“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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“Metals@MOFs –, loading MOFs with metal nanoparticles for hybrid functions”. Meilikhov M, Yusenko K, Esken D, Turner S, Van Tendeloo G, Fischer RA, European journal of inorganic chemistry 2010, 3701 (2010). http://doi.org/10.1002/ejic.201000473
Abstract: Metalorganic frameworks (MOFs) as well as porous coordination polymers (PCPs) are porous, organicinorganic hybrid solids with zeolite-like structures and properties. Due to their extraordinarily high surface area and well defined pore structure MOFs can be used for the stabilization of metal nanoparticles with adjustable size. The embedded metal nanoparticles are still accessible for other reagents due to the high porosity of the MOF systems. This fact makes metal@MOF systems especially interesting for heterogeneous catalysis, gas storage and chemical sensing. This review compiles the cases of metal nanoparticles supported by or embedded into MOFs reported so far and the main aspects and problems associated with these novel nanocomposite systems. The determination of the dispersion and the location of the particles at the MOF support, the control of the loading degree and its effect on the catalytic activity of the system are discussed as well as the partial degradation of the MOF structure upon particle formation. Examples of the introduction of stabilizing groups into the MOF network that direct the loading and can influence the size and shape of the embedded particles are still rare and point into the possible direction of future investigations. Finally, the formation of bimetallic nanoparticles, which are stabilized and supported by a MOF network, will also be reviewed.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.444
Times cited: 366
DOI: 10.1002/ejic.201000473
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“Fabry-Pérot resonances in graphene microstructures: influence of a magnetic field”. Masir MR, Vasilopoulos P, Peeters FM, Physical review : B : condensed matter and materials physics 82, 115417 (2010). http://doi.org/10.1103/PhysRevB.82.115417
Abstract: Fabry-Pérot resonances in the transmission through single and double, graphene-based barriers (of height V) and wells are investigated and their dependence on an applied perpendicular magnetic field. For rectangular barriers the conductance decreases with increasing magnetic field while the resonances weaken (become more pronounced) with increasing magnetic field for EF<V (EF>V). The position of the resonances exhibit a linear shift with magnetic field which move to lower (higher) energy for EF<V (EF>V). Compared to semielliptic- or Gaussian-shaped barriers they show a smaller number of resonances in the absence of a magnetic field and an overall lower conductance but the resonant structure is more pronounced. The conductance of asymmetric double barriers show two major regions of resonances while the symmetric ones show one, that of three asymmetric barriers three, and so on.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 74
DOI: 10.1103/PhysRevB.82.115417
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“Ultralow blocking temperature and breakdown of the giant spin model in Er3+-doped nanoparticles”. van den Heuvel W, Tikhomirov VK, Kirilenko D, Schildermans N, Chibotaru LF, Vanacken J, Gredin P, Mortier M, Van Tendeloo G, Moshchalkov VV, Physical review : B : condensed matter and materials physics 82, 094421 (2010). http://doi.org/10.1103/PhysRevB.82.094421
Abstract: The magnetization of luminescent Er3+-doped PbF2 nanoparticles (formula Er0.3Pb0.7F2.3) has been studied. Despite the high concentration of the doping Er3+ ions and relatively large size (8 nm) of these nanoparticles we have found no deviation between field-cooled and zero-field-cooled magnetization curves down to T=0.35 K, which points out an ultralow blocking temperature for the reversal of magnetization. We also have found strongly deviating magnetization curves M(H/T) for different temperatures T. These results altogether show that the investigated nanoparticles are not superparamagnetic, but rather each Er3+ ion in these nanoparticles is found in a paramagnetic state down to very low temperatures, which implies the breakdown of the Néel-Brown giant spin model in the case of these nanoparticles. Calculations of magnetization within a paramagnetic model of noninteracting Er3+ ions completely support this conclusion. Due to the ultralow blocking temperature, these nanoparticles have a potential for magnetic field-induced nanoscale refrigeration with an option of their optical localization and temperature control.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 3.836
Times cited: 11
DOI: 10.1103/PhysRevB.82.094421
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“Conditions defining the mechanisms of the formation of light gas ions in multicomponent laser-produced plasmas”. Khaydarov RT, Beisinbaeva HB, Sabitov MM, Kalal M, Berdiyorov GR, Nuclear fusion 50, 105007 (2010). http://doi.org/10.1088/0029-5515/50/10/105007
