“Throughput maximization of particle radius measurements by balancing size and current of the electron probe”. van den Broek W, Van Aert S, Goos P, van Dyck D, Ultramicroscopy 111, 940 (2011). http://doi.org/10.1016/j.ultramic.2010.11.025
Abstract: In thispaperweinvestigatewhichprobesizemaximizesthethroughputwhenmeasuringtheradiusof nanoparticlesinhighangleannulardarkfieldscanningtransmissionelectronmicroscopy(HAADFSTEM). The sizeandthecorrespondingcurrentoftheelectronprobedeterminetheprecisionoftheestimateofa particlesradius.Maximizingthroughputmeansthatamaximumnumberofparticlesshouldbeimaged withinagiventimeframe,sothataprespecifiedprecisionisattained.WeshowthatBayesianstatistical experimentaldesignisaveryusefulapproachtodeterminetheoptimalprobesizeusingacertainamount of priorknowledgeaboutthesample.Thedependenceoftheoptimalprobesizeonthedetectorgeometry and thediameter,variabilityandatomicnumberoftheparticlesisinvestigated.Anexpressionforthe optimalprobesizeintheabsenceofanykindofpriorknowledgeaboutthespecimenisderivedaswell.
Keywords: A1 Journal article; Engineering Management (ENM); Electron microscopy for materials research (EMAT); Vision lab
Impact Factor: 2.843
Times cited: 7
DOI: 10.1016/j.ultramic.2010.11.025
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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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“A holographic biprism as a perfect energy filter?”.Verbeeck J, Bertoni G, Lichte H, Ultramicroscopy 111, 887 (2011). http://doi.org/10.1016/j.ultramic.2011.01.042
Abstract: It has often been stated that a holographic biprism represents a near perfect energy filter and only elastically scattered electrons can participate in the interference fringes. This is based on the assumption that the reference wave does not contain inelastically scattered electrons. In this letter we show that this is not exactly true because of the delocalised inelastic interaction of the reference wave with the sample. We experimentally and theoretically show that inelastic scattering plays a role in the fringe formation, but it is shown that this contribution is small and can usually be neglected in practice. (C) 2011 Elsevier B.V. All rights reserved.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.843
Times cited: 13
DOI: 10.1016/j.ultramic.2011.01.042
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“Dynamic shear localization in Ti6Al4V”. Peirs J, Verleysen P, Tirry W, Rabet L, Schryvers D, Degrieck J, Procedia Engineering
T2 –, 11th International Conference on the Mechanical Behavior of Materials, (ICM), 2011, Como, ITALY (ICM11) , 1 (2011). http://doi.org/10.1016/j.proeng.2011.04.386
Abstract: The alloy Ti6Al4V is known to be prone to the formation of adiabatic shear bands when dynamically loaded in shear. This causes a catastrophic decrease of the load carrying capacity and is usually followed by fracture. Although, the main mechanism is recognized to be the competition between strain hardening and thermal softening, a detailed understanding of the role of microstructural plasticity mechanisms and macroscopic loading conditions does not exist yet. To study strain localization and shear fracture, different high strain rate shear tests have been carried out: compression of hat-shaped specimens, torsion of thin walled tubular specimens and in-plane shear tests. The value of the three techniques in studying shear localization is evaluated. Post-mortem analysis of the fracture surface and the materials' microstructure is performed with optical and electron microscopy. In all cases a ductile fracture is observed. SEM and TEM techniques are used to study the local microstructure and composition in the shear band and as such the driving mechanism for the ASB formation. (C) 2011 Published by Elsevier Ltd. Selection and/or peer-review under responsibility of ICM11
Keywords: P1 Proceeding; Electron microscopy for materials research (EMAT)
Times cited: 4
DOI: 10.1016/j.proeng.2011.04.386
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“New nano-architectures of mesoporous silica spheres analyzed by advanced electron microscopy”. Lebedev OI, Turner S, Liu S, Cool P, Van Tendeloo G, Nanoscale 4, 1722 (2012). http://doi.org/10.1039/c2nr11715k
Abstract: Using template-containing silica microspheres as a precursor, novel ordered mesoporous silica nanoparticles with a narrow pore size distribution and high crystallinity have been synthesized by various hydrothermal merging processes. Several architectures like chains, dumbbells, triangles, squares and flowers have been discovered. The linking mechanisms of these interacting silica spheres leading to the formation of ordered nano-structures are studied by HRTEM, HAADF-STEM and electron tomography and a plausible model is presented for several merging processes.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA)
Impact Factor: 7.367
Times cited: 5
DOI: 10.1039/c2nr11715k
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“Electric-field-induced shift of the Mott metal-insulator transition in thin films”. Nasr Esfahani D, Covaci L, Peeters FM, Physical review : B : condensed matter and materials physics 85, 085110 (2012). http://doi.org/10.1103/PhysRevB.85.085110
