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“Band structure, density of states, and transmission in graphene bilayer superlattices”. Barbier M, Vasilopoulos P, Peeters FM, Pereira JM, AIP conference proceedings 1199, 547 (2009). http://doi.org/10.1063/1.3295550
Abstract: The energy spectrum and density of states of graphene bilayer superlattices (SLs) are evaluated. We take into account doping and/or gating of the layers as well as tunnel coupling between them. In addition, we evaluate the transmission through such SLs and through single or double barriers. The transmission exhibits a strong dependence on the direction of the incident wave vector.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
DOI: 10.1063/1.3295550
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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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“Exciton states and magnetooptical transitions in stacks of InGaAs/GaAs self-assembled quantum rings”. Tadić, M, Peeters FM, AIP conference proceedings 893, 851 (2007)
Abstract: Electron, hole, and exciton states in the stacks composed of three strained (InGa)As quantum rings were computed. We found considerable influence of strain on both the single particle and exciton spectra, while the oscillator strength for exciton recombination is reduced by the magnetic field.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
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“Influence of surface defects on the vortex transitions in mesoscopic superconductors”. Baelus BJ, Kadowaki K, Peeters FM, AIP conference proceedings 850, 745 (2006)
Abstract: Solving the nonlinear Ginzburg-Landau equations self-consistently, we investigate the influence of a triangular surface defect (i.e. pacman shaped sample) on the vortex transitions in mesoscopic superconducting disks. Depending on the size of the defect, vortices may enter/leave one by one or in pairs.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
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“Landau-level dispersion and the quantum Hall plateaus in bilayer graphene”. Zarenia M, Vasilopoulos P, Pourtolami N, Peeters FM, AIP conference proceedings 1566, 275 (2013). http://doi.org/10.1063/1.4848392
Abstract: We study the quantum Hall effect (QHE) in bilayer graphene using the Kubo-Greenwood formula. At zero temperature the Hall conductivity sigma(yx) is given by sigma(yx) – 4(N + 1)e(2)/h with N the index of the highest occupied Landau level (LL). Including the dispersion of the LLs and their width, due to e. g. scattering by impurities, produces the plateau of the n = 0 LL in agreement with experimental results on doped samples and similar theoretical results on single-layer graphene plateaus widen with impurity concentration. Further, the evaluated resistivity rho(xx) exhibits a strong, oscillatory dependence on the electron concentration. Explicit results are obtained for delta-function impurities.
Keywords: P1 Proceeding; Condensed Matter Theory (CMT)
DOI: 10.1063/1.4848392
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“Mercator maps of orientations of a C60 molecule in single-walled nanotubes with distinct radii”. Michel KH, Verberck B, Nikolaev A, AIP conference proceedings 786, 69 (2005)
Abstract: We study the confinement of a C-60 molecule encapsulated in a cylindrical nanotube as a function of the tube radius. Drawing the Mercator maps of the potential, we find two distinct molecular orientations; for tubes with small radii, R-T less than or similar to 7 angstrom, a fivefold axis of the molecule coincides with the tube long axis, for larger radii, R-T less than or similar to 8 angstrom, a threefold axis of the molecule coincides with the tube long axis. These different orientations are caused by the relative importance of the repulsive and the attractive parts of the van der Waals potentials of the molecule with the tube wall for small and large tubes respectively. Experimental evidence is provided by the apparent splitting of A(g) modes of the C-60 molecule in resonant Raman scattering.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
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“Orientational charge density waves and the metal-insulator transition in polymerized KC60”. Verberck B, Nikolaev AV, Michel KH, AIP conference proceedings 723, 339 (2004)
Abstract: Polymerized KC60 undergoes a structural phase transition accompanied by a metal-insulator transition around 50 K. To explain the structural aspect, a mechanism involving small orientational deviations of the valence electron density on every C-60 monomer orientational charge density waves (OCDWs) – has already been proposed earlier. In the present work, we address the metal-insulator transition using the OCDW concept. We are inspired by the analogy between a polymer chain exhibiting an OCDW and a linear atomic chain undergoing a static lattice deformation doubling the unit cell: such a deformation implies a band gap at the zone boundary, yielding an insulating state (Peierls instability). Within our view, a similar mechanism occurs in polymerized KC60; the OCDW plays the role of the lattice deformation. We present tight-binding band structure calculations and conclude that the metal-insulator transition can indeed be explained using OCDWs, but that the threedimensionality of the crystal plays an unexpected key role.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
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“Phonon band structures of Si nanowires”. Peelaers H, Partoens B, Peeters FM, AIP conference proceedings 1199, 323 (2009). http://doi.org/10.1063/1.3295432
