“Additivity of Atomic Strain Fields as a Tool to Strain-Engineering Phase-Stabilized CsPbI3Perovskites”. Teunissen JL, Braeckevelt T, Skvortsova I, Guo J, Pradhan B, Debroye E, Roeffaers MBJ, Hofkens J, Van Aert S, Bals S, Rogge SMJ, Van Speybroeck V, The Journal of Physical Chemistry C 127, 23400 (2023). http://doi.org/10.1021/acs.jpcc.3c05770
Abstract: CsPbI3 is a promising perovskite material for photovoltaic applications in its photoactive perovskite or black phase. However, the material degrades to a photovoltaically inactive or yellow phase at room temperature. Various mitigation strategies are currently being developed to increase the lifetime of the black phase, many of which rely on inducing strains in the material that hinder the black-to-yellow phase transition. Physical insight into how these strategies exactly induce strain as well as knowledge of the spatial extent over which these strains impact the material is crucial to optimize these approaches but is still lacking. Herein, we combine machine learning potential-based molecular dynamics simulations with our in silico strain engineering approach to accurately quantify strained large-scale atomic structures on a nanosecond time scale. To this end, we first model the strain fields introduced by atomic substitutions as they form the most elementary strain sources. We demonstrate that the magnitude of the induced strain fields decays exponentially with the distance from the strain source, following a decay rate that is largely independent of the specific substitution. Second, we show that the total strain field induced by multiple strain sources can be predicted to an excellent approximation by summing the strain fields of each individual source. Finally, through a case study, we illustrate how this additive character allows us to explain how complex strain fields, induced by spatially extended strain sources, can be predicted by adequately combining the strain fields caused by local strain sources. Hence, the strain additivity proposed here can be adopted to further our insight into the complex strain behavior in perovskites and to design strain from the atomic level onward to enhance their sought-after phase stability.
Keywords: A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ;
Impact Factor: 3.7
DOI: 10.1021/acs.jpcc.3c05770
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“Conformation-Dependent Monolayer and Bilayer Structures of an Alkylated TTF Derivative Revealed using STM and Molecular Modeling”. Delfino CL, Hao Y, Martin C, Minoia A, Gopi E, Mali KS, Van der Auweraer M, Geerts YH, Van Aert S, Lazzaroni R, De Feyter S, The Journal of Physical Chemistry C 127, 23023 (2023). http://doi.org/10.1021/acs.jpcc.3c04913
Abstract: In this study, the multi-layer self-assembled molecular network formation of an alkylated tetrathiafulvalene compound is studied at the liquid-solid interface between 1-phenyloctane and graphite. A combined theoretical/experimental approach associating force-field and quantum-chemical calculations with scanning tunnelling microscopy is used to determine the two-dimensional self-assembly beyond the monolayer, but also to further the understanding of the molecular adsorption conformation and its impact on the molecular packing within the assemblies at the monolayer and bilayer level.
Keywords: A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ;
Impact Factor: 3.7
DOI: 10.1021/acs.jpcc.3c04913
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“Optimal experimental design for the detection of light atoms from high-resolution scanning transmission electron microscopy images”. Gonnissen J, de Backer A, den Dekker AJ, Martinez GT, Rosenauer A, Sijbers J, Van Aert S, Applied physics letters 105, 063116 (2014). http://doi.org/10.1063/1.4892884
Abstract: We report an innovative method to explore the optimal experimental settings to detect light atoms from scanning transmission electron microscopy (STEM) images. Since light elements play a key role in many technologically important materials, such as lithium-battery devices or hydrogen storage applications, much effort has been made to optimize the STEM technique in order to detect light elements. Therefore, classical performance criteria, such as contrast or signal-to-noise ratio, are often discussed hereby aiming at improvements of the direct visual interpretability. However, when images are interpreted quantitatively, one needs an alternative criterion, which we derive based on statistical detection theory. Using realistic simulations of technologically important materials, we demonstrate the benefits of the proposed method and compare the results with existing approaches.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
Impact Factor: 3.411
Times cited: 12
DOI: 10.1063/1.4892884
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“Unusual structural rearrangement and superconductivity in infinite layer cuprate superlattices”. Samal D, Gauquelin N, Takamura Y, Lobato I, Arenholz E, Van Aert S, Huijben M, Zhong Z, Verbeeck J, Van Tendeloo G, Koster G, Physical review materials 7, 054803 (2023). http://doi.org/10.1103/PhysRevMaterials.7.054803
