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“Structural aspects and antiferromagnetic ordering in the “123&rdquo, derivative LnSr2Cu2Ga1-xFexO7-\delta (Ln = Y, Ho)”. Rykov A, Caignaert V, Van Tendeloo G, Greneche JM, Studer F, Nguyen N, Ducouret A, Bonville P, Raveau B, Journal of solid state chemistry 113, 94 (1994)
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.133
Times cited: 9
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“The structural investigation of Ba4Bi3F17”. Dombrovski EN, Serov TV, Abakumov AM, Ardashnikova EI, Dolgikh VA, Van Tendeloo G, Journal of solid state chemistry 177, 312 (2004). http://doi.org/10.1016/j.jssc.2003.08.022
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.299
Times cited: 9
DOI: 10.1016/j.jssc.2003.08.022
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“Structural properties and melting of a quasi-one dimensional classical Wigner crystal”. Piacente G, Schweigert IV, Betouras JJ, Peeters FM, Solid state communications 128, 57 (2003). http://doi.org/10.1016/S0038-1098(03)00647-1
Abstract: The structural and melting properties of a quasi-one dimensional system of charged particles, interacting through a screened Coulomb potential are investigated. Depending on the density and the screening length, the system crystallizes in different lattice structures. The structural phase transitions between them are of first or second order. The melting of the system is studied through Monte Carlo simulations and reentrant behavior as a function of density is observed as well as evidence of anisotropic melting. (C) 2003 Published by Elsevier Ltd.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 1.554
Times cited: 9
DOI: 10.1016/S0038-1098(03)00647-1
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“Structures in textured Cu-Al-Ni shape memory thin films grown by sputtering”. Espinoza Torres C, Condó, AM, Haberkorn N, Zelaya E, Schryvers D, Guimpel J, Lovey FC, Materials characterization 96, 256 (2014). http://doi.org/10.1016/j.matchar.2014.08.005
Abstract: The structure and texture formation in CuAlNi thin films of different thicknesses (1 μm to 5 μm) grown by DC magnetron sputtering without any intentional heating of the substrate are reported. The as-grown films present grains with an average size of 20 nm. The films with thickness of 1 μm have a single metastable phase with a hexagonal structure and are textured with planes (0002) parallel to the plane of the films. It was observed that thicker films present phase coexistence between metastable hexagonal and body centered cubic structures with a gradual increment of the body centered cubic phase fraction. The films with thickness of 5 μm are textured with planes (0002) and View the MathML source101¯0 in the hexagonal structure, whereas in the body centered cubic structure the films are textured with {110} planes parallel to the plane of the films. This fact can be associated with self-heating of the substrate during the growth of the films and with the relative stability of the metastable phases. Free standing films annealed in a second step (1123 K for 1 h) present austenitic phase with L21 structure and sub-micrometric grains textured with {220}L21 planes parallel to the plane of the films. The martensitic transformation temperature was determined from the analysis of resistance against temperature measurements.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.714
Times cited: 9
DOI: 10.1016/j.matchar.2014.08.005
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“Superconductivity and microstructure of YSr2Cu3O6.875”. Lebedev OI, Van Tendeloo G, Licci F, Gilioli E, Gauzzi A, Prodi A, Marezio M, Physical review : B : condensed matter and materials physics 66, 132510 (2002). http://doi.org/10.1103/PhysRevB.66.132510
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 3.836
Times cited: 9
DOI: 10.1103/PhysRevB.66.132510