Abstract: Using the mass-spectrometric method we study the charge, energy and spatial characteristics of ions in multicomponent plasma, generated under the action of Nd : YAG laser radiation on the surface of solid targets. We focus on the effect of the entry form of light gas atoms on the parameters of ions in such laser-produced plasmas. We found that the presence of light gas atoms considerably affects the parameters (e.g. the intensity and the charge multiplicity) of the heavier ions.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.307
Times cited: 1
DOI: 10.1088/0029-5515/50/10/105007
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“Analytic treatment of vortex states in cylindrical superconductors in applied axial magnetic field”. Ludu A, Van Deun J, Milošević, MV, Cuyt A, Peeters FM, Journal of mathematical physics 51, 082903 (2010). http://doi.org/10.1063/1.3470767
Abstract: We solve the linear GinzburgLandau (GL) equation in the presence of a uniform magnetic field with cylindrical symmetry and we find analytic expressions for the eigenfunctions in terms of the confluent hypergeometric functions. The discrete spectrum results from an implicit equation associated to the boundary conditions and it is resolved in analytic form using the continued fractions formalism. We study the dependence of the spectrum and the eigenfunctions on the sample size and the surface conditions for solid and hollow cylindrical superconductors. Finally, the solutions of the nonlinear GL formalism are constructed as expansions in the linear GL eigenfunction basis and selected by minimization of the free energy. We present examples of vortex states and their energies for different samples in enhancing/suppressing superconductivity surroundings.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 1.077
Times cited: 10
DOI: 10.1063/1.3470767
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“Biogeochemical study of a coccolithophore bloom in the northern Bay of Biscay (NE Atlantic Ocean) in June 2004”. Harlay J, Borges AV, van der Zee C, Delille B, Godoi RHM, Schiettecatte L-S, Roevros N, Aerts K, Lapernat P-E, Rebreanu L, Groom S, Daro M-H, Van Grieken R, Chou L, Progress in oceanography 86, 317 (2010). http://doi.org/10.1016/J.POCEAN.2010.04.029
Abstract: The present paper synthesizes data obtained during a multidisciplinary cruise carried out in June 2004 at the continental margin of the northern Bay of Biscay. The data-set allows to describe the different stages of a coccolithophore bloom dominated by Emiliania huxleyi. The cruise was carried out after the main spring phytoplankton bloom that started in mid-April and peaked in mid-May. Consequently, low phosphate (PO4 < 0.2 μM) and silicate (DSi < 2.0 μM) concentrations, low partial pressure of carbon dioxide (pCO2) and high calcite saturation degree in surface waters combined with thermal stratification, probably favoured the blooming of coccolithophores. During the period of the year our cruise was carried out, internal tides induce enhanced vertical mixing at the continental shelf break leading to the injection of inorganic nutrients to surface waters that probably trigger the bloom. The bloom developed as the water-column stratified and as the water mass was advected over the continental shelf, following the general residual circulation in the area. The most developed phase of the bloom was sampled in a remote sensed high reflectance (HR) patch over the continental shelf that was characterized by low chlorophyll-a (Chl-a) concentration in surface waters (<1.0 μg L−1), high particulate inorganic carbon (PIC) concentration (not, vert, similar8 μmol L−1) and coccolithophore abundance up to 57 × 106 cells L−1. Transparent exopolymer particles (TEP) concentrations ranged between 15 and 75 μg C L−1 and carbon content of TEP represented up to 26% of the particulate organic carbon (POC; maximum concentration of 15.5 μmol L−1 in the upper 40 m). Integrated primary production (PP) ranged between 210 and 680 mg C m−2 d−1 and integrated calcification (CAL) ranged between 14 and 140 mg C m−2 d−1, within the range of PP and CAL values previously reported during coccolithophore blooms in open and shelf waters of the North Atlantic Ocean. Bacterial protein production (BPP) measurements in surface waters (0.30.7 μg C L−1 h−1) were much higher than those reported during early phases of coccolithophore blooms in natural conditions, but similar to those during peak and declining coocolithophorid blooms reported in mesocosms. Total alkalinity anomalies with respect to conservative mixing (ΔTA) down to −49 μmol kg−1 are consistent with the occurrence of biogenic precipitation of calcite, while pCO2 remained 15107 μatm lower than atmospheric equilibrium (372 μatm). The correlation between ΔTA and pCO2 suggested that pCO2 increased in part due to calcification, but this increase was insufficient to overcome the background under-saturation of CO2. This is related to the biogeochemical history of the water masses due to net carbon fixation by the successive phytoplankton blooms in the area prior to the cruise, hence, the investigated area remained a sink for atmospheric CO2 despite calcification.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1016/J.POCEAN.2010.04.029
