Influence of the crosstalk on the intensity of HAADF-STEM images of quaternary semiconductor materials.

The influence of the neighbouring atomic-columns in determining the composition at atomic column scale of quaternary semiconductor compounds, using simulated HAADF-STEM images is evaluated. The InAlAsSb alloy, a promising material in the photovoltaic field, is considered. We find that the so called 'crosstalk' effect plays an important role for the aimed compositional determination. The intensity transfer is larger from neighbouring atomic columns with higher average Z, and towards atomic columns with smaller Z. Our results show that in order to obtain precise information on the column composition, the HAADF-STEM intensities of both columns need to be taken into account simultaneously.

HAADF-STEM Image Resolution Enhancement Using High-Quality Image Reconstruction Techniques: Case of the Fe3O4(111) Surface.

From simple averaging to more sophisticated registration and restoration strategies, such as super-resolution (SR), there exist different computational techniques that use a series of images of the same object to generate enhanced images where noise and other distortions have been reduced. In this work, we provide qualitative and quantitative measurements of this enhancement for high-angle annular dark-field scanning transmission electron microscopy imaging. These images are compared in two ways, qualitatively through visual inspection in real and reciprocal space, and quantitatively, through the calculation of objective measurements, such as signal-to-noise ratio and atom column roundness. Results show that these techniques improve the quality of the images. In this paper, we use an SR methodology that allows us to take advantage of the information present in the image frames and to reliably facilitate the analysis of more difficult regions of interest in experimental images, such as surfaces and interfaces. By acquiring a series of cross-sectional experimental images of magnetite (Fe3O4) thin films (111), we have generated interpolated images using averaging and SR, and reconstructed the atomic structure of the very top surface layer that consists of a full monolayer of Fe, with topmost Fe atoms in tetrahedrally coordinated sites.

Strain mapping accuracy improvement using super-resolution techniques.

Super-resolution (SR) software-based techniques aim at generating a final image by combining several noisy frames with lower resolution from the same scene. A comparative study on high-resolution high-angle annular dark field images of InAs/GaAs QDs has been carried out in order to evaluate the performance of the SR technique. The obtained SR images present enhanced resolution and higher signal-to-noise (SNR) ratio and sharpness regarding the experimental images. In addition, SR is also applied in the field of strain analysis using digital image processing applications such as geometrical phase analysis and peak pairs analysis. The precision of the strain mappings can be improved when SR methodologies are applied to experimental images.

Direct observation of depth-dependent atomic displacements associated with dislocations in gallium nitride.

We demonstrate that the aberration-corrected scanning transmission electron microscope has a sufficiently small depth of field to observe depth-dependent atomic displacements in a crystal. The depth-dependent displacements associated with the Eshelby twist of dislocations in GaN normal to the foil with a screw component of the Burgers vector are directly imaged. We show that these displacements are observed as a rotation of the lattice between images taken in a focal series. From the sense of the rotation, the sign of the screw component can be determined.

Morphological evolution of InAs/InP quantum wires through aberration-corrected scanning transmission electron microscopy.

Evolution of the size, shape and composition of self-assembled InAs/InP quantum wires through the Stranski-Krastanov transition has been determined by aberration-corrected Z-contrast imaging. High resolution compositional maps of the wires in the initial, intermediate and final formation stages are presented. (001) is the main facet at their very initial stage of formation, which is gradually reduced in favour of [114] or [118], ending with the formation of mature quantum wires with {114} facets. Significant changes in wire dimensions are measured when varying slightly the amount of InAs deposited. These results are used as input parameters to build three-dimensional models that allow calculation of the strain energy during the quantum wire formation process. The observed morphological evolution is explained in terms of the calculated elastic energy changes at the growth front. Regions of the wetting layer close to the nanostructure perimeters have higher strain energy, causing migration of As atoms towards the quantum wire terraces, where the structure is partially relaxed; the thickness of the wetting layer is reduced in these zones and the island height increases until the (001) facet is removed.

Column-by-column compositional mapping by Z-contrast imaging.