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“Synthesis and characterization of oxygen-deficient oxides BaCo1-xYxO3-y' x = 0.15, 0.25 and 0.33, with the perovskite structure”. Lomakov MV, Istomin SY, Abakumov AM, Van Tendeloo G, Antipov EV, Solid state ionics 179, 1885 (2008). http://doi.org/10.1016/j.ssi.2008.05.004
Abstract: Oxygen-deficient complex cobalt oxides BaCo1 − xYxO3 − y, = 0.15, 0.25 and 0.33, with a cubic perovskite structure have been synthesized in air at 1100 °C using a citrate route. Cation composition of the compounds was confirmed by energy-dispersed X-ray (EDX) microanalysis while oxygen content was determined by iodometric titration. An electron diffraction (ED) study of the x = 0.25 and 0.33 compositions show the presence of a diffuse intensity, indicating possible short-range ordering of the B cations. It was found that the treatment of BaCo0.75Y0.25O2.55 in a humid atmosphere leads to the absorption of water vapour at the first stage. Oxygen permeation studies of the ceramic membranes of BaCo0.75Y0.25O2.55 and BaCo0.67Y0.33O2.55 with variable thickness showed high oxygen fluxes of 0.170.32 µmol/cm2/s at 950 °C.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.354
Times cited: 9
DOI: 10.1016/j.ssi.2008.05.004
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“Synthesis and characterization of photoreactive TiO2carbon nanosheet composites”. Kurttepeli M, Deng S, Verbruggen SW, Guzzinati G, Cott DJ, Lenaerts S, Verbeeck J, Van Tendeloo G, Detavernier C, Bals S, The journal of physical chemistry: C : nanomaterials and interfaces 118, 21031 (2014). http://doi.org/10.1021/jp5067499
Abstract: We report the atomic layer deposition of titanium dioxide on carbon nanosheet templates and investigate the effects of postdeposition annealing in a helium environment using different characterization techniques. The crystallization of the titanium dioxide coating upon annealing is observed using in situ X-ray diffraction. The (micro)structural characterization of the films is carried out by scanning electron microscopy and advanced transmission electron microscopy techniques. Our study shows that the annealing of the atomic layer deposition processed and carbon nanosheets templated titanium dioxide layers in helium environment resulting in the formation of a porous, nanocrystalline and photocatalytically active titanium dioxide-carbon nanosheet composite film. Such composites are suitable for photocatalysis and dye-sensitized solar cells applications.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Sustainable Energy, Air and Water Technology (DuEL)
Impact Factor: 4.536
Times cited: 9
DOI: 10.1021/jp5067499
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“Terahertz radiation from oscillating electrons in laser-induced wake fields”. Cao L-H, Yu W, Xu H, Zheng C-Y, Liu Z-J, Li B, Bogaerts A, Physical review : E : statistical physics, plasmas, fluids, and related interdisciplinary topics 70, 046408 (2004). http://doi.org/10.1103/PhysRevE.70.046408
Abstract: Strong terahertz (1THz=1012Hz) radiation can be generated by the electron oscillation in fs-laser-induced wake fields. The interaction of a fs-laser pulse with a low-density plasma layer is studied in detail using numerical simulations. The spatial distribution and temporal evolution of terahertz electron current developed in a low-density plasma layer are presented, which enables us to calculate the intensity distribution of THz radiation. It is shown that laser and plasma parameters, such as laser intensity, pulse width, and background plasma density, are of key importance to the process. The optimum condition for wake-field excitation and terahertz emission is discussed upon the simulation results. Radiation peaked at 6.4 THz, with 900 fs duration and 9% bandwidth, can be generated in a plasma of density 5×1017cm−3. It turns out that the maximum radiation intensity scales as n03a04 when wake field is resonantly excited, where n0 and a0 are, respectively, the plasma density and the normalized field amplitude of the laser pulse.