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“Lowering of the spatial symmetry at the gamma ->alpha phase transition in cerium”. Tsvyashchenko AV, Nikolaev AV, Velichkov AI, Salamatin AV, Fomicheva LN, Ryasny GK, Sorokin AA, Kochetov OI, Budzynski M, Michel KH, Physical review : B : condensed matter and materials physics 82, 1 (2010). http://doi.org/10.1103/PhysRevB.82.092102
Abstract: Using time-differential perturbed angular correlation spectroscopy we have measured the electric field gradient (EFG) at 111Cd probe nuclei in solid Ce in a pressure range up to 8 GPa. Covering various allotropic phases of Ce, we find that the value of the EFG in the cubic α phase is almost four times larger than in the cubic γ phase and close to values in the noncubic phases α′ and α″. These results together with the differences in time modulation of the spectra are interpreted as evidence for quadrupolar electronic charge-density ordering and symmetry lowering at the γ→α transition while the lattice remains face-centered cubic
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 11
DOI: 10.1103/PhysRevB.82.092102
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“High resolution micro-XRF maps of iron oxides inside sensory dendrites of putative avian magnetoreceptors”. Falkenberg G, Fleissner GE, Fleissner GUE, Schuchardt K, Kühbacher M, Chalmin E, Janssens K, Journal of physics : conference series 186, 012084 (2009). http://doi.org/10.1088/1742-6596/186/1/012084
Abstract: Iron mineral containing sensory dendrites in the inner lining of the upper beak of homing pigeons [1] and various bird species [2] are the first candidate structures for an avian magnetic field receptor. A new concept of magnetoreception [3, 4] is based on detailed ultra-structural optical and electron microscopy analyses in combination with synchrotron radiation microscopic X-ray fluorescence analysis (micro-XRF) and microscopic X-ray absorption near edge structures (micro-XANES). Several behavioral experiments [5, 6] and first mathematical simulations [6] affirm our avian magnetoreceptor model. The iron minerals inside the dendrites are housed in three different subcellular compartments (bullets, platelets, vesicles), which could be clearly resolved and identified by electron microscopy on ultrathin sections [1, 3]. Micro-XRF and micro-XANES data obtained at HASYLAB beamline L added information about the elemental distribution and Fe speciation [3], but are averaged over the complete dendrite due to limited spatial resolution. Here we present recently performed micro-XRF maps with sub-micrometer resolution (ESRF ID21), which reveal for the first time subcellular structural information from almost bulk-like dendrite sample material. Due to the thickness of 30 μm the microarchitecture of the dendrites can be considered as undisturbed and artefacts introduced by sectioning might be widely reduced.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Times cited: 2
DOI: 10.1088/1742-6596/186/1/012084
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“Electron tunneling through double magnetic barriers on the surface of a topological insulator”. Wu Z, Peeters FM, Chang K, Physical review : B : condensed matter and materials physics 82, 115211 (2010). http://doi.org/10.1103/PhysRevB.82.115211
Abstract: We study electron tunneling through a planar magnetic and electric barrier on the surface of a three-dimensional topological insulator. For the double barrier structures, we find (i) a directional-dependent tunneling which is sensitive to the magnetic field configuration and the electric gate voltage, (ii) a spin rotation controlled by the magnetic field and the gate voltage, (iii) many Fabry-Pérot resonances in the transmission determined by the distance between the two barriers, and (iv) the electrostatic potential can enhance the difference in the transmission between the two magnetization configurations, and consequently lead to a giant magnetoresistance. Points (i), (iii), and (iv) are alike with that in graphene stemming from the same linear-dispersion relations.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 65
DOI: 10.1103/PhysRevB.82.115211
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“New perovskite-based manganite Pb2Mn2O5”. Hadermann J, Abakumov AM, Perkisas T, d' Hondt H, Tan H, Verbeeck J, Filonenko VP, Antipov EV, Van Tendeloo G, Journal of solid state chemistry 183, 2190 (2010). http://doi.org/10.1016/j.jssc.2010.07.032
Abstract: A new perovskite based compound Pb2Mn2O5 has been synthesized using a high pressure high temperature technique. The structure model of Pb2Mn2O5 is proposed based on electron diffraction, high angle annular dark field scanning transmission electron microscopy and high resolution transmission electron microscopy. The compound crystallizes in an orthorhombic unit cell with parameters a=5.736(1)Å≈√2a p p p (a p the parameter of the perovskite subcell) and space group Pnma. The Pb2Mn2O5 structure consists of quasi two-dimensional perovskite blocks separated by 1/2[110] p (1̄01) p crystallographic shear planes. The blocks are connected to each other by chains of edge-sharing MnO5 distorted tetragonal pyramids. The chains of MnO5 pyramids and the MnO6 octahedra of the perovskite blocks delimit six-sided tunnels accommodating double chains of Pb atoms. The tunnels and pyramidal chains adopt two mirror-related configurations (left L and right R) and layers consisting of chains and tunnels of the same configuration alternate in the structure according to an -LRLR-sequence. The sequence is sometimes locally violated by the appearance of -LL- or -RR-fragments. A scheme is proposed with a JahnTeller distortion of the MnO6 octahedra with two long and two short bonds lying in the ac plane, along two perpendicular orientations within this plane, forming a d-type pattern.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.299