Abstract: The ground-state properties of a paramagnetic Mott insulator at half-filling are investigated in the presence of an external electric field using the inhomogeneous Gutzwiller approximation for a single-band Hubbard model in a slab geometry. We find that the metal-insulator transition is shifted toward higher Hubbard repulsions by applying an electric field perpendicular to the slab. The main reason is the accumulation of charges near the surface. The spatial distribution of site-dependent quasiparticle weight shows that it is maximal in a few layers beneath the surface, while the central sites where the field is screened have a very low quasiparticle weight. Our results show that above a critical-field value, states near the surface will be metallic, while the bulk quasiparticle weight is extremely suppressed but never vanishing, even for large Hubbard repulsions above the bulk zero-field critical value. Below the critical-field value, our results hint toward an insulating state in which the electric field is totally screened and the slab is again at half-filling.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 3
DOI: 10.1103/PhysRevB.85.085110
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“The reduction of the substitutional C content in annealed Si/SiGeC superlattices studied by dark-field electron holography”. Denneulin T, Rouvière JL, Béché, A, Py M, Barnes JP, Rochat N, Hartmann JM, Cooper D, Semiconductor science and technology 26, 1 (2011). http://doi.org/10.1088/0268-1242/26/12/125010
Abstract: Si/Si(1 − x − y)GexCy superlattices are used in the construction of new microelectronic architectures such as multichannel transistors. The introduction of carbon in SiGe allows for compensation of the strain and to avoid plastic relaxation. However, the formation of incoherent β-SiC clusters during annealing limits the processability of SiGeC. This precipitation leads to a modification of the strain in the alloy due to the reduction of the substitutional carbon content. Here, we investigated the strain in annealed Si/Si0.744Ge0.244C0.012 superlattices grown by reduced pressure chemical vapour deposition using dark-field electron holography. The variation of the substitutional C content was calculated by correlating the results with finite-element simulations. The obtained values were then compared with Fourier-transformed infrared spectrometry measurements. It was shown that after annealing for 2 min at 1050 °C carbon no longer has any influence on strain in the superlattice, which behaves like pure SiGe. However, a significant proportion of substitutional C atoms remain in a third-nearest neighbour (3nn) configuration. It was deduced that the influence of 3nn C on strain is negligible and that only isolated atoms have a significant contribution. It was also proposed that the 3nn configuration is an intermediary step during the formation of SiC clusters.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.305
DOI: 10.1088/0268-1242/26/12/125010
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“Size distribution and chemical properties of welding fumes of inhalable particles”. Oprya M, Kiro S, Worobiec A, Horemans B, Darchuk L, Novakovic V, Ennan A, Van Grieken R, Journal of aerosol science 45, 50 (2012). http://doi.org/10.1016/J.JAEROSCI.2011.10.004
Abstract: The goal of the present study was to analyze the relationship between the fume formation rate, welding conditions, chemical composition of welding fume particles and their size. In the range from 0.25 to 16 μm aerodynamic diameter, three distinct types of welding fume particles were identified in the welder's breathing zone. The elemental composition of each type depended completely on the used welding materials, and reflects their mechanism of formation. Their relative abundance in the welding fume appeared to be dependent on the electrode coating, as well as the heat input during welding.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Laboratory Experimental Medicine and Pediatrics (LEMP)
DOI: 10.1016/J.JAEROSCI.2011.10.004
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“Effect of heat-treatment on luminescence and structure of Ag nanoclusters doped oxyfluoride glasses and implication for fiber drawing”. Kuznetsov AS, Cuong NT, Tikhomirov VK, Jivanescu M, Stesmans A, Chibotaru LF, Velázquez JJ, Rodríguez VD, Kirilenko D, Van Tendeloo G, Moshchalkov VV, Optical materials 34, 616 (2012). http://doi.org/10.1016/j.optmat.2011.09.007
Abstract: The effect of heat treatment on the structure and luminescence of Ag nanoclusters doped oxyfluoride glasses was studied and the implication for drawing the corresponding fibers doped with luminescent Ag nanoclusters has been proposed. The heat treatment results, first, in condensation of the Ag nanoclusters into larger Ag nanoparticles and loss of Ag luminescence, and further heat treatment results in precipitation of a luminescent-loss nano- and microcrystalline Ag phases onto the surface of the glass. Thus, the oxyfluoride fiber doped with luminescent Ag nanoclusters was pulled from the viscous glass melt and its attenuation loss was 0.19 dB/cm in the red part of the spectrum; i.e. near to the maximum of Ag nanoclusters luminescence band. The nucleation centers for the Ag nanoclusters in oxyfluoride glasses have been suggested to be the fluorine vacancies and their nanoclusters.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.238
Times cited: 25
DOI: 10.1016/j.optmat.2011.09.007