Keywords: A1 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.366
Times cited: 9
DOI: 10.1103/PhysRevE.70.046408
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“LiZnNb4O11.5 : a novel oxygen deficient compound in the Nb-rich part of the Li2O-ZnO-Nb2O5 system”. Morozov VA, Arakcheeva AV, Konovalova VV, Pattison P, Chapuis G, Lebedev OI, Fomichev VV, Van Tendeloo G, Journal of solid state chemistry 183, 408 (2010). http://doi.org/10.1016/j.jssc.2009.12.008
Abstract: A novel lithium zinc niobium oxide LiZnNb(4)O(11.5) (LZNO) has been found in the Nb-rich part of Li(2)O-ZnO-Nb(2)O(5) system. LZNO, with an original alpha-PbO(2) related structure, has been synthesized by the routine ceramic technique and characterized by X-ray diffraction and transmission electron microscopy (TEM). Reflections belonging to the LZNO phase, observed in X-ray powder diffraction (XRPD) and electron diffraction, have been indexed as monoclinic with unit cell parameters a=17.8358(9)angstrom, b=15.2924(7)angstrom, c=5.0363(3)angstrom and gamma=96.607(5)degrees or as alpha-PbO(2)-like with lattice constants a=4.72420(3)angstrom, b=5.72780(3)angstrom, c=5.03320(3)angstrom, gamma=90.048(16)degrees and modulation vector q=0.3a*+1.1b* indicating a commensurately modulated alpha-PbO(2) related structure. The monoclinic cell is a supercell related to the latter. Using synchrotron powder diffraction data, the structure has been solved and refined as a commensurate modulation (superspace group P112(1)/n(alpha beta 0)00) as well as a supercell (space group P2(1)/b). The superspace description allows us to consider the LZNO structure as a member of the proposed alpha-PbO(2)-Z (3 + 1)D structure type, which unifies both incommensurately and commensurately modulated structures. HRTEM reveals several types of defects in LZNO and structural models for these defects are proposed. Two new phases in Li(2)O-ZnO-Nb(2)O(5) system are predicted on the basis of this detailed HRTEM analysis. (C) 2009 Elsevier Inc. All rights reserved.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.299
Times cited: 9
DOI: 10.1016/j.jssc.2009.12.008
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“[SrF0.8(OH)0.2]2.526[Mn6O12]: columnar rock-salt fragments inside the todorokite-type tunnel structure”. Abakumov AM, Hadermann J, Van Tendeloo G, Kovba ML, Skolis YY, Mudretsova SN, Antipov EV, Volkova OS, Vasiliev AN, Tristan N, Klingeler R, Büchner B, Chemistry of materials 19, 1181 (2007). http://doi.org/10.1021/cm062508s
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 9.466
Times cited: 9
DOI: 10.1021/cm062508s
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“The Cooper problem in nanoscale : enhancement of the coupling due to confinement”. Croitoru MD, Vagov A, Shanenko AA, Axt VM, Superconductor science and technology 25, 124001 (2012). http://doi.org/10.1088/0953-2048/25/12/124001
Abstract: In 1956 Cooper demonstrated (1956 Phys. Rev. 104 1189) that, no matter how weak the attraction is, two electrons in three-dimensional (3D) space just above the Fermi sea could be bound. In this work we investigate the influence of confinement on the binding energy of a Cooper pair. We show that confinement-induced modification of the Fermi sea results in a significant increase of the binding energy, when the bottom of an energy subband is very close to the Fermi surface.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.878
Times cited: 9
DOI: 10.1088/0953-2048/25/12/124001
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“Theoretical investigation of grain size tuning during prolonged bias-enhanced nucleation”. Eckert M, Mortet V, Zhang L, Neyts E, Verbeeck J, Haenen ken, Bogaerts A, Chemistry of materials 23, 1414 (2011). http://doi.org/10.1021/cm102481y
Abstract: In this paper, the effects of prolonged bias-enhanced nucleation (prolonged BEN) on the growth mechanisms of diamond are investigated by molecular dynamics (MD) and combined MD-Metropolis Monte Carlo (MD-MMC) simulations. First, cumulative impacts of CxHy+ and Hx+ on an a-C:H/nanodiamond composite were simulated; second, nonconsecutive impacts of the dominant ions were simulated in order to understand the observed phenomena in more detail. As stated in the existing literature, the growth of diamond structures during prolonged BEN is a process that takes place below the surface of the growing film. The investigation of the penetration behavior of CxHy+ and Hx+ species shows that the carbon-containing ions remain trapped within this amorphous phase where they dominate mechanisms like precipitation of sp3 carbon clusters. The H+ ions, however, penetrate into the crystalline phase at high bias voltages (>100 V), destroying the perfect diamond structure. The experimentally measured reduction of grain sizes at high bias voltage, reported in the literature, might thus be related to penetrating H+ ions. Furthermore, the CxHy+ ions are found to be the most efficient sputtering agents, preventing the build up of defective material.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 9.466
