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“2-D rotational invariant multi sub band Schrödinger-Poisson solver to model nanowire transistors”. Sels D, Sorée B, Groeseneken G, 14th International Workshop on Computational Electronics, 85 (2010)
Keywords: A1 Journal article; Electron Microscopy for Materials Science (EMAT);
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“Branch current behavior at two level anti-crossings in vertical quantum dot single-particle spectra”. Payette C, Austing DG, Yu G, Gupta JA, Nair SV, Partoens B, Amaha S, Tarucha S, AIP conference proceedings 1199, 271 (2010). http://doi.org/10.1063/1.3295404
Abstract: We study single-electron-elastic-resonant-tunneling through two weakly coupled vertical quantum dots and investigate the branch current behavior at anti-crossings between two single-particle energy levels in the constituent dot spectra that are induced to approach each other by application of an out-of-dot-plane magnetic field. We observe both the familiar case of monotonic transfer of the resonant current strengths between the two branches as well as the less familiar case of concurrent enhancement and suppression (ideally complete cancellation) of the resonant current in the two branches. These two situations can be explained in terms of a simple coherent tunneling model. ©2009 American Institute of Physics
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
DOI: 10.1063/1.3295404
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Eckert M (2010) Combined molecular dynamics and Monte Carlo simulations for the deposition of (ultra)nanocrystalline diamond. Antwerpen
Keywords: Doctoral thesis; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
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Ke X (2010) From top-down to bottom-up : from carbon nanotubes to nanodevices. Antwerpen
Keywords: Doctoral thesis; Electron microscopy for materials research (EMAT)
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“A non-linear variational principle for the self-consistent solution of Poisson's equation and a transport equation in the local density approximation”. Carrillo-Nuñez H, Magnus W, Peeters FM, , 171 (2010)
Keywords: P1 Proceeding; Condensed Matter Theory (CMT)
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“Novel device concepts for nanotechnology : the nanowire pinch-off FET and graphene tunnelFET”. Sorée B, Magnus W, Szepieniec M, Vandenbreghe W, Verhulst A, Pourtois G, Groeseneken G, de Gendt S, Heyns M, ECS transactions 28, 15 (2010)
Abstract: We explain the basic operation of a nanowire pinch-off FET and graphene nanoribbon tunnelFET. For the nanowire pinch-off FET we construct an analytical model to obtain the threshold voltage as a function of radius and doping density. We use the gradual channel approximation to calculate the current-voltage characteristics of this device and we show that the nanowire pinch-off FET has a subthreshold slope of 60 mV/dec and good ION and ION/IOFF ratios. For the graphene nanoribbon tunnelFET we show that an improved analytical model yields more realistic results for the transmission probability and hence the tunneling current. The first simulation results for the graphene nanoribbon tunnelFET show promising subthreshold slopes.
Keywords: A2 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
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“Phase-diagram for the magnetic states of the Mn-ion subsystem in a magnetic quantum dot”. Nguyen NTT, Peeters FM, Journal of physics : conference series
T2 –, Conference on Quantum Dots 2010 (QD2010), APR 26-30, 2010, Nottingham, ENGLAND , 012032 (2010). http://doi.org/10.1088/1742-6596/245/1/012032
Abstract: The interplay between two types of spin-spin exchange interaction (namely of the electron with the Mn-ions and the Mn-ions with each other) that are governed by the positions of the Mn-ions and the magnetic field is studied in the case of a Mn-ion doped CdTe quantum dot. We investigate the formation of different magnetic phases and the existence of frustrated magnetic states due to the dominant contribution of the Mn-Mn energy.
Keywords: P1 Proceeding; Engineering sciences. Technology; Condensed Matter Theory (CMT)
DOI: 10.1088/1742-6596/245/1/012032
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“Polarity-dependent vortex pinning and spontaneous vortex-antivortex structures in superconductor/ferromagnet hybrids”. Bending SJ, Milošević MV, Moshchalkov VV Springer, Berlin, page 299 (2010).