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“Structural requirements in lithium cobalt oxides for the catalytic oxidation of water”. Gardner GP, Go YB, Robinson DM, Smith PF, Hadermann J, Abakumov A, Greenblatt M, Dismukes GC, Angewandte Chemie: international edition in English 51, 1616 (2012). http://doi.org/10.1002/anie.201107625
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 11.994
Times cited: 119
DOI: 10.1002/anie.201107625
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“Evidence of oxygen-dependent modulation in LuFe2O4”. Bourgeois J, Hervieu M, Poienar M, Abakumov AM, Elkaïm E, Sougrati MT, Porcher F, Damay F, Rouquette J, Van Tendeloo G, Maignan A, Haines J, Martin C;, Physical review : B : condensed matter and materials physics 85, 064102 (2012). http://doi.org/10.1103/PhysRevB.85.064102
Abstract: A polycrystalline sample of LuFe2O4 has been investigated by means of powder synchrotron x-ray and neutron diffraction and transmission electron microscopy (TEM), along with Mössbauer spectroscopy and transport and magnetic properties. A monoclinic distortion is unambiguously evidenced, and the crystal structure is refined in the monoclinic C2/m space group [aM = 5.9563(1) Å, bM = 3.4372(1) Å, cM = 8.6431(1) Å, β = 103.24(1)°]. Along with the previously reported modulations distinctive of the charge-ordering (CO) of the iron species, a new type of incommensurate order is observed, characterized by a vector q⃗1 = α1a⃗M* + γ1c⃗M* (with α1 ≅ 0.55, γ1 ≅ 0.13). In situ heating TEM observations from 300 to 773 K confirm that the satellites associated with q⃗1 vanish completely, only at a temperature significantly higher than the CO temperature. This incommensurate modulation has a displacive character and corresponds primarily to a transverse displacive modulation wave of the Lu cations position, as revealed by the high resolution, high angle annular dark field scanning TEM images and in agreement with synchrotron data refinements. Analyses of vacuum-annealed samples converge toward the hypothesis of a new ordering mechanism, associated with a tiny oxygen deviation from the O4 stoichiometry.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 3.836
Times cited: 24
DOI: 10.1103/PhysRevB.85.064102
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“Vortex interaction enhanced saturation number and caging effect in a superconducting film with a honeycomb array of nanoscale holes”. Latimer ML, Berdiyorov GR, Xiao ZL, Kwok WK, Peeters FM, Physical review : B : condensed matter and materials physics 85, 012505 (2012). http://doi.org/10.1103/PhysRevB.85.012505
Abstract: The electrical transport properties of a MoGe thin film with a honeycomb array of nanoscale holes are investigated. The critical current of the system shows nonmatching anomalies as a function of applied magnetic field, enabling us to distinguish between multiquanta vortices trapped in the holes and interstitial vortices located between the holes. The number of vortices trapped in each hole is found to be larger than the saturation number predicted for an isolated hole and shows a nonlinear field dependence, leading to the caging effect as predicted from the Ginzburg-Landau (GL) theory. Our experimental results are supplemented by numerical simulations based on the GL theory.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 41
DOI: 10.1103/PhysRevB.85.012505
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“Possibilities of energy-resolved X-ray radiography for the investigation of paintings”. Cabal Rodríguez AE, Leyva Pernia D, Schalm O, van Espen PJM, Analytical and bioanalytical chemistry 402, 1471 (2012). http://doi.org/10.1007/S00216-011-5230-X
Abstract: X-ray radiographic images of paintings often show little or no contrast. In order to increase the contrast in radiographic images we measured the X-ray spectrum of a low power X-ray tube, after passing through the painting, with a high energy-resolution SDD detector. To obtain images, the detector is collimated with a 400 mu m diameter pinhole and the painting was moved through the beam in the x and y-direction using a dwell time of a few seconds per pixel. The data obtained consists of a data cube of, typically, 200 x 200 pixels and a 512-channel X-ray spectrum for each pixel, spanning the energy range from 0 to 40 keV. Having the absorbance spectrum available for each pixel, we are able, a posteriori, to produce images by edge subtraction for any given element. In this way high contrast, element-specific, images can be obtained. Because of the high energy-resolution a much simpler edge subtraction algorithm can be applied. We also used principal-component imaging to obtain, in a more automated way, images with high contrast. Some of these images can easily be attributed to specific elements. It turns out that preprocessing of the spectral data is crucial for the success of the multivariate image processing.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1007/S00216-011-5230-X
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“Oxygen exchange on nanocrystalline tin dioxide modified by palladium”. Frolov DD, Kotovshchikov YN, Morozov IV, Boltalin AI, Fedorova AA, Marikutsa AV, Rumyantseva MN, Gaskov AM, Sadovskaya EM, Abakumov AM, Journal of solid state chemistry 186, 1 (2012). http://doi.org/10.1016/j.jssc.2011.11.028