Times cited: 9
DOI: 10.1021/cm102481y
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“Three-dimensional modeling of a direct current glow discharge in argon: is it better than one-dimensional modeling?”.Bogaerts A, Gijbels R, Fresenius' journal of analytical chemistry 359, 331 (1997). http://doi.org/10.1007/s002160050582
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Times cited: 9
DOI: 10.1007/s002160050582
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“Transmission electron microscopy study of combined precipitation of Ti2Ni(Pd) and Ti2Pd(Ni) in a Ti50Ni30Pd20 alloy”. Delville R, Schryvers D, Intermetallics 18, 2353 (2010). http://doi.org/10.1016/j.intermet.2010.08.006
Abstract: We report a new mode of precipitation in a B19 martensitic Ti50Ni30Pd20 shape memory alloy consisting of a central Ti2Ni(Pd) precipitate surrounded by an austenite area containing Ti2Pd(Ni) precipitates. The morphology and crystallography of the precipitation area is investigated using conventional and high resolution electron microscopy. In particular, the orientation relationship and the coherency strain between the Ti2Pd(Ni) precipitate and the surrounding retained B2 matrix are discussed. A study of local composition in relation with a ternary phase diagram using X-ray energy dispersive spectroscopy with a nanoprobe gives evidences of the formation mechanism.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 3.14
Times cited: 9
DOI: 10.1016/j.intermet.2010.08.006
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“Triple ion beam cutting of diamond/Al composites for interface characterization”. Ji G, Tan Z, Shabadi R, Li Z, Grünewald W, Addad A, Schryvers D, Zhang D, Materials characterization 89, 132 (2014). http://doi.org/10.1016/j.matchar.2014.01.008
Abstract: A novel triple ion beam cutting technique was employed to prepare high-quality surfaces of diamond/Al composites for interfacial characterization, which has been unachievable so far. Near-perfect and artifact-free surfaces were obtained without mechanical pre-polishing. Hence, the as-prepared surfaces are readily available for further study and also, ready to be employed in a focus ion beam system for preferential selection of transmission electron microscopy samples. Dramatically different diamond/Al interface configurations – sub-micrometer Al2O3 particles and clean interfaces were unambiguously revealed.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.714
Times cited: 9
DOI: 10.1016/j.matchar.2014.01.008
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“Two-dimensional binary clusters in a hard-wall trap: structural and spectral properties”. Yang W, Kong M, Milošević, MV, Zeng Z, Peeters FM, Physical review E 76, art.041404:part 1 (2007). http://doi.org/10.1103/PhysRevE.76.041404
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.366
Times cited: 9
DOI: 10.1103/PhysRevE.76.041404
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“Two New Arsenides, Eu7Cu44As23 and Sr7Cu44As23, With a New Filled Variety of the BaHg11 Structure”. Charkin DO, Demchyna R, Prots Y, Borrmann H, Burkhardt U, Schwarz U, Schnelle W, Plokhikh IV, Kazakov SM, Abakumov AM, Batuk D, Verchenko VY, Tsirlin AA, Curfs C, Grin Y, Shevelkov AV;, Inorganic chemistry 53, 11173 (2014). http://doi.org/10.1021/ic5017615
Abstract: Two new ternary arsenides, namely, Eu7Cu44As23 and Sr7Cu44As23, were synthesized from elements at 800 degrees C. Their crystal structure represents a new filled version of the BaHg11 motif with cubic voids alternately occupied by Eu(Sr) and As atoms, resulting in a 2 x 2 x 2 superstructure of the aristotype: space group Fm (3) over barm, a = 16.6707(2) angstrom and 16.7467(2) angstrom, respectively. The Eu derivative exhibits ferromagnetic ordering below 17.5 K. In agreement with band structure calculations both compounds are metals, exhibiting relatively low thermopower, but high electrical and low thermal conductivity.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 4.857
Times cited: 9
DOI: 10.1021/ic5017615