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 3.4
DOI: 10.1103/PhysRevMaterials.7.054803
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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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“Exit wave reconstruction from focal series of HRTEM images, single crystal XRD and total energy studies on SbxWO3+y (x\sim0.11)”. Klingstedt M, Sundberg M, Eriksson L, Haigh S, Kirkland A, Grüner D, de Backer A, Van Aert S, Tarasaki O, Zeitschrift für Kristallographie 227, 341 (2012). http://doi.org/10.1524/zkri.2012.1517
Abstract: A new tungsten bronze in the SbWO system has been prepared in a solid state reaction from Sb2O3, WO3 and W metal powder. The average structure was determined by single crystal X-ray diffraction. SbxWO3+y (x ∼ 0.11) crystallizes in the orthorhombic space group Pm21n (no. 31), a = 27.8135(9) Å, b = 7.3659(2) Å and c = 3.8672(1) Å. The structure belongs to the (n)-ITB class of intergrowth tungsten bronzes. It contains slabs of hexagonal channels formed by six WO6 octahedra. These slabs are separated by three layers of WO6 octahedra that are arranged in a WO3-type fashion. The WO6 octahedra share all vertices to build up a three-dimensional framework. The hexagonal channels are filled with Sb atoms to ∼80% and additional O atoms. The atoms are shifted out of the center of the channels. Exit-wave reconstruction of focal series of high resolution-transmission-electron-microscope (HRTEM) images combined with statistical paramäeter estimation techniques allowed to study local ordering in the channels. Sb atoms in neighbouring channels tend to be displaced in the same direction, which is in agreement with total energy calculations on ordered structure models, but the ratio of the occupation of the two possible Sb sites varies from channel to channel. The structure of SbxWO3+y exhibits pronounced local modulations.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 3.179
Times cited: 4
DOI: 10.1524/zkri.2012.1517
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“Determination of the atomic width of an APB in ordered CoPt using quantified HAADF-STEM”. Akamine H, Van den Bos KHW, Gauquelin N, Farjami S, Van Aert S, Schryvers D, Nishida M, Journal of alloys and compounds 644, 570 (2015). http://doi.org/10.1016/j.jallcom.2015.04.205
Abstract: Anti-phase boundaries (APBs) in an ordered CoPt alloy are planar defects which disturb the ordered structure in their vicinity and decrease the magnetic properties. However, it has not yet been clarified to what extend the APBs disturb the ordering. In this study, high-resolution HAADF-STEM images are statistically analysed based on the image intensities estimated by the statistical parameter estimation theory. In the procedure, averaging intensities, fitting the intensity profiles to specific functions, and assessment based on a statistical test are performed. As a result, the APBs in the stable CoPt are found to be characterised by two atomic planes, and a contrast transition range as well as the centre of an inclined APB is determined. These results show that the APBs are quite sharp and therefore may have no notable effect on the net magnetic properties due to their small volume fraction. (C) 2015 Elsevier B.V. All rights reserved.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 3.133
Times cited: 12
DOI: 10.1016/j.jallcom.2015.04.205
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“Atomic and electronic structures of BaHfO3-doped TFA-MOD-derived YBa2Cu3O7−δthin films”. Molina-Luna L, Duerrschnabel M, Turner S, Erbe M, Martinez GT, Van Aert S, Holzapfel B, Van Tendeloo G, Superconductor science and technology 28, 115009 (2015). http://doi.org/10.1088/0953-2048/28/11/115009
Abstract: Tailoring the properties of oxide-based nanocomposites is of great importance for a wide range of materials relevant for energy technology. YBa2Cu3O7−δ (YBCO) superconducting thin films containing nanosized BaHfO3 (BHO) particles yield a significant improvement of the magnetic flux pinning properties and a reduced anisotropy of the critical current density. These films were prepared by chemical solution deposition (CSD) on (100) SrTiO3 (STO) substrates yielding critical current densities up to 3.6 MA cm−2 at 77 K and self-field. Transport in-field J c measurements demonstrated a high pinning force maximum of around 6 GN/m3 for a sample annealed at T = 760 °C that has a doping of 12 mol% of BHO. This sample was investigated by scanning transmission electron microscopy (STEM) in combination with electron energy-loss spectroscopy (EELS) yielding strain and spectral maps. Spherical BHO nanoparticles of 15 nm in size were found in the matrix, whereas the particles at the interface were flat. A 2 nm diffusion layer containing Ti was found at the YBCO (BHO)/STO interface. Local lattice deformation mapping at the atomic scale revealed crystal defects induced by the presence of both sorts of BHO nanoparticles, which can act as pinning centers for magnetic flux lines. Two types of local lattice defects were identified and imaged: (i) misfit edge dislocations and (ii) Ba-Cu-Cu-Ba stacking faults (Y-248 intergrowths). The local electronic structure and charge transfer were probed by high energy resolution monochromated electron energy-loss spectroscopy. This technique made it possible to distinguish superconducting from non-superconducting areas in nanocomposite samples with atomic resolution in real space, allowing the identification of local pinning sites on the order of the coherence length of YBCO (~1.5 nm) and the determination of 0.25 nm dislocation cores.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.878