Abstract: Temperature-programmed oxygen isotopic exchange study was performed on nanocrystalline tin dioxide-based materials synthesized via sol-gel route and modified by palladium. Such materials are widely used as resistive gas sensors. The experiments were carried out in a flow-reactor up to complete isotopic substitution of oxygen. Substantial rates of isotopic exchange for SnO2 were observed from about 700 K. The distribution of isotopic molecules O-16(2). (OO)-O-16-O-18 and O-18(2) corresponds to simple dioxygen heteroexchange mechanism with single lattice oxygen atom. The modification of SnO2 by Pd introduced multiple heteroexchange mechanism with preliminary O-2 dissociation on the clusters surface. Spill-over of atomic oxygen from Pd to the surface of SnO2 and fast exchange with lattice oxygen result in more than 100% increase of apparent heteroexchange rate. The exchange on SnO2/Pd was shown to be a complex process involving partial deactivation of the catalytic centers at temperature higher than 750 K. (C) 2011 Elsevier Inc. All rights reserved.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.299
Times cited: 34
DOI: 10.1016/j.jssc.2011.11.028
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“Cultural heritage and archaeology materials studied by synchrotron spectroscopy and imaging”. Bertrand L, Robinet L, Thoury M, Janssens K, Cohen SX, Schöder S, Applied physics A : materials science &, processing 106, 377 (2012). http://doi.org/10.1007/S00339-011-6686-4
Abstract: The use of synchrotron radiation techniques to study cultural heritage and archaeological materials has undergone a steep increase over the past 10-15 years. The range of materials studied is very broad and encompasses painting materials, stone, glass, ceramics, metals, cellulosic and wooden materials, and a cluster of organic-based materials, in phase with the diversity observed at archaeological sites, museums, historical buildings, etc. Main areas of investigation are: (1) the study of the alteration and corrosion processes, for which the unique non-destructive speciation capabilities of X-ray absorption have proved very beneficial, (2) the understanding of the technologies and identification of the raw materials used to produce archaeological artefacts and art objects and, to a lesser extent, (3) the investigation of current or novel stabilisation, conservation and restoration practices. In terms of the synchrotron methods used, the main focus so far has been on X-ray techniques, primarily X-ray fluorescence, absorption and diffraction, and Fourier-transform infrared spectroscopy. We review here the use of these techniques from recent works published in the field demonstrating the breadth of applications and future potential offered by third generation synchrotron techniques. New developments in imaging and advanced spectroscopy, included in the UV/visible and IR ranges, could even broaden the variety of materials studied, in particular by fostering more studies on organic and complex organic-inorganic mixtures, while new support activities at synchrotron facilities might facilitate transfer of knowledge between synchrotron specialists and users from archaeology and cultural heritage sciences.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Impact Factor: 1.455
Times cited: 55
DOI: 10.1007/S00339-011-6686-4
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“A case series on lung deposition analysis of inhaled medication using functional imaging based computational fluid dynamics in asthmatic patients : effect of upper airway morphology and comparison with in vivo data”. Vinchurkar S, De Backer L, Vos W, Van Holsbeke C, de Backer J, de Backer W, Inhalation Toxicology 24, 81 (2012). http://doi.org/10.3109/08958378.2011.644351
Abstract: Context: Asthma affects 20 million Americans resulting in an economic burden of approximately $18 billion in the US alone (Allergies and Asthma Foundation 2000; National Center for Environmental Health (NCEH) 1999). Research studies based on differences in patient-specific airway morphology for asthma and the associated effect on deposition of inhaled aerosols are currently not available in the literature. Therefore, the role of morphological variations such as upper airway (extrathoracic) occlusion is not well documented. Objective: Functional imaging based computational fluid dynamics (CFD) of the respiratory airways for five asthmatic subjects is performed in this study using computed tomography (CT) based patient-specific airway models and boundary conditions. Methods: CT scans for 5 asthma patients were used to reconstruct 3D lung models using segmentation software. An averaged inhalation profile and patient-specific lobar flow distribution were used to perform the simulation. The simulations were used to obtain deposition for BDP/Formoterol (R) HFA pMDI in the patient-specific airway models. Results: The lung deposition obtained using CFD was in excellent agreement with available in vivo data using the same product. Specifically, CFD resulted in 30% lung deposition, whereas in vivo lung deposition was reported to be approximately 31%. Conclusion: It was concluded that a combination of patient-specific airway models and lobar boundary conditions can be used to obtain accurate lung deposition estimates. Lower lung deposition can be expected for patients with higher extrathoracic resistance. Novel respiratory drug delivery devices need to accommodate population subgroups based on these morphological and anatomical differences in addition to subject age.