Keywords: H1 Book chapter; Condensed Matter Theory (CMT)
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Cao S (2010) Quantitative 3D analysis of Ni4Ti3 precipitate morphology and distribution in Ni-Ti by FIB/SEM slice-and-view. Antwerpen
Keywords: Doctoral thesis; Electron microscopy for materials research (EMAT)
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“Quasiparticle energies and uniaxial pressure effects on the properties of SnO2”. Saniz R, Dixit H, Lamoen D, Partoens B, Applied physics letters 97, 261901 (2010). http://doi.org/10.1063/1.3532109
Abstract: We calculate the quasiparticle energy spectrum of SnO2 within the GW approximation, properly taking into account the contribution of core levels to the energy corrections. The calculated fundamental gap is of 3.85 eV. We propose that the difference with respect to the experimental optical gap (3.6 eV) is due to excitonic effects in the latter. We further consider the effect applied on uniaxial pressure along the c-axis. Compared to GW, the effect of pressure on the quasiparticle energies and band gap is underestimated by the local-density approximation. The quasiparticle effective masses, however, appear to be well described by the latter.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
Impact Factor: 3.411
Times cited: 23
DOI: 10.1063/1.3532109
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“Space charge limited electron emission from a Cu surface under ultrashort pulsed laser irradiation”. Wendelen W, Autrique D, Bogaerts A, AIP conference proceedings 1278, 407 (2010). http://doi.org/10.1063/1.3507129
Abstract: In this theoretical study, the electron emission from a copper surface under ultrashort pulsed laser irradiation is investigated using a one dimensional particle in cell model. Thermionic emission as well as multi-photon photoelectron emission were taken into account. The emitted electrons create a negative space charge above the target, consequently the generated electric field reduces the electron emission by several orders of magnitude. The simulations indicate that the space charge effect should be considered when investigating electron emission related phenomena in materials under ultrashort pulsed laser irradiation of metals.the word abstract, but do replace the rest of this text. ©2010 American Institute of Physics
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
DOI: 10.1063/1.3507129
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“The breakdown of Kohn's theorem in few-electron parabolic quantum dots doped with a single magnetic impurity Mn2+”. Nguyen NTT, Peeters FM, Journal of physics : conference series
T2 –, Conference on Quantum Dots 2010 (QD2010), APR 26-30, 2010, Nottingham, ENGLAND , 012031 (2010). http://doi.org/10.1088/1742-6596/245/1/012031
Abstract: The cyclotron resonance (CR) absorption spectrum is calculated for a II-VI parabolic quantum dot (QD) containing few electrons and a single magnetic dopant (Mn(2+)). We find that Kohn's theorem no longer holds for this system and that the CR spectrum depends on the number of electrons inside the QD. The electron-Mn-ion interaction strength can be tuned for example by the magnetic field and by moving the Mn-ion to different positions inside the QD. We demonstrate that due to the presence of the Mn-ion the relative motion of the electrons couple with their center-of-mass motion through the electron-Mn-ion spin-spin exchange term resulting in an electron-electron interaction dependence of the magneto-optical absorption spectrum. At the ferromagnetic-antiferromagnetic transition we observe significant discontinuities in the CR lines.
Keywords: P1 Proceeding; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Times cited: 1
DOI: 10.1088/1742-6596/245/1/012031
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“A brief history of 50 years of ICXOM”. Janssens K, , 1 (2010)
Abstract: The ICXOM series of meetings began in 1956 and for over 50 years have been conferences devoted to the topic of “X-ray microanalysis”, both for those interested in developing instrumentation and methods of analysis and for scientists mainly interested in using X-ray micro-analysers for investigations of an applied nature. This contribution surveys the ICXOM series origins, its development and trends over the years.