Abstract: We present full ab initio calculations of the phonon band structure of thin Si nanowires oriented along the [110] direction. Using these phonon dispersion relations we investigate the structural stability of these wires. We found that all studied wires were stable also when doped with either B or P, if the unit cell was taken sufficiently large along the wire axis. The evolution of the phonon dispersion relations and of the sound velocities with respect to the wire diameters is discussed. Softening is observed for acoustic modes and hardening for optical phonon modes with increasing wire diameters.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
DOI: 10.1063/1.3295432
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“Reentrant melting of a classical two-dimensional binary cluster”. Nelissen K, Heytens L, Schweigert VA, Peeters FM, AIP conference proceedings 799, 347 (2005)
Abstract: A system of classical charged particles interacting through a dipole repulsive potential, which are confined in a two-dimensional hardwall trap, is studied. The cluster consists of 16 particles, together with 4 defect particles. The technique of Brownian dynamics is used to simulate experimental binary colloidal systems [1]. The melting properties and the reentrant behavior of the system, which was studied before for clusters of identical particles [2], are studied for the binary mixture. The defect particles, which have a smaller charge than the other particles, stabilize the cluster, melt at a higher value of the coupling parameter F as compared to the other particles and have a strong influence on the melting properties of the other particles.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
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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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“Square-wave conductance through a chain of rings due to spin-orbit interaction”. Molnar B, Vasilopoulos P, Peeters FM, AIP conference proceedings 772, 1335 (2005)
Abstract: We study ballistic electron transport through a finite chain of quantum circular rings in the presence of spin-orbit interaction (SOI) of strength alpha. The transmission and reflection coefficients for a single ring, obtained analytical lylead to the conductance for a chain of rings as a function of alpha and of the wave vector k of the incident electron. Due to destructive spin interferences the chain can be totaly opaque for certain ranges of k the width of which depends on the value of alpha. A periodic modulation of a widens up the gaps considerably and produces a nearly binary conductance output.
Keywords: P1 Proceeding; Condensed Matter Theory (CMT)
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“TXM-NEXAFS of TiO2-based nanostructures”. Guttmann P, Bittencourt C, Ke X, Van Tendeloo G, Umek P, Arcon D, Ewels CP, Rehbein S, Heim S, Schneider G, AIP conference proceedings 1365, 437 (2011). http://doi.org/10.1063/1.3625396
Abstract: In this work, electronic properties of individual TiOx-pristine nanoribbons (NR) prepared by hydrothermal treatment of anatase TiO(2) micro-particles were studied using the HZB transmission x-ray microscope (TXM) at the BESSY II undulator beamline U41-FSGM. NEXAFS is ideally suited to study TiO(2)-based materials because both the O K-edge and Ti L-edge features are very sensitive to the local bonding environment, providing diagnostic information about the crystal structures and oxidation states of various forms of titanium oxides and sub-oxides. TXM-NEXAFS combines full-field x-ray microscopy with spectroscopy, allowing the study of the electronic structure of individual nanostructures with spatial resolution better than 25 nm and a spectral resolution of up to E/Delta E = 10000. The typical image field in TXM-NEXAFS measurements is about 10 mu m. 10 mu m, which is large compared to the individual nanoparticle. Therefore, one image stack already contains statistically significant data. In addition, the directional electric field vector ((E) over bar) of the x-rays can be used as a “search tool” for the direction of chemical bonds of the atom selected by its absorption edge.
Keywords: P1 Proceeding; Electron microscopy for materials research (EMAT)
Times cited: 2
DOI: 10.1063/1.3625396
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“Confocal mu-XRF, mu-XAFS, and mu-XRD studies of sediment from a nuclear waste disposal natural analogue site and fractured granite following a radiotracer migration experiment”. Denecke MA, Janssens K, Brendebach B, de Nolf W, Falkenberg G, Rothe J, Simon R, Somogyi A, Vekemans B, Noseck U, AIP conference proceedings 882, 187 (2007)
Abstract: Combined mu-XRF, mu-XAFS, and mu-XRD investigations of a uranium-rich tertiary sediment, from a nuclear repository natural analogue site, and a fractured granite bore core section after a column tracer experiment using a Np(V) containing cocktail have been performed. Most mu-XRF/mu-XAFS measurements are recorded in a confocal geometry to provide added depth information. The U-rich sediment results show uranium to be present as a tetravalent phosphate and that U(IV) is associated with As(V). Arsenic present is either As(V) or As(0). The As(0) form thin coatings on the surface of pyrite nodules. A hypothesis for the mechanism of uranium immobilization is proposed, where arsenopyrite acted as reductant of ground water dissolved U(VI) leading to precipitation of less soluble U(IV) and thereby forming As(V). Results for the granite sample show the immobilized Np to be tetravalent and associated with facture material.
