Optical properties of chiral photonic crystals with linear profiles of modulation parameters

The oblique propagation of light through a layer of chiral photonic crystal (PC) with linear profiles of modulation parameters is considered. The problem is solved by the method of Ambartsumyan layer addition. The wavelength dependences of the amplitude characteristics have been studied at different angles of incidence in two cases, i.e., in a chiral PC with a linear profile of modulation period and a chiral PC with a linear profile of modulation depth. It is shown that the photonic band gap is broadened in both cases and that omnidirectional reflection occurs under certain conditions. The nonreciprocity features are investigated for these two cases and it is shown that a chiral PC with a linear profile of modulation period can operate as an ideal optical diode in a certain frequency range. The features of the effect of change in the modulation parameters on the photon density of states, group velocity, and group velocity dispersion are analyzed. It is shown that, when the modulation parameters change in space, the photon density of states at the photonic band gap edges significantly decreases. It is proposed to use PCs with a spatially changing modulation period can be used to compress (expand) light pulses.     

Peculiarities of dislocation structure at surface of deformed crystals

An experimental study of the distribution of edge and screw dislocation components in deformed LiF crystals at external surface parallel to Burgers vector of mobile dislocations was performed. At the surface we observed a layer with low density of edge and screw dislocations compared to the dislocation density in the bulk. The thickness of this layer was tens of microns. The experimental results are explained on the basis of analysis of dislocation structure evolution at surface layers during the plastic deformation.     

Depth profile reconstruction of the thermal conductivity of inhomogeneous solids: application to laser-hardened Al alloys

Photoacoustic measurement techniques can be used to determine thermal properties on and below the sample’s surface, thus subsurface thermal inhomogeneities, such as continuous profiles of thermal parameters, become measurable by photoacoustic methods. In this paper, the study is focused on the quantitative characterization of material modifications in subsurface layers of laser-hardened Al alloy samples. The variation of surface temperature is measured by PA technique. Then a new numerical algorithm, carried out by employing the pulsed spectrum technique and the regularization method, is used to reconstruct thermal conductivity depth profiles. The experiment results demonstrate that the experiment and the algorithm are very effective for microstructure depth profile reconstruction by nondestructive method. Received: 18 February 2000 / Accepted: 28 February 2000 / Published online: 30 June 2000     

Shaping the Sensitive Volume of a Single-Sided NMR-Sensor to Profile Cylindrical Samples with High Resolution

This work reports the construction of a single-sided magnet generating a sensitive volume with adjustable curvature. It is useful to profile cylindrical samples with high depth resolution. The sensor geometry is based on the Profile NMR-MOUSE, which generates a parabolic field profile with a quadratic coefficient that decreases with the distance from the magnet surface. Such field profiles approximate cylinder walls within limited angular range with negligible deviation. Then, by varying the working depth, shells of different diameter in the sample can be matched. Simulation and experiments conducted on phantoms confirm that a depth resolution of about 35 μm can be obtained. The sensor was used to profile the structure of a cylindric air spring bellows with high resolution. Besides resolving the fiber layers used to reinforce the rubber matrix, the ingress of hexane was detected via T ₂ changes of the material.     

Boron implantations in silicon: A comparison of charge carrier and boron concentration profiles

The concentration profiles of boron implanted in silicon were measured using secondary ion mass spectrometry. The accompanying charge carrier profiles were determined by Hall-effect sheet-resistivity measurements combined with layer removal by anodic oxidation and etching. From a mutual comparison of these profiles an electrically inactive boron fraction was found to exist in the region of maximum boron concentration. This fraction can be correlated with boron precipitates. In high dose implantations the precipitates still exist after annealing at 1000°C. In the tail of the profile a small electrically inactive boron fraction was observed. This fraction was correlated with fast diffusing non-substitutional boron. Near the surface a charge carrier peak was found that can be correlated with the damage caused by implantation. The interpretation of the observed electrical effects was facilitated by investigations on boron concentration profiles of layers implanted with different doses and annealed in accordance with different time-temperature schedules.     

半绝缘砷化镓单晶中碳微区分布的研究

通过AB腐蚀（由Abrahams和Buiocchi发明的腐蚀方法，简称AB腐蚀）、KOH腐蚀，经金相显微镜观察、透射电子显微镜能谱分析、电子探针x射线微区分析，对液封直拉法生长的非掺 半绝缘砷化镓单晶中碳的微区分布进行了分析研究.实验结果表明，碳的微区分布受单晶中 高密度位错网络结构的影响.高密度位错区，位错形成较小的胞状结构，且胞内不存在孤立 位错，碳在单个胞内呈U型分布；较低密度位错区，胞状结构直径较大，且胞内存在孤立位 错，碳在单个胞内呈W型分布. 关键词： 半绝缘砷化镓 胞状位错 碳受主     

Density profiles in tokamaks from electron cyclotron radiation spectra

Measurement of the line shape of optically thick and optically thin lines in the electron cyclotron radiation spectrum emitted by a tokamak plasma may yield both electron temperature and density profiles. Currently temperature profiles are routinely extracted from optically thick lines. Consequently, this paper is addressed to the density profile problem. Algorithms for extracting density profiles are outlined in the case of uncontrolled reflection and controlled reflection of the cyclotron radiation within the tokamak vacuum chamber.     

Inverse method for determining the depth of nonhomogeneous surface layers in elastic solids from the measurements of the dispersion curves of group velocity of surface SH Waves

In this paper, the variational inverse method for determining the depth of nonhomogeneous surface layers in elastic materials, from the measurements of the group velocity of surface shear horizontal (SH) waves, is developed. The direct problem for a given a priori type of profile of the coefficientc44in(x) (e.g. linear, Gaussian, etc.) is solved. The dispersion curves of phase and group velocity of surface SH waves in nonhomogeneous solids are calculated. Experimental verification of the inverse method has been performed for step profiles (structure of Cu on steel). It is stated that the inverse method based on the measurements of group velocity (for step profile) gives a smaller error in the unknown depth of the surface layer than that resulting from the inverse method based on the measurements of phase velocity of surface SH waves.