Keywords: A1 Journal article; Pharmacology. Therapy; Biophysics and Biomedical Physics; Condensed Matter Theory (CMT); Laboratory Experimental Medicine and Pediatrics (LEMP)
Impact Factor: 1.751
Times cited: 36
DOI: 10.3109/08958378.2011.644351
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“Luminescence of oxyfluoride glasses co-doped with Ag nanoclusters and Yb3+ ions”. Tikhomirov VK, Vosch T, Fron E, Rodríguez VD, Velázquez JJ, Kirilenko D, Van Tendeloo G, Hofkens J, Van der Auweraer M, Moshchalkov VV, RSC advances 2, 1496 (2012). http://doi.org/10.1039/c1ra01026c
Abstract: Bulk oxyfluoride glasses co-doped with Ag nanoclusters and Yb3+ ions have been prepared by a melt quenching technique. When excited in the absorption band of the Ag nanoclusters between 300 to 500 nm, these glasses emit a broad band characteristic of the Ag nanoclusters between 400 to 750 nm as well as an emission band between 900 to 1100 nm, originating from Yb3+ ions. The intensity ratio of the Yb3+/Ag emission bands increases with the Ag doping level at a fixed concentration of Yb3+, indicating the presence of energy transfer mechanism from the Ag nanoclusters to the Yb3+ ions. Comparison of time-resolved decay kinetics of the luminescence in the respectively Ag nanocluster-Yb3+ co-doped and single Ag nanocluster doped glasses, hints towards an energy transfer from the red and infrared emitting Ag nanoclusters to the Yb3+ ions.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 3.108
Times cited: 46
DOI: 10.1039/c1ra01026c
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“New insights into the early stages of nanoparticle electrodeposition”. Ustarroz J, Ke X, Hubin A, Bals S, Terryn H, The journal of physical chemistry: C : nanomaterials and interfaces 116, 2322 (2012). http://doi.org/10.1021/jp210276z
Abstract: Electrodeposition is an increasingly important method to synthesize supported nanoparticles, yet the early stages of electrochemical nanoparticle formation are not perfectly understood. In this paper, the early stages of silver nanoparticle electrodeposition on carbon substrates have been studied by aberration-corrected TEM, using carbon-coated TEM grids as electrochemical electrodes. In this manner we have access to as-deposited nanoparticle size distribution and structural characterization at the atomic scale combined with electrochemical measurements, which represents a breakthrough in a full understanding of the nanoparticle electrodeposition mechanisms. Whereas classical models, based upon characterization at the nanoscale, assume that electrochemical growth is only driven by direct attachment, the results reported hereafter indicate that early nanoparticle growth is mostly driven by nanocluster surface movement and aggregation. Hence, we conclude that electrochemical nulceation and growth models should be revised and that an electrochemical aggregative growth mechanism should be considered in the early stages of nanoparticle electrodeposition.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 4.536
Times cited: 104
DOI: 10.1021/jp210276z
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“Direct and indirect band-to-band tunneling in germanium-based TFETs”. Kao K-H, Verhulst AS, Vandenberghe WG, Sorée B, Groeseneken G, De Meyer K, IEEE transactions on electron devices 59, 292 (2012). http://doi.org/10.1109/TED.2011.2175228
Abstract: Germanium is a widely used material for tunnel FETs because of its small band gap and compatibility with silicon. Typically, only the indirect band gap of Ge at 0.66 eV is considered. However, direct band-to-band tunneling (BTBT) in Ge should be included in tunnel FET modeling and simulations since the energy difference between the Ge conduction band edges at the L and G valleys is only 0.14 eV at room temperature. In this paper, we theoretically calculate the parameters A and B of Kane's direct and indirect BTBT models at different tunneling directions ([100], [110], and [111]) for Si, Ge and unstrained Si1-xGex. We highlight how the direct BTBT component becomes more important as the Ge mole fraction increases. The calculation of the band-to-band generation rate in the uniform electric field limit reveals that direct tunneling always dominates over indirect tunneling in Ge. The impact of the direct transition in Ge on the performance of two realistic tunnel field-effect transistor configurations is illustrated with TCAD simulations. The influence of field-induced quantum confinement is included in the analysis based on a back-of-the-envelope calculation.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.605
Times cited: 212
DOI: 10.1109/TED.2011.2175228
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“Size-tunable, hexagonal plate-like Cu3P and Janus-like Cu-Cu3P nanocrystals”. De Trizio L, Figuerola A, Manna L, Genovese A, George C, Brescia R, Saghi Z, Simonutti R, van Huis M, Falqui A, ACS nano 6, 32 (2012). http://doi.org/10.1021/nn203702r