Times cited: 8
DOI: 10.1016/j.jssc.2010.07.032
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“Giant drop in the Bardeen-Cooper-Schrieffer coherence length induced by quantum size effects in superconducting nanowires”. Shanenko AA, Croitoru MD, Vagov A, Peeters FM, Physical review : B : condensed matter and materials physics 82, 104524 (2010). http://doi.org/10.1103/PhysRevB.82.104524
Abstract: The BCS coherence length in low-dimensional superconductors is dramatically modified by quantum-size effects. In particular, for nanowires made of conventional superconducting materials, we show that the longitudinal zero-temperature coherence length exhibits width-dependent drops by 23 orders of magnitude each time when the bottom of one of single-electron subbands formed due to the transverse quantization of electron motion is situated in a close vicinity to the Fermi level. This phenomenon has strong similarities to the well-known BCS-BEC (Bose-Einstein condensation) crossover in ultracold fermionic condensates but with an important exception: it is driven by the transverse quantization of the electron motion rather than by the externally controlled strength of the fermion-fermion interaction.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 29
DOI: 10.1103/PhysRevB.82.104524
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“Electronic and dynamical properties of Si/Ge core-shell nanowires”. Peelaers H, Partoens B, Peeters FM, Physical review : B : condensed matter and materials physics 82, 113411 (2010). http://doi.org/10.1103/PhysRevB.82.113411
Abstract: Full ab initio techniques are applied to study the electronic and dynamical properties of free standing, hydrogen-passivated Si/Ge core-shell nanowires oriented along the [110] direction. All studied wires exhibit a direct band gap and are found to be structurally stable. The different contributions of the core and shell atoms to the phonon spectra are identified. The acoustic phonon velocities and the frequencies of some typical optical modes are compared with those of pure Si and Ge nanowires. These depend either on the concentration or on the type of core material. Optical modes are hardened and longitudinal acoustic velocities are softened with decreasing wire diameter.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 13
DOI: 10.1103/PhysRevB.82.113411
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“Compositional study of prehistoric pigments (Carriqueo rock shelter, Argentina) by synchrotron radiation X-ray diffraction”. Vazquez C, Martin Palacios O, Darchuk L, Marco Parra L-M, Powder diffraction 25, 264 (2010). http://doi.org/10.1154/1.3478884
Abstract: In this work synchrotron radiation X-ray diffraction technique was successfully applied for the analysis of pigments found in excavation at Carriqueo rock shelter, Neuquen, Argentina. The pigment samples of orange, red, and brown shades were collected from different levels of this archaeological site and compared with a suspected source of provenance (La Oficina creek). X-ray diffraction patterns of several yellowish, reddish, and red pigments showed the presence of haematite, goethite, kaolinite, and quartz. The majority of Carriqueo collected samples belonged to the same group of the suspected source, having haematite and quartz as main crystalline phases. The results indicate that the raw material from La Oficina is the source of most of the pigments found at Carriqueo. The present work helps us to understand the strategy of supplying raw materials by human groups in the North Patagonia region. (C) 2010 International Centre for Diffraction Data. [DOI: 10.1154/1.3478884]
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1154/1.3478884
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“Freezing vortex rivers”. Silhanek AV, Kramer RGB, van de Vondel J, Moshchalkov VV, Milošević, MV, Berdiyorov GR, Peeters FM, Luccas RF, Puig T, Physica: C : superconductivity 470, 726 (2010). http://doi.org/10.1016/j.physc.2010.02.072
Abstract: We demonstrate experimentally and theoretically that the dissipative state at high current densities of superconducting samples with a periodic array of holes consist of flux rivers resulting from a short range attractive interaction between vortices. This dynamically induced vortexvortex attraction results from the migration of quasiparticles out of the vortex core. We have directly visualized the formation of vortex chains by scanning Hall microscopy after freezing the dynamic state by a field cooling procedure at constant bias current. Similar experiments carried out in a sample without holes show no hint of flux river formation.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 1.404
Times cited: 4
DOI: 10.1016/j.physc.2010.02.072