Keywords: P1 Proceeding; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
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“The identification of chromophores in ancient glass by the use of UV-VIS-NIR spectroscopy”. Meulebroeck W, Baert K, Wouters H, Cosyns P, Ceglia A, Cagno S, Janssens K, Nys K, Terryn H, Thienpont H, Proceedings of the Society of Photo-optical Instrumentation Engineers 7726, 77260d (2010). http://doi.org/10.1117/12.853666
Abstract: In this publication optical spectroscopy is considered to be a supplementary technique to study ancient colored glass. It results from a systematic study of the UV-VIS-NIR transmission spectra of intentionally colored glass fragments from various archaeological and historical sites and dated from the Roman period to the 21th century AD. The main goal consists of defining optical sensing parameters for this type of material. The considered colorants are iron, cobalt, manganese, copper and chromium. It is proved that many cases exist where optical spectroscopy can be seen as a straightforward, non-destructive, low-cost and in-situ applicable technique in identifying authentic material or to obtain information about the origin of the material. Possible sensing parameters are defined as the absence/presence of absorption bands characteristic for a specific coloring metal oxide and the spectral position of these bands. These parameters could reveal information about the applied furnace conditions and/or to the composition of the glass matrix. It is shown that the cobalt absorption band situated around 535 nm for soda rich glasses (Roman and industrial times) is shifted towards 526 nm for potash rich glasses (medieval and post-medieval times).
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Times cited: 10
DOI: 10.1117/12.853666
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“The use of full-field XRF for simultaneous elemental mapping”. Alfeld M, Janssens K, Sasov A, Liu X, Kostenko A, Rickers-Appel K, Falkenberg G, , 111 (2010). http://doi.org/10.1063/1.3399236
Abstract: The characteristics of a Full-Field X-ray Fluorescence (FF-XRF) set-up for element-specific imaging, installed at the HASYLAB synchrotron radiation source, were determined. A lateral resolution of 10 μm and limits of detection in the percentage range were found. Further potential developments in CCDs available for FF-XRF are discussed and the use of polycapillary lenses as image transfer optics is illustrated in some explorative experiments.
Keywords: P1 Proceeding; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Times cited: 8
DOI: 10.1063/1.3399236
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De Vis K, Jacobs P, Caen J, Janssens K (2010) The use of glass bricks in architecture in the 19th and 20th centuries : a case study. 194–201
Keywords: P2 Proceeding; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
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“Pyrolysis kinetics of bamboo material”. Potters G, Schoeters G, Tytgat T, Horvath G, Ludecke C, Cool P, Lenaerts S, Appels L, Dewil R, (2010)
Keywords: P3 Proceeding; Engineering sciences. Technology; Laboratory of adsorption and catalysis (LADCA); Sustainable Energy, Air and Water Technology (DuEL)
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“Atmospheric pollution at the Alhambra monument, Granada, Spain: a preventive conservation study”. Kontozova-Deutsch V, Horemans B, Cardell C, Van Grieken R, (2010)
Keywords: P3 Proceeding; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
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“Behavior of semi-volatile particles under a laser and electron beam: influence on the quality of analytical results”. Worobiec A, Potgieter-Vermaak S, Darchuk L, Vishnyakov V, Potgieter H, Van Grieken R, AIP conference proceedings 1267, 523 (2010). http://doi.org/10.1063/1.3482653
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Laboratory Experimental Medicine and Pediatrics (LEMP)
DOI: 10.1063/1.3482653
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“Composition of aerosols from the shelter of the Chernobyl power plant”. Darchuk L, Worobiec A, Khan V, Krasnov V, Van Grieken R, AIP conference proceedings 1267, 512 (2010). http://doi.org/10.1063/1.3482646
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Laboratory Experimental Medicine and Pediatrics (LEMP)
DOI: 10.1063/1.3482646
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“Do gaseous pollutants and particulate matter endanger our world heritage? A study in the Museum Plantin-Moretus, Antwerp”. Janssen E, Kontozova-Deutsch V, Krupińska B, Moris H, Peckstadt A, van Bos M, Watteeuw L, Van Grieken R, (2010)
Keywords: P3 Proceeding; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
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“Enthalpy model for heating, melting, and vaporization in laser ablation”. Alexiades V, Autrique D, Electronic journal of differential equations , 1 (2010)
Abstract: Laser ablation is used in a growing number of applications in various areas including medicine, archaeology, chemistry, environmental and materials sciences. In this work the heat transfer and phase change phenomena during nanosecond laser ablation of a copper (Cu) target in a helium (He) background gas at atmospheric pressure are presented. An enthalpy model is outlined, which accounts for heating, melting, and vaporization of the target. As far as we know, this is the first model that connects the thermodynamics and underlying kinetics of this challenging phase change problem in a selfconsistent way.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
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“Measuring gaseous and particulate pollutants: instruments and instrumental problems”. Rosenberg E, De Santis F, Kontozova-Deutsch V, Odlyha M, Van Grieken R, Vichi F page 115 (2010).