Abstract: We describe two synthesis approaches to colloidal Cu3P nanocrystals using trioctylphosphine (TOP) as phosphorus precursor. One approach is based on the homogeneous nucleation of small Cu3P nanocrystals with hexagonal plate-like morphology and with sizes that can be tuned from 5 to 50 nm depending on the reaction time. In the other approach, metallic Cu nanocrystals are nucleated first and then they are progressively phosphorized to Cu3P. In this case, intermediate Janus-like dimeric nanoparticles can be isolated, which are made of two domains of different materials, Cu and Cu3P, sharing a flat epitaxial interface. The Janus-like nanoparticles can be transformed back to single-crystalline copper particles if they are annealed at high temperature under high vacuum conditions, which makes them an interesting source of phosphorus. The features of the Cu Cu3P Janus-like nanoparticles are compared with those of the Wiped microstructure discovered more than two decades ago in the rapidly quenched Cu Cu3P eutectic of the Cu P alloy, suggesting that other alloy/eutectic systems that display similar behavior might give origin to nanostructures with flat, epitaxial Interface between domains of two diverse materials. Finally, the electrochemical properties of the copper phosphide plates are studied, and they are found to be capable of undergoing lithiation/delithiation through a displacement reaction, while the Janus-like Cu Cu3P particles do not display an electrochemical behavior that would make them suitable for applications in batteries.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 13.942
Times cited: 60
DOI: 10.1021/nn203702r
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“Anisotropic cation exchange in PbSe/CdSe core/shell nanocrystals of different geometry”. Casavola M, van Huis MA, Bals S, Lambert K, Hens Z, Vanmaekelbergh D, Chemistry of materials 24, 294 (2012). http://doi.org/10.1021/cm202796s
Abstract: We present a study of Cd2+-for-Pb2+ exchange in PbSe nanocrystals (NCs) with cube, star, and rod shapes. Prolonged temperature-activated cation exchange results in PbSe/CdSe heterostructured nanocrystals (HNCs) that preserve their specific overall shape, whereas the PbSe core is strongly faceted with dominance of {111} facets. Hence, cation exchange proceeds while the Se anion lattice is preserved, and well-defined {111}/{111} PbSe/CdSe interfaces develop. Interestingly, by quenching the reaction at different stages of the cation exchange new structures have been isolated, such as coreshell nanorods, CdSe rods that contain one or two separated PbSe dots and fully zinc blende CdSe nanorods. The crystallographically anisotropic cation exchange has been characterized by a combined HRTEM/HAADF-STEM study of heterointerface evolution over reaction time and temperature. Strikingly, Pb and Cd are only intermixed at the PbSe/CdSe interface. We propose a plausible model for the cation exchange based on a layer-by-layer replacement of Pb2+ by Cd2+ enabled by a vacancy-assisted cation migration mechanism.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 9.466
Times cited: 136
DOI: 10.1021/cm202796s
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“Tuning of the size and the lattice parameter of ion-beam synthesized Pb nanoparticles embedded in Si”. Wang H, Cuppens J, Biermans E, Bals S, Fernandez-Ballester L, Kvashnina KO, Bras W, van Bael MJ, Temst K, Vantomme A, Journal of physics: D: applied physics 45, 035301 (2012). http://doi.org/10.1088/0022-3727/45/3/035301
Abstract: The size and lattice constant evolution of Pb nanoparticles (NPs) synthesized by high fluence implantation in crystalline Si have been studied with a variety of experimental techniques. Results obtained from small-angle x-ray scattering showed that the Pb NPs grow with increasing implantation fluence and annealing duration. The theory of NP growth kinetics can be applied to qualitatively explain the size evolution of the Pb NPs during the implantation and annealing processes. Moreover, the lattice constant of the Pb NPs was evaluated by conventional x-ray diffraction. The lattice dilatation was observed to decrease with increasing size of the Pb NPs. Such lattice constant tuning can be attributed to the pseudomorphism caused by the lattice mismatch between the Pb NPs and the Si matrix.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.588
Times cited: 5
DOI: 10.1088/0022-3727/45/3/035301
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“Direct observation of ferrielectricity at ferroelastic domain boundaries in CaTiO3 by electron microscopy”. Van Aert S, Turner S, Delville R, Schryvers D, Van Tendeloo G, Salje EKH, Advanced materials 24, 523 (2012). http://doi.org/10.1002/adma.201103717
Abstract: High-resolution aberration-corrected transmission electron microscopy aided by statistical parameter estimation theory is used to quantify localized displacements at a (110) twin boundary in orthorhombic CaTiO3. The displacements are 36 pm for the Ti atoms and confined to a thin layer. This is the first direct observation of the generation of ferroelectricity by interfaces inside this material which opens the door for domain boundary engineering.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 19.791
Times cited: 150
DOI: 10.1002/adma.201103717
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“Strain-induced semiconductor to metal transition in the two-dimensional honeycomb structure of MoS2”. Scalise E, Houssa M, Pourtois G, Afanas'ev V, Stesmans A, Nano Research 5, 43 (2012). http://doi.org/10.1007/s12274-011-0183-0
Abstract: The electronic properties of two-dimensional honeycomb structures of molybdenum disulfide (MoS(2)) subjected to biaxial strain have been investigated using first-principles calculations based on density functional theory. On applying compressive or tensile bi-axial strain on bi-layer and mono-layer MoS(2), the electronic properties are predicted to change from semiconducting to metallic. These changes present very interesting possibilities for engineering the electronic properties of two-dimensional structures of MoS(2).