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“The Ginzburg-Landau theory in application”. Milošević, MV, Geurts R, Physica: C : superconductivity 470, 791 (2010). http://doi.org/10.1016/j.physc.2010.02.056
Abstract: A numerical approach to GinzburgLandau (GL) theory is demonstrated and we review its applications to several examples of current interest in the research on superconductivity. This analysis also shows the applicability of the two-dimensional approach to thin superconductors and the re-defined effective GL parameter κ. For two-gap superconductors, the conveniently written GL equations directly show that the magnetic behavior of the sample depends not just on the GL parameter of two bands, but also on the ratio of respective coherence lengths.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 1.404
Times cited: 66
DOI: 10.1016/j.physc.2010.02.056
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“Vortex patterns in a superconducting-ferromagnetic rod”. Romaguera AR de C, Doria MM, Peeters FM, Physica: C : superconductivity 470, 871 (2010). http://doi.org/10.1016/j.physc.2010.02.069
Abstract: A superconducting rod with a magnetic moment on top develops vortices obtained here through 3D calculations of the GinzburgLandau theory. The inhomogeneity of the applied field brings new properties to the vortex patterns that vary according to the rod thickness. We find that for thin rods (disks) the vortex patterns are similar to those obtained in presence of a homogeneous magnetic field instead because they consist of giant vortex states. For thick rods novel patterns are obtained as vortices are curve lines in space that exit through the lateral surface.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 1.404
Times cited: 1
DOI: 10.1016/j.physc.2010.02.069
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“Unconventional dynamics of vortex shells in mesoscopic superconducting corbino disks”. Misko VR, Lin NS, Peeters FM, Physica: C : superconductivity 470, 939 (2010). http://doi.org/10.1016/j.physc.2010.02.058
Abstract: The dynamics of vortex matter in mesoscopic superconducting Corbino disk is strongly influenced by the discrete vortex structure arranged in shells. While in previous works the vortex dynamics has been studied in large (macroscopic) and in very small mesoscopic disks (containing only few shells), in the intermediate-size regime it is much more complex and unusual, due to: (i) the competition between the vortexvortex interaction and confinement and (ii) (in)commensurability among the vortex shells. We found that the interplay between these effects can result in a very unusual vortex dynamical behavior: (i) unconventional angular melting (i.e., propagating from the boundary, where the shear stress is minimum, towards the center) and (ii) unconventional dynamics of shells (i.e., the inversion of shell velocities with respect to the gradient driving force). This unusual behavior is found for different number of shells.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 1.404
Times cited: 3
DOI: 10.1016/j.physc.2010.02.058
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“Dynamics of kinematic vortices in a mesoscopic superconducting loop”. Berdiyorov GR, Milošević, MV, Peeters FM, Physica: C : superconductivity 470, 946 (2010). http://doi.org/10.1016/j.physc.2010.02.028
Abstract: Using the time-dependent GinzburgLandau formalism, we study the dynamic properties of a submicron superconducting loop in applied current and in presence of a perpendicular magnetic field. The resistive state of the sample is caused by the motion of kinematic vortexantivortex pairs. Vortices and antivortices move in opposite directions to each other, perpendicularly to the applied drive, and the periodic creation and annihilation of such pairs results in periodic oscillations of the voltage across the sample. The dynamics of these kinematic pairs is strongly influenced by the applied magnetic field, which for high fields leads to the flow of just vortices. Kinematic vortices can be temporarily pinned inside the loop with observable trace in the voltage vs. time characteristics.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 1.404
Times cited: 9
DOI: 10.1016/j.physc.2010.02.028
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“Influence of the microstructure on the high-temperature transport properties of GdBaCo2O5.5+\delta epitaxial films”. Burriel M, Casa-Cabanas M, Zapata J, Tan H, Verbeeck J, Solis C, Roqueta J, Skinner SJ, Kilner JA, Van Tendeloo G, Santiso J, Chemistry of materials 22, 5512 (2010). http://doi.org/10.1021/cm101423z
Abstract: Epitaxial thin films of GdBaCo2O5.5+δ (GBCO) grown by pulsed laser deposition have been studied as a function of deposition conditions. The variation in film structure, domain orientation, and microstructure upon deviations in the cation composition have been correlated with the charge transport properties of the films. The epitaxial GBCO films mainly consist of single- and double-perovskite regions that are oriented in different directions depending on the deposition temperature. Additionally, cobalt depletion induces the formation of a high density of stacking defects in the films, consisting of supplementary GdO planes along the c-axis of the material. The presence of such defects progressively reduces the electrical conductivity. The films closer to the stoichiometric composition have shown p-type electronic conductivity at high pO2 with values as high as 800 S/cm at 330 °C in 1 atm O2, and with a pO2 power dependence with an exponent as low as 1/25, consistent with the behavior reported for bulk GBCO. These values place GBCO thin films as a very promising material to be applied as cathodes in intermediate temperature solid oxide fuel cells.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 9.466