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“Ultra-small metallic grains : effect of statistical fluctuations of the chemical potential on superconducting correlations and vice versa”. Croitoru MD, Shanenko AA, Kaun CC, Peeters FM, Journal of physics : condensed matter 24, 275701 (2012). http://doi.org/10.1088/0953-8984/24/27/275701
Abstract: Superconducting correlations in an isolated metallic grain are governed by the interplay between two energy scales: the mean level spacing delta and the bulk pairing gap Delta(0), which are strongly influenced by the position of the chemical potential with respect to the closest single-electron level. In turn superconducting correlations affect the position of the chemical potential. Within the parity projected BCS model we investigate the probability distribution of the chemical potential in a superconducting grain with randomly distributed single-electron levels. Taking into account statistical fluctuations of the chemical potential due to the pairing interaction, we find that such fluctuations have a significant impact on the critical level spacing delta(c) at which the superconducting correlations cease: the critical ratio delta(c)/Delta(0) at which superconductivity disappears is found to be increased.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.649
Times cited: 9
DOI: 10.1088/0953-8984/24/27/275701
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“Vortex configurations with non-monotonic interaction”. Zhao HJ, Misko VR, Peeters FM, Physica: C : superconductivity 479, 130 (2012). http://doi.org/10.1016/j.physc.2011.12.033
Abstract: The pattern formation of the vortex states with non-monotonic inter-vortex interaction is investigated. Our applied model has a short-range repulsive (r < r(c)) and long-range attractive (r > r(c)) potential. We numerically calculate the stable states using molecular-dynamics simulations. The obtained vortex patterns are comparable with the vortices states in low kappa type-II superconductors and recently discovered "type-1.5'' superconductors. We also analyze the nearest neighbor distribution of the obtained patterns. (C) 2012 Published by Elsevier B.V.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 1.404
Times cited: 9
DOI: 10.1016/j.physc.2011.12.033
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“Wet-STEM tomography : principles, potentialities and limitations”. Masenelli-Varlot K, Malchere A, Ferreira J, Heidari Mezerji H, Bals S, Messaoudi C, Garrido SM, Microscopy and microanalysis 20, 366 (2014). http://doi.org/10.1017/S1431927614000105
Abstract: The characterization of biological and inorganic materials by determining their three-dimensional structure in conditions closer to their native state is a major challenge of technological research. Environmental scanning electron microscopy (ESEM) provides access to the observation of hydrated samples in water environments. Here, we present a specific device for ESEM in the scanning transmission electron microscopy mode, allowing the acquisition of tilt-series suitable for tomographic reconstructions. The resolution which can be obtained with this device is first determined. Then, we demonstrate the feasibility of tomography on wet materials. The example studied here is hydrophilic mesoporous silica (MCM-41). Finally, the minimum thickness of water which can be detected is calculated from Monte Carlo simulations and compared with the resolution expected in the tomograms.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 1.891
Times cited: 9
DOI: 10.1017/S1431927614000105
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“Wigner distribution functions for complex dynamical systems : a path integral approach”. Sels D, Brosens F, Magnus W, Physica: A : theoretical and statistical physics 392, 326 (2013). http://doi.org/10.1016/j.physa.2012.09.007
Abstract: Starting from Feynmans Lagrangian description of quantum mechanics, we propose a method to construct explicitly the propagator for the Wigner distribution function of a single system. For general quadratic Lagrangians, only the classical phase space trajectory is found to contribute to the propagator. Inspired by Feynmans and Vernons influence functional theory we extend the method to calculate the propagator for the reduced Wigner function of a system of interest coupled to an external system. Explicit expressions are obtained when the external system consists of a set of independent harmonic oscillators. As an example we calculate the propagator for the reduced Wigner function associated with the CaldeiraLegett model.
