“An accurate parameterization for scattering factors, electron densities and electrostatic potentials for neutral atoms that obey all physical constraints”. Lobato Hoyos IP, van Dyck D, Acta crystallographica: section A: foundations of crystallography 70, 636 (2014). http://doi.org/10.1107/S205327331401643X
Abstract: An efficient procedure and computer program are outlined for fitting numerical X-ray and electron scattering factors with the correct inclusion of all physical constraints. The numerical electron scattering factors have been parameterized using five analytic non-relativistic hydrogen electron scattering factors as basis functions for 103 neutral atoms of the periodic table. The inclusion of the correct physical constraints in the electron scattering factor and its derived quantities allows the use of the new parameterization in different fields. In terms of quality of the fit, the proposed parameterization of the electron scattering factor is one order of magnitude better than the previous analytic fittings.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
Impact Factor: 5.725
Times cited: 19
DOI: 10.1107/S205327331401643X
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“Advanced electron crystallography through model-based imaging”. Van Aert S, De Backer A, Martinez GT, den Dekker AJ, Van Dyck D, Bals S, Van Tendeloo G, IUCrJ 3, 71 (2016). http://doi.org/10.1107/S2052252515019727
Abstract: The increasing need for precise determination of the atomic arrangement of non-periodic structures in materials design and the control of nanostructures explains the growing interest in quantitative transmission electron microscopy. The aim is to extract precise and accurate numbers for unknown structure parameters including atomic positions, chemical concentrations and atomic numbers. For this purpose, statistical parameter estimation theory has been shown to provide reliable results. In this theory, observations are considered purely as data planes, from which structure parameters have to be determined using a parametric model describing the images. As such, the positions of atom columns can be measured with a precision of the order of a few picometres, even though the resolution of the electron microscope is still one or two orders of magnitude larger. Moreover, small differences in average atomic number, which cannot be distinguished visually, can be quantified using high-angle annular dark-field scanning transmission electron microscopy images. In addition, this theory allows one to measure compositional changes at interfaces, to count atoms with single-atom sensitivity, and to reconstruct atomic structures in three dimensions. This feature article brings the reader up to date, summarizing the underlying theory and highlighting some of the recent applications of quantitative model-based transmisson electron microscopy.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab; Engineering Management (ENM)
Impact Factor: 5.793
Times cited: 30
DOI: 10.1107/S2052252515019727
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“Hollow Cone Electron Imaging for Single Particle 3D Reconstruction of Proteins”. Tsai C-Y, Chang Y-C, Lobato I, Van Dyck D, Chen F-R, Scientific reports 6, 27701 (2016). http://doi.org/10.1038/srep27701
Abstract: The main bottlenecks for high-resolution biological imaging in electron microscopy are radiation sensitivity and low contrast. The phase contrast at low spatial frequencies can be enhanced by using a large defocus but this strongly reduces the resolution. Recently, phase plates have been developed to enhance the contrast at small defocus but electrical charging remains a problem. Single particle cryo-electron microscopy is mostly used to minimize the radiation damage and to enhance the resolution of the 3D reconstructions but it requires averaging images of a massive number of individual particles. Here we present a new route to achieve the same goals by hollow cone dark field imaging using thermal diffuse scattered electrons giving about a 4 times contrast increase as compared to bright field imaging. We demonstrate the 3D reconstruction of a stained GroEL particle can yield about 13.5 A resolution but using a strongly reduced number of images.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
Impact Factor: 4.259
DOI: 10.1038/srep27701
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“Atomic resolution electron tomography: a dream?”.van Dyck D, Van Aert S, Croitoru M, International journal of materials research 97, 872 (2006). http://doi.org/10.3139/146.101314
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT); Vision lab
Impact Factor: 0.681
Times cited: 6
DOI: 10.3139/146.101314