Times cited: 4
DOI: 10.1088/0953-2048/28/11/115009
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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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“Atom counting in HAADF STEM using a statistical model-based approach : methodology, possibilities, and inherent limitations”. de Backer A, Martinez GT, Rosenauer A, Van Aert S, Ultramicroscopy 134, 23 (2013). http://doi.org/10.1016/j.ultramic.2013.05.003
Abstract: In the present paper, a statistical model-based method to count the number of atoms of monotype crystalline nanostructures from high resolution high-angle annular dark-field (HAADF) scanning transmission electron microscopy (STEM) images is discussed in detail together with a thorough study on the possibilities and inherent limitations. In order to count the number of atoms, it is assumed that the total scattered intensity scales with the number of atoms per atom column. These intensities are quantitatively determined using model-based statistical parameter estimation theory. The distribution describing the probability that intensity values are generated by atomic columns containing a specific number of atoms is inferred on the basis of the experimental scattered intensities. Finally, the number of atoms per atom column is quantified using this estimated probability distribution. The number of atom columns available in the observed STEM image, the number of components in the estimated probability distribution, the width of the components of the probability distribution, and the typical shape of a criterion to assess the number of components in the probability distribution directly affect the accuracy and precision with which the number of atoms in a particular atom column can be estimated. It is shown that single atom sensitivity is feasible taking the latter aspects into consideration.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.843
Times cited: 48
DOI: 10.1016/j.ultramic.2013.05.003
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“Atomic resolution mapping of phonon excitations in STEM-EELS experiments”. Egoavil R, Gauquelin N, Martinez GT, Van Aert S, Van Tendeloo G, Verbeeck J, Ultramicroscopy 147, 1 (2014). http://doi.org/10.1016/j.ultramic.2014.04.011
Abstract: Atomically resolved electron energy-loss spectroscopy experiments are commonplace in modern aberration-corrected transmission electron microscopes. Energy resolution has also been increasing steadily with the continuous improvement of electron monochromators. Electronic excitations however are known to be delocalized due to the long range interaction of the charged accelerated electrons with the electrons in a sample. This has made several scientists question the value of combined high spatial and energy resolution for mapping interband transitions and possibly phonon excitation in crystals. In this paper we demonstrate experimentally that atomic resolution information is indeed available at very low energy losses around 100 meV expressed as a modulation of the broadening of the zero loss peak. Careful data analysis allows us to get a glimpse of what are likely phonon excitations with both an energy loss and gain part. These experiments confirm recent theoretical predictions on the strong localization of phonon excitations as opposed to electronic excitations and show that a combination of atomic resolution and recent developments in increased energy resolution will offer great benefit for mapping phonon modes in real space.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.843
Times cited: 22
DOI: 10.1016/j.ultramic.2014.04.011
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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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“Dose limited reliability of quantitative annular dark field scanning transmission electron microscopy for nano-particle atom-counting”. de Backer A, Martinez GT, MacArthur KE, Jones L, Béché, A, Nellist PD, Van Aert S, Ultramicroscopy 151, 56 (2015). http://doi.org/10.1016/j.ultramic.2014.11.028