Keywords: H2 Book chapter; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
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“Understanding ultrafine particles dynamics within a one km urban grid”. Mishra VK, Dons E, Panis LI, Frijns E, van Poppel M, Berghmans P, Bleux N, Wuyts K, Samson R, (2010)
Keywords: P3 Proceeding; Sustainable Energy, Air and Water Technology (DuEL)
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“Voltammetric assay of anti-vertigo drug betahistine hydrochloride in sodium lauryl sulphate”. Jain R, Yadav RK, Rather JA, Colloids and surfaces: A: physicochemical and engineering aspects 366, 63 (2010). http://doi.org/10.1016/J.COLSURFA.2010.05.027
Abstract: Assay and electrochemical behaviour of betahistine hydrochloride in BrittonRobinsons (BR) buffer of pH range 2.512.0 at a glassy carbon electrode have been investigated. Addition of anionic surfactant (sodium lauryl sulphate) to the betahistine hydrochloride solution containing electrolyte enhanced the reduction current signal while neutral surfactant (Tween-20) and cationic surfactant cetyl trimethylammonium bromide (CTAB) showed an opposite effect. Voltammograms of betahistine hydrochloride exhibited a single wave. Based on reduction behaviour of betahistine hydrochloride, a direct square-wave voltammetric method has been developed for the assay of betahistine hydrochloride in pharmaceutical formulation. The proposed method has been validated as per ICH guideline. System and method precision in terms of RSD were 1.88% and 1.60% respectively, whereas the method accuracy was indicated by the recovery of 97.6101.9%. Reduction peak current was linear over the target concentration with correlation coefficient 0.998. The proposed method was successfully applied to the determination of betahistine hydrochloride in pharmaceutical formulation. The results were compared with those obtained by the reference high performance liquid chromatographic method. No significant differences were found between results of proposed and reference methods.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1016/J.COLSURFA.2010.05.027
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“Superconducting nanowires: quantum-confinement effect on the critical magnetic field and supercurrent”. Croitoru MD, Shanenko AA, Peeters FM, , 327 (2010). http://doi.org/10.1142/9789814289153_0025
Abstract: We study the effect, of electron confinement on the superconducting-to-normal phase transition driven by a magnetic field and/or on the current-carrying state of the superconducting condensate in nanowires. Our investigation is based on a self-consistent. numerical solution of the Bogoliubov-de Gennes equations. We show that, in a parallel magnetic field and/or in the presence of supercurrent the transition from superconducting to normal phase occurs as a cascade of discontinuous jumps in the superconducting order parameter for diameters D < 10 divided by 15 nm at T = 0. The critical magnetic held exhibits quantum-size oscillations with pronounced resonant enhancements.