Times cited: 17
DOI: 10.1021/cm101423z
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“Proximity-induced pseudogap in mesoscopic superconductor/normal-metal bilayers”. Zha G-Q, Covaci L, Zhou S-P, Peeters FM, Physical review : B : condensed matter and materials physics 82, 140502 (2010). http://doi.org/10.1103/PhysRevB.82.140502
Abstract: Recent scanning tunneling microscopy (STM) measurements of the proximity effect in Au/La2−xSrxCuO4 and La1.55Sr0.45CuO4/La2−xSrxCuO4 bilayers showed a proximity-induced pseudogap [O. Yuli, I. Asulin, Y. Kalcheim, G. Koren, and O. Millo, Phys. Rev. Lett. 103, 197003 (2009)]. We describe the proximity effect in mesoscopic superconductor/normal-metal bilayers by using the Bogoliubov-de Gennes equations for a tight-binding Hamiltonian with competing antiferromagnetic and d-wave superconductivity orders. The temperature-dependent local density of states is calculated as a function of the distance from the interface. Bound state due to both d-wave and spin-density wave gaps are formed in the normal metal for energies less than the respective gaps. If there is a mismatch between the Fermi velocities in the two layers we observe that these states will shift in energy when spin-density wave order is present, thus inducing a minigap at finite energy. We conclude that the STM measurement in the proximity structures is able to distinguish between the two scenarios proposed for the pseudogap (competing or precursor to superconductivity).
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 7
DOI: 10.1103/PhysRevB.82.140502
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“Electronic and magnetic properties of superlattices of graphene/graphane nanoribbons with different edge hydrogenation”. Hernández-Nieves AD, Partoens B, Peeters FM, Physical review : B : condensed matter and materials physics 82, 165412 (2010). http://doi.org/10.1103/PhysRevB.82.165412
Abstract: Zigzag graphene nanoribbons patterned on graphane are studied using spin-polarized ab initio calculations. We found that the electronic and magnetic properties of the graphene/graphane superlattice strongly depends on the degree of hydrogenation at the interfaces between the two materials. When both zigzag interfaces are fully hydrogenated, the superlattice behaves like a freestanding zigzag graphene nanoribbon, and the magnetic ground state is antiferromagnetic. When one of the interfaces is half hydrogenated, the magnetic ground state becomes ferromagnetic, and the system is very close to being a half metal with possible spintronics applications whereas the magnetic ground state of the superlattice with both interfaces half hydrogenated is again antiferromagnetic. In this last case, both edges of the graphane nanoribbon also contribute to the total magnetization of the system. All the spin-polarized ground states are semiconducting, independent of the degree of hydrogenation of the interfaces. The ab initio results are supplemented by a simple tight-binding analysis that captures the main qualitative features. Our ab initio results show that patterned hydrogenation of graphene is a promising way to obtain stable graphene nanoribbons with interesting technological applications.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 46
DOI: 10.1103/PhysRevB.82.165412
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“A simplified quantum mechanical model for nanowire transistors based on non-linear variational calculus”. Carrillo-Nuñez H, Magnus W, Peeters FM, Journal of applied physics 108, 063708 (2010). http://doi.org/10.1063/1.3476297
Abstract: A simplified quantum mechanical model is developed to investigate quantum transport features such as the electron concentration and the current flowing through a silicon nanowire metal-oxide-semiconductor field-effect transistor (MOSFET). In particular, the electron concentration is extracted from a self-consistent solution of the Schrödinger and Poisson equations as well as the ballistic Boltzmann equation which have been solved by exploiting a nonlinear variational principle within the framework of the generalized local density approximation. A suitable action functional has been minimized and details of the implementation and its numerical minimization are given. The current density and its related current-voltage characteristics are calculated from the one-dimensional ballistic steady-state Boltzmann transport equation which is solved analytically by using the method of characteristic curves. The straightforward implementation, the computational speed and the good qualitative behavior of the transport characteristics observed in our approach make it a promising simulation method for modeling quantum transport in nanowire MOSFETs.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.068