Abstract: Quantitative annular dark field scanning transmission electron microscopy (ADF STEM) has become a powerful technique to characterise nano-particles on an atomic scale. Because of their limited size and beam sensitivity, the atomic structure of such particles may become extremely challenging to determine. Therefore keeping the incoming electron dose to a minimum is important. However, this may reduce the reliability of quantitative ADF STEM which will here be demonstrated for nano-particle atom-counting. Based on experimental ADF STEM images of a real industrial catalyst, we discuss the limits for counting the number of atoms in a projected atomic column with single atom sensitivity. We diagnose these limits by combining a thorough statistical method and detailed image simulations.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.843
Times cited: 29
DOI: 10.1016/j.ultramic.2014.11.028
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“Effect of amorphous layers on the interpretation of restored exit waves”. Van Aert S, Chang LY, Bals S, Kirkland AI, Van Tendeloo G, Ultramicroscopy 109, 237 (2009). http://doi.org/10.1016/j.ultramic.2008.10.024
Abstract: The effects of amorphous layers on the quality of exit wave restorations have been investigated. Two independently developed software implementations for exit wave restoration have been used to simulated focal series of images of SrTiO3 with amorphous carbon layers incorporated. The restored exit waves have been compared both qualitatively and quantitatively. We have shown that amorphous layers have a strong impact on the quantitative measurements of atomic column positions, however, the error in the position measurements is still in the picometer range.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.843
Times cited: 10
DOI: 10.1016/j.ultramic.2008.10.024
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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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“Electron channelling based crystallography”. Van Aert S, Geuens P, van Dyck D, Kisielowski C, Jinschek JR, Ultramicroscopy 107, 551 (2007). http://doi.org/10.1016/j.ultramic.2006.04.031
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
Impact Factor: 2.843
Times cited: 32
DOI: 10.1016/j.ultramic.2006.04.031
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“Estimation of unknown structure parameters from high-resolution (S)TEM images : what are the limits?”.den Dekker AJ, Gonnissen J, de Backer A, Sijbers J, Van Aert S, Ultramicroscopy 134, 34 (2013). http://doi.org/10.1016/j.ultramic.2013.05.017
Abstract: Statistical parameter estimation theory is proposed as a quantitative method to measure unknown structure parameters from electron microscopy images. Images are then purely considered as data planes from which structure parameters have to be determined as accurately and precisely as possible using a parametric statistical model of the observations. For this purpose, an efficient algorithm is proposed for the estimation of atomic column positions and intensities from high angle annular dark field (HAADF) scanning transmission electron microscopy (STEM) images. Furthermore, the so-called CramérRao lower bound (CRLB) is reviewed to determine the limits to the precision with which continuous parameters such as atomic column positions and intensities can be estimated. Since this lower bound can only be derived for continuous parameters, alternative measures using the principles of detection theory are introduced for problems concerning the estimation of discrete parameters such as atomic numbers. An experimental case study is presented to show the practical use of these measures for the optimization of the experiment design if the purpose is to decide between the presence of specific atom types using STEM images.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
Impact Factor: 2.843
Times cited: 31
DOI: 10.1016/j.ultramic.2013.05.017
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“High precision measurements of atom column positions using model-based exit wave reconstruction”. de Backer A, Van Aert S, van Dyck D, Ultramicroscopy 111, 1475 (2011). http://doi.org/10.1016/j.ultramic.2011.07.002
Abstract: In this paper, it has been investigated how to measure atom column positions as accurately and precisely as possible using a focal series of images. In theory, it is expected that the precision would considerably improve using a maximum likelihood estimator based on the full series of focal images. As such, the theoretical lower bound on the variances of the unknown atom column positions can be attained. However, this approach is numerically demanding. Therefore, maximum likelihood estimation has been compared with the results obtained by fitting a model to a reconstructed exit wave rather than to the full series of focal images. Hence, a real space model-based exit wave reconstruction technique based on the channelling theory is introduced. Simulations show that the reconstructed complex exit wave contains the same amount of information concerning the atom column positions as the full series of focal images. Only for thin samples, which act as weak phase objects, this information can be retrieved from the phase of the reconstructed complex exit wave.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