Keywords: P1 Proceeding; Condensed Matter Theory (CMT)
DOI: 10.1142/9789814289153_0025
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“Ab initio based atomic scattering amplitudes and {002} electron structure factors of InxGa1-xAs/GaAs quantum wells”. Titantah JT, Lamoen D, Schowalter M, Rosenauer A, Journal of physics : conference series 209, 012040 (2010). http://doi.org/10.1088/1742-6596/209/1/012040
Abstract: The atomic scattering amplitudes of the various atoms of the systems Ga1−xInxAs, GaAs1−xNx and InAs1−xNx are calculated using the density functional theory (DFT) approach. The scattering amplitudes of N, Ga, As and In in the model systems are compared with the frequently used Doyle and Turner values. Deviation from the latter values is found for small scattering vectors (s<0.3Å−1) and for these scattering vectors dependence on the orientation of the scattering vector and the chemical environment is reported. We suggest a parametrization of these modified scattering amplitudes (MASAs) for small scattering vectors (s<1.0Å−1). The MASAs are exploited within zero pressure classical Metropolis Monte Carlo (MC), finite temperature calculations to investigate the effect of quantum well size on the electron {002} structure factor (SF) of Ga1−xInxAs quantum wells.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
DOI: 10.1088/1742-6596/209/1/012040
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“Ab initio calculation of the energy-loss near-edge structure of some carbon allotropes: comparison with n-diamond”. Dadsetani M, Titantah JT, Lamoen D, Diamond and related materials 19, 73 (2010). http://doi.org/10.1016/j.diamond.2009.11.004
Abstract: The energy-loss near-edge structure (ELNES) spectra of several carbon allotropes (non-hydrogenated and hydrogenated face-centered cubic (FCC) carbon, rhombohedral carbon, glitter, hexagonite and lonsdaleite) are calculated within the supercell-core-excited density functional theory approach. In particular an experimental ELNES spectrum of new diamond (n-diamond) [Konyashin et al., Diamond Relat. Mater. 10, (2001) 99102] is compared with the ELNES spectra of FCC carbon, rhombohedral carbon and the so-called glitter structure. Our calculations show that the ELNES spectrum considered in that publication cannot be that of FCC carbon.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.561
Times cited: 11
DOI: 10.1016/j.diamond.2009.11.004
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“Characterization of nickel silicides using EELS-based methods”. Verleysen E, Bender H, Richard O, Schryvers D, Vandervorst W, Journal of microscopy 240, 75 (2010). http://doi.org/10.1111/j.1365-2818.2010.03391.x
Abstract: The characterization of Ni-silicides using electron energy loss spectroscopy (EELS) based methods is discussed. A series of Ni-silicide phases is examined: Ni3Si, Ni31Si12, Ni2Si, NiSi and NiSi2. The composition of these phases is determined by quantitative core-loss EELS. A study of the low loss part of the EELS spectrum shows that both the energy and the shape of the plasmon peak are characteristic for each phase. Examination of the Ni-L edge energy loss near edge structure (ELNES) shows that the ratio and the sum of the L2 and L3 white line intensities are also characteristic for each phase. The sum of the white line intensities is used to determine the trend in electron occupation of the 3d states of the phases. The dependence of the plasmon energy on the electron occupation of the 3d states is demonstrated.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 1.692
Times cited: 11
DOI: 10.1111/j.1365-2818.2010.03391.x
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“Dispersion in the wake of a rectangular building : validation of two Reynolds-averaged Navier-Stokes modelling approaches”. Gorlé, C, van Beeck J, Rambaud P, Boundary-layer meteorology 137, 115 (2010). http://doi.org/10.1007/s10546-010-9521-0
Abstract: When modelling the turbulent dispersion of a passive tracer using Reynolds-averaged Navier-Stokes (RANS) simulations, two different approaches can be used. The first consists of solving a transport equation for a scalar, where the governing parameters are the mean velocity field and the turbulent diffusion coefficient, given by the ratio of the turbulent viscosity and the turbulent Schmidt number Sc (t) . The second approach uses a Lagrangian particle tracking algorithm, where the governing parameters are the mean velocity and the fluctuating velocity field, which is determined from the turbulence kinetic energy and the Lagrangian time T (L) . A comparison between the two approaches and wind-tunnel data for the dispersion in the wake of a rectangular building immersed in a neutral atmospheric boundary layer (ABL) is presented. Particular attention was paid to the influence of turbulence model parameters on the flow and concentration field. In addition, an approach to estimate Sc (t) and T (L) based on the calculated flow field is proposed. The results show that applying modified turbulence model constants to enable correct modelling of the ABL improves the prediction for the velocity and concentration fields when the modification is restricted to the region for which it was derived. The difference between simulated and measured concentrations is smaller than 25% or the uncertainty of the data on 76% of the points when solving the transport equation for a scalar with the proposed formulation for Sc (t) , and on 69% of the points when using the Lagrangian particle tracking with the proposed formulation for T (L) .
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.573
Times cited: 16
DOI: 10.1007/s10546-010-9521-0
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