Keywords: A1 Journal article; 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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“Proton tunneling and nonlinear polarizability effects in hydrogen-bonded ferroelectrics”. Bussmann-Holder A, Michel KH, AIP conference proceedings
T2 –, 5th Williamsburg Workshop on 1st-Principles Calculations for, Ferroelectrics, FEB 01-04, 1998, WILLIAMSBURG, VA , 202 (1998)
Abstract: Hydrogen-bonded ferroelectrics are modelled by a coupled spin/nonlinear lattice (polarizability) interaction Hamiltonian, where specifically the geometry of the hydrogen bond is included. The model leads to a structural phase transition and describes correctly the isotope effect due to the substitution H/D in hydrogen-bonded systems in terms of bond length changes.
Keywords: P1 Proceeding; Condensed Matter Theory (CMT)
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“Characterization and modeling of single-particle energy levels and resonant currents in a coherent quantum dot mixer”. Austing DG, Payette C, Yu G, Gupta JA, Aers GC, Nair SV, Partoens B, Amaha S, Tarucha S, AIP conference proceedings
T2 –, 30th International Conference on the Physics of Semiconductors (ICPS-30), JUL 25-30, 2010, Seoul, SOUTH KOREA , 1 (2011). http://doi.org/10.1063/1.3666692
Abstract: We characterize and model the single-particle energy level position and resonant current strength at a three-level crossing in a coherent mixer composed of two weakly coupled vertical quantum dots. In addition to clear anticrossing behavior, an otherwise strong resonance is completely extinguished at the center of the crossing. Despite the strong variation in energy level position and resonant current strength throughout the crossing region, the resonance widths and the sum of the branch currents are found to be approximately constant.
Keywords: P1 Proceeding; Condensed Matter Theory (CMT)
DOI: 10.1063/1.3666692
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“Graphene-based quantum wires”. Pereira JM Jr, Mlinar V, Peeters FM, Vasilopoulos P, AIP conference proceedings
T2 –, 28th International Conference on the Physics of Semiconductors (ICPS-28), JUL 24-28, 2006, Vienna, AUSTRIA , 721 (2007)
Abstract: We investigate the properties of carriers in graphene-based quantum wires created by potential barriers, by means of analytical and numerical calculations. We obtain expressions for the energy spectrum as a function of barrier height, well width and linear momentum along the wire. The results demonstrate a direction-dependent resonant transmission across the potential well.
Keywords: P1 Proceeding; Condensed Matter Theory (CMT)
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“Different temperature dependence of the phase boundary for multivortex and giant vortex states in mesoscopic superconductors”. Baelus BJ, Kanda A, Peeters FM, Ootuka Y, Kadowaki, AIP conference proceedings
T2 –, 24th International Conference on Low Temperature Physics (LT24), AUG 10-17, 2005, Orlando, FL , 743 (2006)
Abstract: Within the framework of the nonlinear Ginzburg-Landau theory, we calculated the full phase diagram for a superconducting disk with radius R = 4 (T = 0) and we studied the behavior of the penetration and expulsion fields as a function of temperature for multivortex and giant vortex states.
Keywords: P1 Proceeding; Condensed Matter Theory (CMT)
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“Experimental distinction between giant vortex and multivortex states in mesoscopic superconductors”. Kanda A, Baelus BJ, Peeters FM, Kadowaki K, Ootuka Y, AIP conference proceedings
T2 –, 24th International Conference on Low Temperature Physics (LT24), AUG 10-17, 2005, Orlando, FL , 739 (2006)
Abstract: We describe an experimental distinction between giant vortex and multivortex states in mesoscopic superconducting disks by using two methods: the multiple-small-tunnel-junction method and the temperature dependence of vortex expulsion fields. The experimental results are in good agreement with the theoretical simulations based on the non-linear Ginzburg-Landau theory.