Impact Factor: 2.843
Times cited: 8
DOI: 10.1016/j.ultramic.2011.07.002
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“Introduction to a special issue in honour of W. Owen Saxton, David J. Smith and Dirk Van Dyck on the occasion of their 65th birthdays”. Dunin-Borkowski RE, Lichte H, Tillmann K, Van Aert S, Van Tendeloo G, Ultramicroscopy 134, 1 (2013). http://doi.org/10.1016/j.ultramic.2013.07.013
Keywords: Editorial; Electron microscopy for materials research (EMAT)
Impact Factor: 2.843
Times cited: 1
DOI: 10.1016/j.ultramic.2013.07.013
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“Is atomic resolution transmission electron microscopy able to resolve and refine amorphous structures?”.van Dyck D, Van Aert S, den Dekker AJ, van den Bos A, Ultramicroscopy 98, 27 (2003). http://doi.org/10.1016/S0304-3991(03)00023-8
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
Impact Factor: 2.843
Times cited: 26
DOI: 10.1016/S0304-3991(03)00023-8
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“Linear versus non-linear structural information limit in high-resolution transmission electron microscopy”. Van Aert S, Chen JH, van Dyck D, Ultramicroscopy 110, 1404 (2010). http://doi.org/10.1016/j.ultramic.2010.07.001
Abstract: A widely used performance criterion in high-resolution transmission electron microscopy (HRTEM) is the information limit. It corresponds to the inverse of the maximum spatial object frequency that is linearly transmitted with sufficient intensity from the exit plane of the object to the image plane and is limited due to partial temporal coherence. In practice, the information limit is often measured from a diffractogram or from Young's fringes assuming a weak phase object scattering beyond the inverse of the information limit. However, for an aberration corrected electron microscope, with an information limit in the sub-angstrom range, weak phase objects are no longer applicable since they do not scatter sufficiently in this range. Therefore, one relies on more strongly scattering objects such as crystals of heavy atoms observed along a low index zone axis. In that case, dynamical scattering becomes important such that the non-linear and linear interaction may be equally important. The non-linear interaction may then set the experimental cut-off frequency observed in a diffractogram. The goal of this paper is to quantify both the linear and the non-linear information transfer in terms of closed form analytical expressions. Whereas the cut-off frequency set by the linear transfer can be directly related with the attainable resolution, information from the non-linear transfer can only be extracted using quantitative, model-based methods. In contrast to the historic definition of the information limit depending on microscope parameters only, the expressions derived in this paper explicitly incorporate their dependence on the structure parameters as well. In order to emphasize this dependence and to distinguish from the usual information limit, the expressions derived for the inverse cut-off frequencies will be referred to as the linear and non-linear structural information limit. The present findings confirm the well-known result that partial temporal coherence has different effects on the transfer of the linear and non-linear terms, such that the non-linear imaging contributions are damped less than the linear imaging contributions at high spatial frequencies. This will be important when coherent aberrations such as spherical aberration and defocus are reduced.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
Impact Factor: 2.843
Times cited: 6
DOI: 10.1016/j.ultramic.2010.07.001
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“Maximum likelihood estimation of structure parameters from high resolution electron microscopy images: part 1: a theoretical framework”. den Dekker AJ, Van Aert S, van den Bos A, van Dyck D, Ultramicroscopy 104, 83 (2005). http://doi.org/10.1016/j.ultramic.2005.03.001
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
Impact Factor: 2.843
Times cited: 70
DOI: 10.1016/j.ultramic.2005.03.001
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“Maximum likelihood estimation of structure parameters from high resolution electron microscopy images : part 2 : a practical example”. Van Aert S, den Dekker AJ, van den Bos A, van Dyck D, Chen JH, Ultramicroscopy 104, 107 (2005). http://doi.org/10.1016/j.ultramic.2005.03.002
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
Impact Factor: 2.843
Times cited: 37
DOI: 10.1016/j.ultramic.2005.03.002
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“A memory efficient method for fully three-dimensional object reconstruction with HAADF STEM”. Van den Broek W, Rosenauer A, Van Aert S, Sijbers J, van Dyck D, Ultramicroscopy 141, 22 (2014). http://doi.org/10.1016/j.ultramic.2014.03.008