Keywords: A1 Journal article; Theory of quantum systems and complex systems; Condensed Matter Theory (CMT)
Impact Factor: 2.243
Times cited: 9
DOI: 10.1016/j.physa.2012.09.007
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“Work-function modification of Au and Ag surfaces upon deposition of self-assembled monolayers : influence of the choice of the theoretical approach and the thiol decomposition scheme”. Cornil D, Li H, Wood C, Pourtois G, Bredas J-L, Cornil J, ChemPhysChem : a European journal of chemical physics and physical chemistry 14, 2939 (2013). http://doi.org/10.1002/cphc.201300450
Abstract: We have characterized theoretically the work-function modifications of the (111) surfaces of gold and silver upon deposition of self-assembled monolayers based on methanethiol and trifluoromethanethiol. A comparative analysis is made between the experimental results and those obtained from two widely used approaches based on density functional theory. The contributions to the total work-function modifications are estimated on the basis of two decomposition schemes of the thiol molecules that have been proposed in the literature. The contributions are found to differ significantly between the two approaches, as do the corresponding adsorption energies.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.075
Times cited: 9
DOI: 10.1002/cphc.201300450
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“Yukawa particles confined in a channel and subject to a periodic potential : ground state and normal modes”. Carvalho JCN, Ferreira WP, Farias GA, Peeters FM, Physical review : B : condensed matter and materials physics 83, 094109 (2011). http://doi.org/10.1103/PhysRevB.83.094109
Abstract: We consider a classical system of two-dimensional (2D) charged particles, interacting through a repulsive Yukawa potential exp(-r/λ)/r, and confined in a parabolic channel that limits the motion of the particles in the y direction. Along the x direction, the particles are subject to a periodic potential. The ground-state configurations and the normal-mode spectra of the system are obtained as a function of the periodicity and strength of the periodic potential (V0) and density. An interesting set of tunable ground-state configurations are found, with first- or second-order structural transitions between them. A configuration with particles aligned, perpendicular to the x direction, in each minimum of the periodic potential is obtained for V0 larger than some critical value that has a power-law dependence on the density. The phonon spectrum of different configurations was also calculated. A localization of the modes into a small frequency interval is observed for sufficiently large strength of the periodic potential, and a tunable gap in the phonon spectrum is found as a function of V0.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 9
DOI: 10.1103/PhysRevB.83.094109
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“Effect of doping and elastic properties in (Mn,Fe)2(Si,P)”. Roy P, Torun E, de Groot RA, Physical review B 93, 094110 (2016). http://doi.org/10.1103/PhysRevB.93.094110
Abstract: Mixed magnetism (the coexistence of strong and weak magnetism in one material) is regarded as the origin of the giant magnetocaloric effect (GMCE). A good example is (Mn,Fe)(2)(Si,P), which is established as one of the best magnetocaloric materials available. Tuning the material properties are essential for optimizing its performance, and a straightforward way to do that is by doping. In this article, an ab initio electronic structure method was used to calculate the structure and magnetic properties of 3d-transition-metal-doped (Mn,Fe)(2)(Si,P) materials for magnetocaloric applications (transition metals are Cr, Co, Mn, Ni, Cu). For a steady performance, the material should be mechanically stable. A detailed analysis of the elastic constants shows that the mechanical stability of the (Mn,Fe)(2)(Si,P) system increases significantly by doping with boron without affecting the magnetic properties. Insights of the influence of doping enable future studies to understand and predict bettermagnetocaloric materials.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 9
DOI: 10.1103/PhysRevB.93.094110