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“Ni cluster formation in low temperature annealed Ni50.6Ti49.4”. Pourbabak S, Wang X, Van Dyck D, Verlinden B, Schryvers D, Functional materials letters 10, 1740005 (2017). http://doi.org/10.1142/S1793604717400057
Abstract: Various low temperature treatments of Ni50.6Ti49.4 have shown an unexpected effect on the martensitic start temperature. Periodic diffuse intensity distributions in reciprocal space indicate the formation of short pure Ni strings along the <111> directions in the B2 ordered lattice, precursing the formation of Ni4Ti3 precipitates formed at higher annealing temperatures.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
Impact Factor: 1.234
Times cited: 4
DOI: 10.1142/S1793604717400057
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“Artifact Reduction Based on Sinogram Interpolation for the 3D Reconstruction of Nanoparticles Using Electron Tomography”. Sentosun K, Lobato I, Bladt E, Zhang Y, Palenstijn WJ, Batenburg KJ, Van Dyck D, Bals S, Particle and particle systems characterization 34, 1700287 (2017). http://doi.org/10.1002/ppsc.201700287
Abstract: Electron tomography is a well-known technique providing a 3D characterization of the morphology and chemical composition of nanoparticles. However, several reasons hamper the acquisition of tilt series with a large number of projection images, which deteriorate the quality of the 3D reconstruction. Here, an inpainting method that is based on sinogram interpolation is proposed, which enables one to reduce artifacts in the reconstruction related to a limited tilt series of projection images. The advantages of the approach will be demonstrated for the 3D characterization of nanoparticles using phantoms and several case studies.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Vision lab
Times cited: 2
DOI: 10.1002/ppsc.201700287
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“Atomic resolution mapping using quantitative high-angle annular dark field scanning transmission electron microscopy”. Van Aert S, Verbeeck J, Bals S, Erni R, van Dyck D, Van Tendeloo G, Microscopy and microanalysis 15, 464 (2009). http://doi.org/10.1017/S1431927609093957
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
Impact Factor: 1.891
Times cited: 1
DOI: 10.1017/S1431927609093957
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“Fully automated measurement of the modulation transfer function of charge-coupled devices above the Nyquist frequency”. van den Broek W, Van Aert S, van Dyck D, Microscopy and microanalysis 18, 336 (2012). http://doi.org/10.1017/S1431927611012633
Abstract: The charge-coupled devices used in electron microscopy are coated with a scintillating crystal that gives rise to a severe modulation transfer function (MTF). Exact knowledge of the MTF is imperative for a good correspondence between image simulation and experiment. We present a practical method to measure the MTF above the Nyquist frequency from the beam blocker's shadow image. The image processing has been fully automated and the program is made public. The method is successfully tested on three cameras with various beam blocker shapes.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
Impact Factor: 1.891
Times cited: 15
DOI: 10.1017/S1431927611012633
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“Physical limits on atomic resolution”. van Dyck D, Van Aert S, den Dekker AJ, Microscopy and microanalysis 10, 153 (2004). http://doi.org/10.1017/S143192760404036X
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
Impact Factor: 1.891
Times cited: 14
DOI: 10.1017/S143192760404036X
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“Do smaller probes in a scanning transmission electron microscope result in more precise measurement of the distances between atom columns?”.Van Aert S, van Dyck D, Philosophical magazine: B: physics of condensed matter: electronic, optical and magnetic properties 81, 1833 (2001). http://doi.org/10.1080/13642810108223121
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
Times cited: 11
DOI: 10.1080/13642810108223121
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“Resolution of coherent and incoherent imaging systems reconsidered: classical criteria and a statistical alternative”. Van Aert S, van Dyck D, den Dekker AJ, Optics express 14, 3830 (2006). http://doi.org/10.1364/OE.14.003830
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
Impact Factor: 3.307
Times cited: 45
DOI: 10.1364/OE.14.003830
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“Statistical experimental design for quantitative atomic resolution transmission electron microscopy”. Van Aert S, den Dekker AJ, van den Bos A, van Dyck D Academic Press, San Diego, Calif., page 1 (2004).