Keywords: P1 Proceeding; Condensed Matter Theory (CMT)
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“Ab initio approach to superexchange interactions in alkali doped fullerides AC60”. Nikolaev AV, Michel KH, AIP conference proceedings
T2 –, 18th International Winterschool/Euroconference on Electronic Properties, of Novel Materials, MAR 06-JUN 13, 2004, Kirchberg, AUSTRIA , 393 (2004). http://doi.org/10.1063/1.1812115
Abstract: The superexchange interactions between the fullerenes arise as a result of the electron transfer from the C-60 molecule to the alkali atom and back. We present a scheme, which is a configuration interaction approach based on the valence bond (Heitler-London) method. The effect of superexchange is described together with chemical bonding by constructing and solving a secular equation, rather than by using a perturbation treatment. We have considered 180degrees and 90degrees superexchange for the C-60 Cs-C-60 pathways. The calculations account for unusual electronic properties of polymer orthorhombic and quenched cubic phases of CsC60: two lines in nuclear magnetic resonance experiments, the development of a spin-singlet ground state and a decrease of magnetic susceptibility as T-->0.
Keywords: P1 Proceeding; Condensed Matter Theory (CMT)
DOI: 10.1063/1.1812115
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“Electron diffraction of nanotubes bundles : unique helicity and tube-tube atomically coherent packing”. Colomer J-F, Henrard L, Lambin P, Van Tendeloo G, AIP conference proceedings
T2 –, 16th International Winterschool on Electronic Properties of Novel, Materials, MAR 02-09, 2002, KIRCHBERG, AUSTRIA , 314 (2002). http://doi.org/10.1063/1.1514131
Abstract: The atomic structure of single-wall carbon nanotube bundles produced by three different techniques has been characterized by electron diffraction and microscopy. Small bundles produced by Catalytical Chemical Vapor Deposition (CCVD) exhibit only one or two tube chiralities within a single bundle while bundles produced by arc-discharge or laser-ablation exhibit more chiralities. A detailed analysis of the central line of diffraction is also presented. The CCVD nanotubes present more intense spots around 1.7 Angstrom(-1) < k < 2Angstrom(-1) (k is the momentum transfer) compared to what is observed for nanotubes produced by other methods. Amongst the possible explanation for such an anomaly, we put forward that in this range of momentum transfer, the relative tube orientations and translations are important for what concerns the interpretation of the diffraction peaks intensities.
Keywords: P1 Proceeding; Electron microscopy for materials research (EMAT)
DOI: 10.1063/1.1514131
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“Molecular terms and optical transitions of C60n+/- molecular ions”. Nikolaev AV, Michel KH, AIP conference proceedings
T2 –, 16th International Winterschool on Electronic Properties of Novel, Materials, MAR 02-09, 2002, KIRCHBERG, AUSTRIA , 417 (2002)
Abstract: We have studied the molecular energy terms of the hole configurations (h(u)(+))(m), m=2,3,4,5 of C-60(m+) cations and the electronic configurations (t(1u))(n) n=2,3,4, as well as (t(1u))(n-1)t(1g) of the C-60(n-) anions. The lowest terms (within an energy span of 0.03 eV) for C-60(2+) are three triplets T-3(1g), (3)G(g), T-3(2g) and for C-60(3+) are three quartets T-4(1u), (4)G(u), T-4(2u), which favor Jahn-Teller distortions. For the ground state of C-60(2-) we find a triplet T-3(1g) in agreement with Hund's rules. Our method takes into account intramolecular direct and exchange multipolar Coulomb interactions.