Times cited: 7
DOI: 10.1063/1.3476297
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“Real-space simulations of spin-polarized electronic transitions in iron”. Schattschneider P, Verbeeck J, Mauchamp V, Jaouen M, Hamon A-L, Physical review : B : condensed matter and materials physics 82, 144418 (2010). http://doi.org/10.1103/PhysRevB.82.144418
Abstract: After the advent of energy-loss magnetic chiral dichroism (EMCD) in 2006, rapid progress in theoretical understanding and in experimental performance was achieved, recently demonstrating a spatial resolution of better than 2 nm. Similar to the x-ray magnetic circular dichroism technique, EMCD is used to study atom specific magnetic moments. The latest generation of electron microscopes opens the road to the mapping of spin moments on the atomic scale with this method. Here the theoretical background to reach this challenging aim is elaborated. Numerical simulations of the L3 transition in an Fe specimen, based on a combination of the density-matrix approach for inelastic electron scattering with the propagation of the probe electron in the lattice potential indicate the feasibility of single spin mapping in the electron microscope.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 3.836
Times cited: 11
DOI: 10.1103/PhysRevB.82.144418
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“Morphological transformations and fusion of PbSe nanocrystals studied using atomistic simulations”. Schapotschnikow P, van Huis MA, Zandbergen HW, Vanmaekelbergh D, Vlugt TJH, Nano letters 10, 3966 (2010). http://doi.org/10.1021/nl101793b
Abstract: Molecular dynamics simulations are performed on capped and uncapped PbSe nanocrystals, employing newly developed classical interaction potentials. Here, we show that two uncapped nanocrystals fuse efficiently via direct surface attachment, even if they are initially misaligned. In sharp contrast to the general belief, interparticle dipole interactions do not play a significant role in this oriented attachment process. Furthermore, it is shown that presumably polar, capped PbSe{111} facets are never fully Pb- or Se-terminated.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 12.712
Times cited: 59
DOI: 10.1021/nl101793b
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“Slicing the Perovskite structure with crystallographic shear planes : the AnBnO3n-2 homologous series”. Abakumov AM, Hadermann J, Batuk M, d' Hondt H, Tyablikov OA, Rozova MG, Pokholok KV, Filimonov DS, Sheptyakov DV, Tsirlin AA, Niermann D, Hemberger J, Van Tendeloo G, Antipov EV, Inorganic chemistry 49, 9508 (2010). http://doi.org/10.1021/ic101233s
Abstract: A new AnBnO3n−2 homologous series of anion-deficient perovskites has been evidenced by preparation of the members with n = 5 (Pb2.9Ba2.1Fe4TiO13) and n = 6 (Pb3.8Bi0.2Ba2Fe4.2Ti1.8O16) in a single phase form. The crystal structures of these compounds were determined using a combination of transmission electron microscopy and X-ray and neutron powder diffraction (S.G. Ammm, a = 5.74313(7), b = 3.98402(4), c = 26.8378(4) Å, RI = 0.035, RP = 0.042 for Pb2.9Ba2.1Fe4TiO13 and S.G. Imma, a = 5.7199(1), b = 3.97066(7), c = 32.5245(8) Å, RI = 0.032, RP = 0.037 for Pb3.8Bi0.2Ba2Fe4.2Ti1.8O16). The crystal structures of the AnBnO3n−2 homologues are formed by slicing the perovskite structure with (01)p crystallographic shear (CS) planes. The shear planes remove a layer of oxygen atoms and displace the perovskite blocks with respect to each other by the 1/2[110]p vector. The CS planes introduce edge-sharing connections of the transition metal−oxygen polyhedra at the interface between the perovskite blocks. This results in intrinsically frustrated magnetic couplings between the perovskite blocks due to a competition of the exchange interactions between the edge- and the corner-sharing metal−oxygen polyhedra. Despite the magnetic frustration, neutron powder diffraction and Mssbauer spectroscopy reveal that Pb2.9Ba2.1Fe4TiO13 and Pb3.8Bi0.2Ba2Fe4.2Ti1.8O16 are antiferromagnetically ordered below TN = 407 and 343 K, respectively. The Pb2.9Ba2.1Fe4TiO13 and Pb3.8Bi0.2Ba2Fe4.2Ti1.8O16 compounds are in a paraelectric state in the 5−300 K temperature range.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 4.857
Times cited: 23
DOI: 10.1021/ic101233s
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“Efficient numerical approach to inhomogeneous superconductivity: the Chebyshev-Bogoliubov-de Gennes method”. Covaci L, Peeters FM, Berciu M, Physical review letters 105, 167006 (2010). http://doi.org/10.1103/PhysRevLett.105.167006
Abstract: We propose a highly efficient numerical method to describe inhomogeneous superconductivity by using the kernel polynomial method in order to calculate the Greens functions of a superconductor. Broken translational invariance of any type (impurities, surfaces, or magnetic fields) can be easily incorporated. We show that limitations due to system size can be easily circumvented and therefore this method opens the way for the study of scenarios and/or geometries that were unaccessible before. The proposed method is highly efficient and amenable to large scale parallel computation. Although we only use it in the context of superconductivity, it is applicable to other inhomogeneous mean-field theories.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 8.462