Keywords: H1 Book chapter; Electron microscopy for materials research (EMAT); Vision lab
Times cited: 13
DOI: 10.1016/S1076-5670(04)30001-7
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“High-resolution electron microscopy and electron tomography: resolution versus precision”. Van Aert S, den Dekker AJ, van Dyck D, van den Bos A, Journal of structural biology 138, 21 (2002). http://doi.org/10.1016/S1047-8477(02)00016-3
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
Impact Factor: 2.767
Times cited: 33
DOI: 10.1016/S1047-8477(02)00016-3
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“Do you believe that atoms stay in place when you observe them in HREM?”.van Dyck D, Lobato I, Chen F-R, Kisielowski C, Micron 68, 158 (2015). http://doi.org/10.1016/j.micron.2014.09.003
Abstract: Recent advancements in aberration-corrected electron microscopy allow for an evaluation of unexpectedly large atom displacements beyond a resolution limit of similar to 0.5 angstrom, which are found to be dose-rate dependent in high resolution images. In this paper we outline a consistent description of the electron scattering process, which explains these unexpected phenomena. Our approach links thermal diffuse scattering to electron beam-induced object excitation and relaxation processes, which strongly contribute to the image formation process. The effect can provide an explanation for the well-known contrast mismatch (“Stobbs factor”) between image calculations and experiments. (C) 2014 Elsevier Ltd. All rights reserved.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
Impact Factor: 1.98
Times cited: 11
DOI: 10.1016/j.micron.2014.09.003
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“How to optimize the experimental design of quantitative atomic resolution TEM experiments?”.Van Aert S, den Dekker AJ, van Dyck D, Micron 35, 425 (2004). http://doi.org/10.1016/j.micron.2004.01.007
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
Impact Factor: 1.98
Times cited: 14
DOI: 10.1016/j.micron.2004.01.007
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“Imaging from atomic structure to electronic structure”. Xu Q, Zandbergen HW, van Dyck D, Micron 43, 524 (2012). http://doi.org/10.1016/j.micron.2011.10.024
Abstract: This paper discusses the possibility of retrieving the electron distribution (with highlighted valence electron distribution information) of materials from recorded HREM images. This process can be achieved by solving two inverse problems: reconstruction of the exit wave and reconstruction of the electron distribution from exit waves. The first inverse problem can be solved using a focal series reconstruction method. We show that the second inverse problem can be solved by combining a series of exit waves recorded at different thickness conditions. This process is designed based on an improved understanding of the dynamical scattering process. It also explains the fundamental difficulty of obtaining the valence electron distribution information and the basis of our solution.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
Impact Factor: 1.98
DOI: 10.1016/j.micron.2011.10.024
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“Model-based electron microscopy : from images toward precise numbers for unknown structure parameters”. Van Aert S, van den Broek W, Goos P, van Dyck D, Micron 43, 509 (2012). http://doi.org/10.1016/j.micron.2011.10.019
Abstract: Statistical parameter estimation theory is proposed as a method to quantify electron microscopy images. It aims at obtaining precise and accurate values for the unknown structure parameters including, for example, atomic column positions and types. In this theory, observations are purely considered as data planes, from which structure parameters have to be determined using a parametric model describing the images. The method enables us to measure positions of atomic columns with a precision of the order of a few picometers even though the resolution of the electron microscope is one or two orders of magnitude larger. Moreover, small differences in averaged atomic number, which cannot be distinguished visually, can be quantified using high-angle annular dark field scanning transmission electron microscopy images. Finally, it is shown how to optimize the experimental design so as to attain the highest precision. As an example, the optimization of the probe size for nanoparticle radius measurements is considered. It is also shown how to quantitatively balance signal-to-noise ratio and resolution by adjusting the probe size.