Keywords: P1 Proceeding; Condensed Matter Theory (CMT)
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“Atmospheric aerosols in the Asian part of the former Soviet Union”. Van Grieken R, Jaenicke R, Koutsenogii KP, Khodzher TV, Kulipanov GN, AIP conference proceedings
T2 –, 15th International Conference on Nucleation and Atmospheric Aerosols, (ICNAA), August 06-11, 2000, Univ. Missouri Rolla, Rolla, MO 534, 740 (2000)
Abstract: The paper presents the results of the study of atmospheric aerosols in the Siberian region. This research was focused on studying the chemical and biological characteristics of both natural and pollution aerosols in this vast territory of the Asian part of the former Soviet Union (FSU). The data received within the frame of this project formed the basis for the evaluation of the impact of these aerosols on the Arctic region and the global climate. The Asian part of FSU is of scientific interest in the context of environmental chemistry, air pollution and study of atmospheric aerosols, The specific relevance of aerosol research in Siberia is as follows. There are areas that are very remote from industrial or densely populated centres, In these circumstances, aerosol characterization contributes to the definition of global continental “background”) or “baseline” aerosol, i.e, the aerosol which should occur in natural circumstances and on which all pollution is superimposed. Recently, in the context of global and long-term climatic changes, baseline aerosols and long-range transport of particulate air pollutants have become a topic of much debate, This is because it has been thought that aerosols might compensate for the well-known greenhouse effect to a significant. In this context, more and more attention is being paid to long-range effects of continental aerosols on the polar regions. Research in Norway and Alaska showed that Western or Central Siberia may be a very important source of pollutants affecting the air composition in the Arctic region. Cities and regions in south Siberia are enormously polluted by heavy metals, the level of pollution being many times higher than in the Western world, thus the health of local population is seriously affected. In most cases, gigantic point sources are in the area, which is simple from the viewpoint of environmental chemistry and unambiguous results should be obtained easily. Atmospheric deposition is a possible cause of the existence of heavy metals in the southern part of Lake Baikal. in the northern part of the lake, the environment is unpolluted. However in the southern part of the lake is considerably threatened by pollution from Baikalsk wood-pulp mill and industrial enterprises of Irkutsk, Angarsk,
Keywords: P1 Proceeding; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
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“A 2D model of a gliding arc discharge for CO2conversion”. Paunska T, Trenchev G, Bogaerts A, Kolev S, AIP conference proceedings
T2 –, 10th Jubilee Conference of the Balkan-Physical-Union (BPU), AUG 26-30, 2018, Sofia, BULGARIA (2019). http://doi.org/10.1063/1.5091186
Abstract: The study presents a 2D fluid plasma model of a gliding arc discharge for dissociation of CO2 which allows its subsequent conversion into value-added chemicals. The model is based on the balance equations of charged and neutral particles, the electron energy balance equation, the gas thermal balance equation and the current continuity equation. By choosing the modeling domain to be the plane perpendicular to the arc current, the numerical calculations are significantly simplified. Thus, the model allows us to explore the influence of the gas instabilities (turbulences) on the energy efficiency of CO2 conversion. This paper presents results for plasma parameters at different values of the effective turbulent thermal conductivity leading to enhanced energy transport.
Keywords: P1 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
DOI: 10.1063/1.5091186
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“Adaptively time stepping the stochastic Landau-Lifshitz-Gilbert equation at nonzero temperature: Implementation and validation in MuMax3”. Leliaert J, Mulkers J, De Clercq J, Coene A, Dvornik M, Van Waeyenberge B, AIP advances 7, 125010 (2017). http://doi.org/10.1063/1.5003957
Abstract: Thermal fluctuations play an increasingly important role in micromagnetic research relevant for various biomedical and other technological applications. Until now, it was deemed necessary to use a time stepping algorithm with a fixed time step in order to perform micromagnetic simulations at nonzero temperatures. However, Berkov and Gorn have shown in [D. Berkov and N. Gorn, J. Phys.: Condens. Matter,14, L281, 2002] that the drift term which generally appears when solving stochastic differential equations can only influence the length of the magnetization. This quantity is however fixed in the case of the stochastic Landau-Lifshitz-Gilbert equation. In this paper, we exploit this fact to straightforwardly extend existing high order solvers with an adaptive time stepping algorithm. We implemented the presented methods in the freely available GPU-accelerated micromagnetic software package MuMax3 and used it to extensively validate the presented methods. Next to the advantage of having control over the error tolerance, we report a twenty fold speedup without a loss of accuracy, when using the presented methods as compared to the hereto best practice of using Heun’s solver with a small fixed time step.
Keywords: A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Impact Factor: 1.568
Times cited: 13
DOI: 10.1063/1.5003957
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“Atomic-scale identification of novel planar defect phases in heteroepitaxial YBa2Cu3O7-\delta thin films”. Gauquelin N, Zhang H, Zhu G, Wei JYT, Botton GA, AIP advances 8, 055022 (2018). http://doi.org/10.1063/1.5011761
Abstract: We have discovered two novel types of planar defects that appear in heteroepitaxial YBa2Cu3O7-delta(YBCO123) thin films, grown by pulsed-laser deposition (PLD) either with or without a La2/3Ca1/3MnO3 (LCMO) overlayer, using the combination of highangle annular dark-field scanning transmission electron microscopy (HAADF-STEM) imaging and electron energy loss spectroscopy (EELS) mapping for unambiguous identification. These planar lattice defects are based on the intergrowth of either a BaO plane between two CuO chains or multiple Y-O layers between two CuO2 planes, resulting in non-stoichiometric layer sequences that could directly impact the high-Tc superconductivity. (C) 2018 Author(s).