Times cited: 80
DOI: 10.1103/PhysRevLett.105.167006
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“Biocompatibility and corrosion behavior of the shape memory NiTi alloy in the physiological environments simulated with body fluids for medical applications”. Khalil-Allafi J, Amin-Ahmadi B, Zare M, Materials science and engineering: part C: biomimetic materials 30, 1112 (2010). http://doi.org/10.1016/j.msec.2010.06.007
Abstract: Due to unique properties of NiTi shape memory alloys such as high corrosion resistance, biocompatibility, super elasticity and shape memory behavior, NiTi shape memory alloys are suitable materials for medical applications. Although TiO2 passive layer in these alloys can prevent releasing of nickel to the environment, high nickel content and stability of passive layer in these alloys are very debatable subjects. In this study a NiTi shape memory alloy with nominal composition of 50.7 atom% Ni was investigated by corrosion tests. Electrochemical tests were performed in two physiological environments of Ringer solution and NaCl 0.9% solution. Results indicate that the breakdown potential of the NiTi alloy in NaCl 0.9% solution is higher than that in Ringer solution. The results of Scanning Electron Microscope (SEM) reveal that low pitting corrosion occurred in Ringer solution compared with NaCl solution at potentiostatic tests. The pH value of the solutions increases after the electrochemical tests. The existence of hydride products in the X-ray diffraction analysis confirms the decrease of the concentration of hydrogen ion in solutions. Topographical evaluations show that corrosion products are nearly same in all samples. The biocompatibility tests were performed by reaction of mouse fibroblast cells (L929). The growth and development of cells for different times were measured by numbering the cells or statistics investigations. The figures of cells for different times showed natural growth of cells. The different of the cell numbers between the test specimen and control specimen was negligible; therefore it may be concluded that the NiTi shape memory alloy is not toxic in the physiological environments simulated with body fluids.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 4.164
Times cited: 34
DOI: 10.1016/j.msec.2010.06.007
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“Defected graphene nanoribbons under axial compression”. Neek-Amal M, Peeters FM, Applied physics letters 97, 153118 (2010). http://doi.org/10.1063/1.3496467
Abstract: The buckling of defected rectangular graphene nanoribbons when subjected to axial stress with supported boundary conditions is investigated using atomistic simulations. The buckling strain and mechanical stiffness of monolayer graphene decrease with the percentage of randomly distributed vacancies. The elasticity to plasticity transition in the stress-strain curve, at low percentage of vacancies, are found to be almost equal to the buckling strain thresholds and they decrease with increasing percentage of vacancies.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.411
Times cited: 43
DOI: 10.1063/1.3496467
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“From polyester grafting onto POSS nanocage by ring-opening polymerization to high performance polyester/POSS nanocomposites”. Goffin A-L, Duquesne E, Raquez J-M, Miltner HE, Ke X, Alexandre M, Van Tendeloo G, van Mele B, Dubois P, Journal of materials chemistry 20, 9415 (2010). http://doi.org/10.1039/c0jm00283f
Abstract: Polyester-grafted polyhedral oligomeric silsesquioxane (POSS) nanohybrids selectively produced by ring-opening polymerization of ε-caprolactone and L,L-lactide (A.-L. Goffin, E. Duquesne, S. Moins, M. Alexandre, Ph. Dubois, Eur. Polym. Journal, 2007, 43, 4103) were studied as masterbatches by melt-blending within their corresponding commercial polymeric matrices, i.e., poly(ε-caprolactone) (PCL) and poly(L,L-lactide) (PLA). For the sake of comparison, neat POSS nanoparticles were also dispersed in PCL and PLA. The objective was to prepare aliphatic polyester-based nanocomposites with enhanced crystallization behavior, and therefore, enhanced thermo-mechanical properties. Wide-angle X-ray scattering and transmission electron microscopy attested for the dispersion of individualized POSS nanoparticles in the resulting nanocomposite materials only when the polyester-grafted POSS nanohybrid was used as a masterbatch. The large impact of such finely dispersed (grafted) nanoparticles on the crystallization behavior for the corresponding polyester matrices was noticed, as evidenced by differential scanning calorimetry analysis. Indeed, well-dispersed POSS nanoparticles acted as efficient nucleating sites, significantly increasing the crystallinity degree of both PCL and PLA matrices. As a result, a positive impact on thermo-mechanical properties was highlighted by dynamic mechanical thermal analysis.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Times cited: 42
DOI: 10.1039/c0jm00283f
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