Keywords: A1 Journal article; Engineering Management (ENM); Electron microscopy for materials research (EMAT); Vision lab
Impact Factor: 1.98
Times cited: 7
DOI: 10.1016/j.micron.2011.10.019
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“Advanced electron microscopy for advanced materials”. Van Tendeloo G, Bals S, Van Aert S, Verbeeck J, van Dyck D, Advanced materials 24, 5655 (2012). http://doi.org/10.1002/adma.201202107
Abstract: The idea of this Review is to introduce newly developed possibilities of advanced electron microscopy to the materials science community. Over the last decade, electron microscopy has evolved into a full analytical tool, able to provide atomic scale information on the position, nature, and even the valency atoms. This information is classically obtained in two dimensions (2D), but can now also be obtained in 3D. We show examples of applications in the field of nanoparticles and interfaces.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Vision lab
Impact Factor: 19.791
Times cited: 107
DOI: 10.1002/adma.201202107
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“Structural characterization of Nb-TiO2 nanosized thick-films for gas sensing application”. Ferroni M, Carotta MC, Guidi V, Martinelli G, Ronconi F, Richard O, van Dyck D, van Landuyt J, Sensors and actuators : B : chemical 68, 140 (2000). http://doi.org/10.1016/S0925-4005(00)00474-3
Abstract: Pure and Nb-doped TiO2 thick-films were prepared by screen-printing, starting from nanosized powders. Grain growth and crystalline phase modification occurred as consequence of firing at high temperature. It has been shown that niobium addition inhibits grain coarsening and hinders anatase-to-rutile phase transition. These semiconducting films exhibited n-type behavior, while Nb acted as donor-dopant. Gas measurements demonstrated that the films are suitable for CO or NO2 sensing. Microstructural characterization by electron microscopy and differential thermal analysis (DTA) highlights the dependence of gas-sensing behavior on film's properties. (C) 2000 Elsevier Science S.A. All rights reserved.
Keywords: P1 Proceeding; Electron microscopy for materials research (EMAT); Vision lab
Impact Factor: 5.401
Times cited: 51
DOI: 10.1016/S0925-4005(00)00474-3
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“Up close: Center for Electron Microscopy of Materials Science at the University of Antwerp”. Van Tendeloo G, Schryvers D, van Dyck D, van Landuyt J, Amelinckx S, MRS bulletin , 57 (1994)
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
Impact Factor: 5.667
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“Enamels in stained glass windows: preparation, chemical composition, microstructure and causes of deterioration”. Schalm O, van der Linden V, Frederickx P, Luyten S, van der Snickt G, Caen J, Schryvers D, Janssens K, Cornelis E, van Dyck D, Schreiner M, Spectrochimica acta: part B : atomic spectroscopy 64, 812 (2009). http://doi.org/10.1016/j.sab.2009.06.005
Abstract: Stained glass windows incorporating dark blue and purple enamel paint layers are in some cases subject to severe degradation while others from the same period survived the ravages of time. A series of dark blue, greenblue and purple enamel glass paints from the same region (Northwestern Europe) and from the same period (16early 20th centuries) has been studied by means of a combination of microscopic X-ray fluorescence analysis, electron probe micro analysis and transmission electron microscopy with the aim of better understanding the causes of the degradation. The chemical composition of the enamels diverges from the average chemical composition of window glass. Some of the compositions appear to be unstable, for example those with a high concentration of K2O and a low content of CaO and PbO. In other cases, the deterioration of the paint layers was caused by the less than optimal vitrification of the enamel during the firing process. Recipes and chemical compositions indicate that glassmakers of the 1617th century had full control over the color of the enamel glass paints they made. They mainly used three types of coloring agents, based on Co (dark blue), Mn (purple) and Cu (light-blue or greenblue) as coloring elements. Bluepurple enamel paints were obtained by mixing two different coloring agents. The coloring agent for redpurple enamel, introduced during the 19th century, was colloidal gold embedded in grains of lead glass.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Vision lab
Impact Factor: 3.241
Times cited: 28
DOI: 10.1016/j.sab.2009.06.005
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“Energy-filtered transmission electron microscopy: an overview”. Verbeeck J, van Dyck D, Van Tendeloo G, Spectrochimica acta: part B : atomic spectroscopy 59, 1529 (2004). http://doi.org/10.1016/j.sab.2004.03.020