Abstract: The conventional approach to object reconstruction through electron tomography is to reduce the three-dimensional problem to a series of independent two-dimensional slice-by-slice reconstructions. However, at atomic resolution the image of a single atom extends over many such slices and incorporating this image as prior knowledge in tomography or depth sectioning therefore requires a fully three-dimensional treatment. Unfortunately, the size of the three-dimensional projection operator scales highly unfavorably with object size and readily exceeds the available computer memory. In this paper, it is shown that for incoherent image formation the memory requirement can be reduced to the fundamental lower limit of the object size, both for tomography and depth sectioning. Furthermore, it is shown through multislice calculations that high angle annular dark field scanning transmission electron microscopy can be sufficiently incoherent for the reconstruction of single element nanocrystals, but that dynamical diffraction effects can cause classification problems if more than one element is present. (C) 2014 Elsevier B.V. All rights reserved.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
Impact Factor: 2.843
Times cited: 6
DOI: 10.1016/j.ultramic.2014.03.008
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“A method to determine the local surface profile from reconstructed exit waves”. Wang A, Chen FR, Van Aert S, van Dyck D, Ultramicroscopy 111, 1352 (2011). http://doi.org/10.1016/j.ultramic.2011.04.005
Abstract: Reconstructed exit waves are useful to quantify unknown structure parameters such as the position and composition of the atom columns at atomic scale. Existing techniques provide a complex wave in a flat plane which is close to the plane where the electrons leave the atom columns. However, due to local deviation in the flatness of the exit surface, there will be an offset between the plane of reconstruction and the actual exit of a specific atom column. Using the channelling theory, it has been shown that this defocus offset can in principle be determined atom column-by-atom column. As such, the surface roughness could be quantified at atomic scale. However, the outcome strongly depends on the initial plane of reconstruction especially in a crystalline structure. If this plane is further away from the true exit, the waves of the atom columns become delocalized and interfere mutually which strongly complicates the interpretation of the exit wave in terms of the local structure. In this paper, we will study the delocalization with defocus using the channelling theory in a more systematic way.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
Impact Factor: 2.843
Times cited: 3
DOI: 10.1016/j.ultramic.2011.04.005
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“A model based atomic resolution tomographic algorithm”. van den Broek W, Van Aert S, van Dyck D, Ultramicroscopy 109, 1485 (2009). http://doi.org/10.1016/j.ultramic.2009.08.003
Abstract: Tomography with high angular annular dark field scanning transmission electron microscopy at atomic resolution can be greatly improved if one is able to take advantage of prior knowledge. In this paper we present a reconstruction technique that explicitly takes into account the microscope parameters and the atomic nature of the projected object. This results in a more accurate estimate of the atomic positions and in a good resistance to noise. The reconstruction is a maximum likelihood estimator of the object. Moreover, the limits to the precision have been explored, allowing for a prediction of the amount of expected noise in the reconstruction for a certain experimental setup. We believe that the proposed reconstruction technique can be generalized to other tomographic experiments.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
Impact Factor: 2.843
Times cited: 17
DOI: 10.1016/j.ultramic.2009.08.003
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“Model based quantification of EELS spectra”. Verbeeck J, Van Aert S, Ultramicroscopy 101, 207 (2004). http://doi.org/10.1016/j.ultramic.2004.06.004
Abstract: Recent advances in model based quantification of electron energy loss spectra (EELS) are reported. The maximum likelihood method for the estimation of physical parameters describing an EELS spectrum, the validation of the model used in this estimation procedure, and the computation of the attainable precision, that is, the theoretical lower bound on the variance of these estimates, are discussed. Experimental examples on An and GaAs samples show the power of the maximum likelihood method and show that the theoretical prediction of the attainable precision can be closely approached even for spectra with overlapping edges where conventional EELS quantification fails. To provide end-users with a low threshold alternative to conventional quantification, a user friendly program was developed which is freely available under a GNU public license. (C) 2004 Elsevier B.V. All rights reserved.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.843
Times cited: 147
DOI: 10.1016/j.ultramic.2004.06.004
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