A phenomenological method is developed to determine the composition of materials, with atomic column resolution, by analysis of integrated intensities of aberration-corrected Z-contrast scanning transmission electron microscopy images. The method is exemplified for InAs(x)P(1-x) alloys using epitaxial thin films with calibrated compositions as standards. Using this approach we have determined the composition of the two-dimensional wetting layer formed between self-assembled InAs quantum wires on InP(001) substrates.

Prediction of CO maximum ground level concentrations in the Bay of Algeciras, Spain using artificial neural networks.

The region of the Bay of Algeciras is a very industrialized area where very few air pollution studies have been carried out. The main objective of this work has been the use of artificial neural networks (ANNs) as a predictive tool of high levels of ambient carbon monoxide (CO). Two approaches have been used: multilayer perceptron models (MLPs) with backpropagation learning rule and k-Nearest Neighbours (k-nn) classifiers, in order to predict future peaks of carbon monoxide. A resampling strategy with twofold cross-validation allowed the statistical comparison of the different topologies and models considered in the study. The procedure of random resampling permits an adequate and robust multiple comparisons of the tested models and allow us to select a group of best models.

Correcting sample drift using Fourier harmonics.

During image acquisition of crystalline materials by high-resolution scanning transmission electron microscopy, the sample drift could lead to distortions and shears that hinder their quantitative analysis and characterization. In order to measure and correct this effect, several authors have proposed different methodologies making use of series of images. In this work, we introduce a methodology to determine the drift angle via Fourier analysis by using a single image based on the measurements between the angles of the second Fourier harmonics in different quadrants. Two different approaches, that are independent of the angle of acquisition of the image, are evaluated. In addition, our results demonstrate that the determination of the drift angle is more accurate by using the measurements of non-consecutive quadrants when the angle of acquisition is an odd multiple of 45°.

Evaluation of high-quality image reconstruction techniques applied to high-resolution Z-contrast imaging.

High-quality image reconstruction techniques allow the generation of high pixel density images from a set of low-resolution micrographs. In general, these techniques consist of two main steps, namely, accurate registration, and formulation of an appropriate forward image model via some restoration method. There exist a wide variety of algorithms to cope with both stages and depending on their practical applications, some methods can outperform others, since they can be sensitive to the assumed data model, noise, drift, etc. When dealing with images generated by Z-contrast scanning transmission electron microscopes, a current trend is based on non-rigid approximations in the registration stage. In our work we aimed at reaching similar accuracy but addressing the most complex calculations in the reconstruction stage, instead of in the registration stage (as the non-rigid approaches do), but using a much smaller number of images. We review some of the most significant methods and address their shortcomings when they are applied to the field of microscopy. Simulated images with known targets will be used to evaluate and compare the main approaches in terms of quality enhancement and computing time. In addition, a procedure to determine the reference image will be proposed to minimise the global drift on the series. The best registration and restoration strategies will be applied to experimental images in order to point up the enhanced capability of this high quality image reconstruction methodology in this field.

An approach to the systematic distortion correction in aberration-corrected HAADF images.

Systematic distortion has been analysed in high-angle annular dark-field (HAADF) images which may be caused by electrical interference. Strain mapping techniques have been applied to a strain-free GaAs substrate in order to provide a broad analysis of the influence of this distortion on the determination of local strain in the heterostructure. We have developed a methodology for estimating the systematic distortion, and we correct the original images by using an algorithm that removes this systematic distortion.

Determination of the strain generated in InAs/InP quantum wires: prediction of nucleation sites.

The compositional distribution in a self-assembled InAs(P) quantum wire grown by molecular beam epitaxy on an InP(001) substrate has been determined by electron energy loss spectrum imaging. We have determined the strain and stress fields generated in and around this wire capped with a 5 nm InP layer by finite element calculations using as input the compositional map experimentally obtained. Preferential sites for nucleation of wires grown on the surface of this InP capping layer are predicted, based on chemical potential minimization, from the determined strain and stress fields on this surface. The determined preferential sites for wire nucleation agree with their experimentally measured locations. The method used in this paper, which combines electron energy loss spectroscopy, high-resolution Z contrast imaging, and elastic theory finite element calculations, is believed to be a valuable technique of wide applicability for predicting the preferential nucleation sites of epitaxial self-assembled nano-objects.