Abstract: This paper aims to give an overview of the technique of energy-filtered transmission electron microscopy (EFTEM). It explains the basic principles of the technique and points to the relevant literature for more detailed issues. Experimental examples are given to show the power of EFTEM to study the chemical composition of nanoscale samples in materials science. Advanced EFTEM applications like imaging spectroscopy and EFTEM tomography are briefly discussed. (C) 2004 Elsevier B.V. All rights reserved.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
Impact Factor: 3.241
Times cited: 37
DOI: 10.1016/j.sab.2004.03.020
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“An alternative approach to determine attainable resolution directly from HREM images”. Wang A, Turner S, Van Aert S, van Dyck D, Ultramicroscopy 133, 50 (2013). http://doi.org/10.1016/j.ultramic.2013.05.008
Abstract: The concept of resolution in high-resolution electron microscopy (HREM) is the power to resolve neighboring atoms. Since the resolution is related to the width of the point spread function of the microscope, it could in principle be determined from the image of a point object. However, in electron microscopy there are no ideal point objects. The smallest object is an individual atom. If the width of an atom is much smaller than the resolution of the microscope, this atom can still be considered as a point object. As the resolution of the microscope enters the sub-Å regime, information about the microscope is strongly entangled with the information about the atoms in HREM images. Therefore, we need to find an alternative method to determine the resolution in an object-independent way. In this work we propose to use the image wave of a crystalline object in zone axis orientation. Under this condition, the atoms of a column act as small lenses so that the electron beam channels through the atom column periodically. Because of this focusing, the image wave of the column can be much more peaked than the constituting atoms and can thus be a much more sensitive probe to measure the resolution. Our approach is to use the peakiness of the image wave of the atom column to determine the resolution. We will show that the resolution can be directly linked to the total curvature of the atom column wave. Moreover, we can then directly obtain the resolution of the microscope given that the contribution from the object is known, which is related to the bounding energy of the atom. The method is applied on an experimental CaTiO3 image wave.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
Impact Factor: 2.843
DOI: 10.1016/j.ultramic.2013.05.008
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“Applying an information transmission approach to extract valence electron information from reconstructed exit waves”. Xu Q, Zandbergen HW, van Dyck D, Ultramicroscopy 111, 912 (2011). http://doi.org/10.1016/j.ultramic.2011.01.032
Abstract: The knowledge of the valence electron distribution is essential for understanding the properties of materials. However this information is difficult to obtain from HREM images because it is easily obscured by the large scattering contribution of core electrons and by the strong dynamical scattering process. In order to develop a sensitive method to extract the information of valence electrons, we have used an information transmission approach to describe the electron interaction with the object. The scattered electron wave is decomposed in a set of basic functions, which are the eigen functions of the Hamiltonian of the projected electrostatic object potential. Each basic function behaves as a communication channel that transfers the information of the object with its own transmission characteristic. By properly combining the components of the different channels, it is possible to design a scheme to extract the information of valence electron distribution from a series of exit waves. The method is described theoretically and demonstrated by means of computer simulations.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
Impact Factor: 2.843
Times cited: 1
DOI: 10.1016/j.ultramic.2011.01.032
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“Correction of non-linear thickness effects in HAADF STEM electron tomography”. van den Broek W, Rosenauer A, Goris B, Martinez GT, Bals S, Van Aert S, van Dyck D, Ultramicroscopy 116, 8 (2012). http://doi.org/10.1016/j.ultramic.2012.03.005
Abstract: In materials science, high angle annular dark field scanning transmission electron microscopy is often used for tomography at the nanometer scale. In this work, it is shown that a thickness dependent, non-linear damping of the recorded intensities occurs. This results in an underestimated intensity in the interior of reconstructions of homogeneous particles, which is known as the cupping artifact. In this paper, this non-linear effect is demonstrated in experimental images taken under common conditions and is reproduced with a numerical simulation. Furthermore, an analytical derivation shows that these non-linearities can be inverted if the imaging is done quantitatively, thus preventing cupping in the reconstruction.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
Impact Factor: 2.843
Times cited: 67
DOI: 10.1016/j.ultramic.2012.03.005