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 7.354
Times cited: 407
DOI: 10.1007/s12274-011-0183-0
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“_Sr{2}GaScO5, Sr10Ga6Sc4O25, and SrGa0.75Sc0.25O2.5 : a play in the octahedra to tetrahedra ratio in oxygen-deficient perovskites”. Chernov SV, Dobrovolsky YA, Istomin SY, Antipov EV, Grins J, Svensson G, Tarakina NV, Abakumov AM, Van Tendeloo G, Eriksson SG, Rahman SMH;, Inorganic chemistry 51, 1094 (2012). http://doi.org/10.1021/ic202236h
Abstract: Three different perovskite-related phases were isolated in the SrGa(1-x)Sc(x)O(2.5) system: Sr(2)GaScO(5), Sr(10)Ga(6)Sc(4)O(25), and SrGa(0.75)Sc(0.25)O(2.5), Sr(2)GaScO(5) (x = 0.5) crystallizes in a brownrnillerite-type structure [space group (S.G.) Icmm, a = 5.91048(5) angstrom, b = 15.1594(1) angstrom, and c = 5.70926(4) angstrom] with complete ordering of Sc(3+) and Ga(3+) over octahedral and tetrahedral positions, respectively. The crystal structure of Sr(10)Ga(6)Sc(4)O(25) (x = 0.4) was determined by the Monte Carlo method and refined using a combination of X-ray, neutron, and electron diffraction data [S.G. I4(1)/a, a = 17.517(1) angstrom, c = 32.830(3) angstrom]. It represents a novel type of ordering of the B cations and oxygen vacancies in perovskites. The crystal structure of Sr(10)Ga(6)Sc(4)O(25) can be described as a stacking of eight perovskite layers along the c axis ...[-(Sc/Ga)O(1.6)-SrO(0.8)-(Sc/Ga)O(1.8)-SrO(0.8)-](2 center dot center dot center dot) Similar to Sr(2)GaScO(5), this structure features a complete ordering of the Sc(3+) and Ga(3+) cations over octahedral and tetrahedral positions, respectively, within each layer. A specific feature of the crystal structure of Sr(10)Ga(6)Sc(4)O(25) is that one-third of the tetrahedra have one vertex not connected with other Sc/Ga cations. Further partial replacement of Sc(3+) by Ga(3+) leads to the formation of the cubic perovskite phase SrGa(0.75)Sc(0.25)O(2.5) (x = 0.25) with a = 3.9817(4) angstrom. This compound incorporates water molecules in the structure forming SrGa(0.75)Sc(0.25)O(2.5)center dot xH(2)O hydrate, which exhibits a proton conductivity of similar to 2.0 x 10(-6) S/cm at 673 K.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 4.857
Times cited: 14
DOI: 10.1021/ic202236h
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“Reaction mechanisms for atomic layer deposition of aluminum oxide on semiconductor substrates”. Delabie A, Sioncke S, Rip J, Van Elshocht S, Pourtois G, Mueller M, Beckhoff B, Pierloot K, Journal of vacuum science and technology: A: vacuum surfaces and films 30, 01a127 (2012). http://doi.org/10.1116/1.3664090
Abstract: In this work, we have studied the TMA/H(2)O (TMA Al(CH(3))(3)) atomic layer deposition (ALD) of Al(2)O(3) on hydroxyl (OH) and thiol (SH) terminated semiconductor substrates. Total reflection x-ray fluorescence reveals a complex growth-per-cycle evolution during the early ALD reaction cycles. OH and SH terminated surfaces demonstrate growth inhibition from the second reaction cycle on. Theoretical calculations, based on density functional theory, are performed on cluster models to investigate the first TMA/H(2)O reaction cycle. Based on the theoretical results, we discuss possible mechanisms for the growth inhibition from the second reaction cycle on. In addition, our calculations show that AlCH(3) groups are hydrolyzed by a H(2)O molecule adsorbed on a neighboring Al atom, independent of the type of backbonds (Si-O, Ge-O, or Ge-S) of AlCH(3). The coordination of Al remains four-fold after the first TMA/H(2)O reaction cycle. (C) 2012 American Vacuum Society. [DOI: 10.1116/1.3664090]
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 1.374
Times cited: 41
DOI: 10.1116/1.3664090
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“Extended Ginzburg-Landau formalism : systematic expansion in small deviation from the critical temperature”. Vagov AV, Shanenko AA, Milošević, MV, Axt VM, Peeters FM, Physical review : B : condensed matter and materials physics 85, 014502 (2012). http://doi.org/10.1103/PhysRevB.85.014502
Abstract: Based on the Gor'kov formalism for a clean s-wave superconductor, we develop an extended version of the single-band Ginzburg-Landau (GL) theory by means of a systematic expansion in the deviation from the critical temperature T(c), i.e., tau = 1 – T/T(c). We calculate different contributions to the order parameter and the magnetic field: the leading contributions (proportional to tau(1/2) in the order parameter and. t in the magnetic field) are controlled by the standard GL theory, while the next-to-leading terms (proportional to tau(3/2) in the gap and proportional to tau(2) in the magnetic field) constitute the extended GL (EGL) approach. We derive the free-energy functional for the extended formalism and the corresponding expression for the current density. To illustrate the usefulness of our formalism, we calculate, in a semianalytical form, the temperature-dependent correction to the GL parameter at which the surface energy becomes zero, and analytically, the temperature dependence of the thermodynamic critical field. We demonstrate that the EGL formalism is not just a mathematical extension to the theory: variations of both the gap and the thermodynamic critical field with temperature calculated within the EGL theory are found in very good agreement with the full BCS results down to low temperatures, which dramatically improves the applicability of the formalism compared to its standard predecessor.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 36