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 1.568
Times cited: 1
DOI: 10.1063/1.5011761
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“Design and simulation of plasmonic interference-based majority gate”. Doevenspeck J, Zografos O, Gurunarayanan S, Lauwereins R, Raghavan P, Sorée B, AIP advances 7, 065116 (2017). http://doi.org/10.1063/1.4989817
Abstract: Major obstacles in current CMOS technology, such as the interconnect bottleneck and thermal heat management, can be overcome by employing subwavelength-scaled light in plasmonic waveguides and devices. In this work, a plasmonic structure that implements the majority (MAJ) gate function is designed and thoroughly studied through simulations. The structure consists of three merging waveguides, serving as the MAJ gate inputs. The information of the logic signals is encoded in the phase of transmitted surface plasmon polaritons (SPP). SPPs are excited at all three inputs and the phase of the output SPP is determined by theMAJof the input phases. The operating dimensions are identified and the functionality is verified for all input combinations. This is the first reported simulation of a plasmonic MAJ gate and thus contributes to the field of optical computing at the nanoscale. (C) 2017 Author(s).
Keywords: A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
DOI: 10.1063/1.4989817
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“Atomistic model of the anisotropic response of ortho-Mo₂C to indentation”. Espinosa IMP, Karaaslan Y, Sevik C, Martini A, AIP advances 13, 065125 (2023). http://doi.org/10.1063/5.0150030
Abstract: Molybdenum carbide has various applications for which studying the material using classical molecular dynamics simulations would be valuable. Here, we develop an empirical potential within the Tersoff formalism using particle swarm optimization for the orthorhombic phase of Mo2C. The developed potential is shown to predict lattice constants, elastic properties, and equation of state results that are consistent with current and previously reported results from experiments and first principles calculations. We demonstrate the potential with simulations of indentation using multiple indenter sizes that load and unload in three different directions relative to the crystallographic lattice of orthorhombic Mo2C. Direction-dependent force-displacement trends are analyzed and explained in terms of the spatial distributions of stress and strain within the material during indentation. This study reveals the anisotropic elasticity of orthorhombic Mo2C and, more generally, provides researchers with a new empirical potential that can be used to explore the properties and behavior of the material going forward.
Keywords: A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
DOI: 10.1063/5.0150030
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“Towards fully electrically controlled domain-wall logic”. Vermeulen BB, Raymenants E, Pham VT, Pizzini S, Sorée B, Wostyn K, Couet S, Nguyen VD, Temst K, AIP advances 14, 025030 (2024). http://doi.org/10.1063/9.0000811
Abstract: Utilizing magnetic tunnel junctions (MTJs) for write/read and fast spin-orbit-torque (SOT)-driven domain-wall (DW) motion for propagation, enables non-volatile logic and majority operations, representing a breakthrough in the implementation of nanoscale DW logic devices. Recently, current-driven DW logic gates have been demonstrated via magnetic imaging, where the Dzyaloshinskii-Moriya interaction (DMI) induces chiral coupling between perpendicular magnetic anisotropy (PMA) regions via an in-plane (IP) oriented region. However, full electrical operation of nanoscale DW logic requires electrical write/read operations and a method to pattern PMA and IP regions compatible with the fabrication of PMA MTJs. Here, we study the use of a Hybrid Free Layer (HFL) concept to combine an MTJ stack with DW motion materials, and He+ ion irradiation to convert the stack from PMA to IP. First, we investigate the free layer thickness dependence of 100-nm diameter HFL-MTJ devices and find an optimal CoFeB thickness, from 7 to 10 angstrom, providing high tunneling magnetoresistance (TMR) readout and efficient spin-transfer torque (STT) writing. We then show that high DMI materials, like Pt/Co, can be integrated into an MTJ stack via interlayer exchange coupling with the CoFeB free layer. In this design, DMI values suitable for SOT-driven DW motion are measured by asymmetric bubble expansion. Finally, we demonstrate that He+ irradiation reliably converts the coupled free layers from PMA to IP. These findings offer a path toward the integration of fully electrically controlled DW logic circuits.
Keywords: A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
DOI: 10.1063/9.0000811
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