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“Direct structure inversion from exit waves: part 1: theory and simulations”. Wang A, Chen FR, Van Aert S, van Dyck D, Ultramicroscopy 110, 527 (2010). http://doi.org/10.1016/j.ultramic.2009.11.024
Abstract: In order to interpret the amplitude and phase of the exit wave in terms of mass and position of the atoms, one has to invert the dynamic scattering of the electrons in the object so as to obtain a starting structure which can then be used as a seed for further quantitative structure refinement. This is especially challenging in case of a zone axis condition when the interaction of the electrons with the atom column is very strong. Based on the channelling theory we will show that the channelling map not only yields a circle on the Argand plot but also a circular defocus curve for every column. The former gives the number of atoms in each column, while the latter provides the defocus value for each column, which reveals the surface roughness at the exit plane with single atom sensitivity.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
Impact Factor: 2.843
Times cited: 25
DOI: 10.1016/j.ultramic.2009.11.024
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“Direct structure inversion from exit waves : part 2 : a practical example”. Wang A, Chen FR, Van Aert S, van Dyck D, Ultramicroscopy 116, 77 (2012). http://doi.org/10.1016/j.ultramic.2012.03.011
Abstract: This paper is the second part of a two-part paper on direct structure inversion from exit waves. In the first part, a method has been proposed to quantitatively determine structure parameters with atomic resolution such as atom column positions, surface profile and the number of atoms in the atom columns. In this part, the theory will be demonstrated by means of a Au[110] exit wave reconstructed from a set of focal-series images. The procedures to analyze the experimentally reconstructed exit wave in terms of quantitative structure information are described in detail.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
Impact Factor: 2.843
Times cited: 8
DOI: 10.1016/j.ultramic.2012.03.011
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“Does a monochromator improve the precision in quantitative HRTEM?”.den Dekker AJ, Van Aert S, van Dyck D, van den Bos A, Geuens P, Ultramicroscopy 89, 275 (2001). http://doi.org/10.1016/S0304-3991(01)00089-4
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
Impact Factor: 2.843
Times cited: 22
DOI: 10.1016/S0304-3991(01)00089-4
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“Dynamical electron diffraction in substitutionally disordered column structures”. De Meulenaere P, van Dyck D, Van Tendeloo G, van Landuyt J, Ultramicroscopy 60, 171 (1995). http://doi.org/10.1016/0304-3991(95)00040-8
Abstract: For column structures, such as fee-based alloys viewed along the cube direction, the concept of electron channelling through the atom columns is more and more used to interpret the corresponding HREM images. In the case of(partially) disordered columns, the projected potential approach which is used in the channelling description must be questioned since the arrangement of the atoms along the beam direction might affect the exit wave of the electrons. In this paper, we critically inspect this top-bottom effect using multi-slice calculations. A modified channelling theory is introduced which turns out to be very appropriate for the interpretation of these results. For substitutionally disordered column structures, it is also discussed how to link the chemical composition of the material to statistical data of the HREM image. This results in a convenient tool to discern images taken at different thicknesses and focus values.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
Impact Factor: 2.436
Times cited: 14
DOI: 10.1016/0304-3991(95)00040-8
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“An efficient way of including thermal diffuse scattering in simulation of scanning transmission electron microscopic images”. Croitoru MD, van Dyck D, Van Aert S, Bals S, Verbeeck J, Ultramicroscopy 106, 933 (2006). http://doi.org/10.1016/j.ultramic.2006.04.006
Abstract: We propose an improved image simulation procedure for atomic-resolution annular dark-field scanning transmission electron microscopy (STEM) based on the multislice formulation, which takes thermal diffuse scattering fully into account. The improvement with regard to the classical frozen phonon approach is realized by separating the lattice configuration statistics from the dynamical scattering so as to avoid repetitive calculations. As an example, the influence of phonon scattering on the image contrast is calculated and investigated. STEM image simulation of crystals can be applied with reasonable computing times to problems involving a large number of atoms and thick or large supercells.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT); Vision lab
Impact Factor: 2.843
Times cited: 18
DOI: 10.1016/j.ultramic.2006.04.006
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