DOI: 10.1103/PhysRevB.85.014502
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“Phase selection enabled formation of abrupt axial heterojunctions in branched oxide nanowires”. Gao J, Lebedev OI, Turner S, Li YF, Lu YH, Feng YP, Boullay P, Prellier W, Van Tendeloo G, Wu T, Nano letters 12, 275 (2012). http://doi.org/10.1021/nl2035089
Abstract: Rational synthesis of nanowires via the vaporliquidsolid (VLS) mechanism with compositional and structural controls is vitally important for fabricating functional nanodevices from bottom up. Here, we show that branched indium tin oxide nanowires can be in situ seeded in vapor transport growth using tailored AuCu alloys as catalyst. Furthermore, we demonstrate that VLS synthesis gives unprecedented freedom to navigate the ternary InSnO phase diagram, and a rare and bulk-unstable cubic phase can be selectively stabilized in nanowires. The stabilized cubic fluorite phase possesses an unusual almost equimolar concentration of In and Sn, forming a defect-free epitaxial interface with the conventional bixbyite phase of tin-doped indium oxide that is the most employed transparent conducting oxide. This rational methodology of selecting phases and making abrupt axial heterojunctions in nanowires presents advantages over the conventional synthesis routes, promising novel composition-modulated nanomaterials.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 12.712
Times cited: 25
DOI: 10.1021/nl2035089
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“Biexciton binding energy in fractional dimensional semiconductors”. Rønnow TF, Pedersen TG, Partoens B, Physical review : B : condensed matter and materials physics 85, 045412 (2012). http://doi.org/10.1103/PhysRevB.85.045412
Abstract: Biexcitons in fractional dimensional spaces are studied using variational quantum Monte Carlo. We investigate the biexciton binding energy as a function of the electron-hole mass fraction sigma as well as study the dimensional dependence of biexcitons for sigma = 0 and sigma = 1. As our first application of this model we treat the H(2) molecule in two and three dimensions. Next we investigate biexcitons in carbon nanotubes within the fractional dimensional model. To this end we find a relation between the nanotube radius and the effective dimension. The results of both applications are compared with results obtained using different models and we find a reasonable agreement. Within the fractional dimensional model we find that the biexciton binding energy in carbon nanotubes accurately scales as E(B)(r,epsilon) = 1280 meV angstrom/(r epsilon), as a function of radius r and the dielectric screening epsilon.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 21
DOI: 10.1103/PhysRevB.85.045412
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“Enhancement of the retrapping current of superconducting microbridges of finite length”. Vodolazov DY, Peeters FM, Physical review : B : condensed matter and materials physics 85, 024508 (2012). http://doi.org/10.1103/PhysRevB.85.024508
Abstract: We theoretically find that the resistance of a superconducting microbridge or nanowire decreases while the retrapping current I(r) for the transition to the superconducting state increases when one suppresses the magnitude of the order parameter vertical bar Delta vertical bar in the attached superconducting leads. This effect is a consequence of the increased energy interval for diffusion of the “hot” nonequilibrium quasiparticles (induced by the oscillations of vertical bar Delta vertical bar in the center of the microbridge) to the leads. The effect is absent in short microbridges (with length less than the coherence length) and it is relatively weak in long microbridges (with length larger than the inelastic relaxation length of the nonequilibrium distribution function). A nonmonotonous dependence of I(r) on the length of the microbridge is predicted. Our results are important for the explanation of the enhancement of the critical current and the appearance of negative magnetoresistance observed in many recent experiments on superconducting microbridges or nanowires.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 7
DOI: 10.1103/PhysRevB.85.024508
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