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“Full-zone spectral envelope function formalism for the optimization of line and point tunnel field-effect transistors”. Verreck D, Verhulst AS, Van de Put M, Sorée B, Magnus W, Mocuta A, Collaert N, Thean A, Groeseneken G, Journal of applied physics 118, 134502 (2015). http://doi.org/10.1063/1.4931890
Abstract: Efficient quantum mechanical simulation of tunnel field-effect transistors (TFETs) is indispensable to allow for an optimal configuration identification. We therefore present a full-zone 15-band quantum mechanical solver based on the envelope function formalism and employing a spectral method to reduce computational complexity and handle spurious solutions. We demonstrate the versatility of the solver by simulating a 40 nm wide In0.53Ga0.47As lineTFET and comparing it to p-n-i-n configurations with various pocket and body thicknesses. We find that the lineTFET performance is not degraded compared to semi-classical simulations. Furthermore, we show that a suitably optimized p-n-i-n TFET can obtain similar performance to the lineTFET. (C) 2015 AIP Publishing LLC.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.068
Times cited: 9
DOI: 10.1063/1.4931890
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“On the manifestation of phosphorus-vacancy complexes in epitaxial Si:P films”. Dhayalan SK, Kujala J, Slotte J, Pourtois G, Simoen E, Rosseel E, Hikavyy A, Shimura Y, Iacovo S, Stesmans A, Loo R, Vandervorst W;, Applied physics letters 108, 082106 (2016). http://doi.org/10.1063/1.4942605
Abstract: In situ doped epitaxial Si: P films with P concentrations > 1 x 10(21) at./cm(3) are suitable for source-drain stressors of n-FinFETs. These films combine the advantages of high conductivity derived from the high P doping with the creation of tensile strain in the Si channel. It has been suggested that the tensile strain developed in the Si: P films is due to the presence of local Si3P4 clusters, which however do not contribute to the electrical conductivity. During laser annealing, the Si3P4 clusters are expected to disperse resulting in an increased conductivity while the strain reduces slightly. However, the existence of Si3P4 is not proven. Based on first-principles simulations, we demonstrate that the formation of vacancy centered Si3P4 clusters, in the form of four P atoms bonded to a Si vacancy, is thermodynamically favorable at such high P concentrations. We suggest that during post epi-growth annealing, a fraction of the P atoms from these clusters are activated, while the remaining part goes into interstitial sites, thereby reducing strain. We corroborate our conjecture experimentally using positron annihilation spectroscopy, electron spin resonance, and Rutherford backscattering ion channeling studies. (C) 2016 AIP Publishing LLC.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.411
Times cited: 9
DOI: 10.1063/1.4942605
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“Phonon limited superconducting correlations in metallic nanograins”. Croitoru MD, Shanenko AA, Vagov A, Milošević, MV, Axt VM, Peeters FM, Scientific reports 5, 16515 (2015). http://doi.org/10.1038/srep16515
Abstract: Conventional superconductivity is inevitably suppressed in ultra-small metallic grains for characteristic sizes smaller than the Anderson limit. Experiments have shown that above the Anderson limit the critical temperature may be either enhanced or reduced when decreasing the particle size, depending on the superconducting material. In addition, there is experimental evidence that whether an enhancement or a reduction is found depends on the strength of the electronphonon interaction in the bulk. We reveal how the strength of the e-ph interaction interplays with the quantum-size effect and theoretically obtain the critical temperature of the superconducting nanograins in excellent agreement with experimental data. We demonstrate that strong e-ph scattering smears the peak structure in the electronic density-of-states of a metallic grain and enhances the electron mass, and thereby limits the highest T-c achievable by quantum confinement.
Keywords: A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Impact Factor: 4.259
Times cited: 9
DOI: 10.1038/srep16515
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“Pb2MnTeO6 double perovskite : an antipolar anti-ferromagnet”. Retuerto M, Skiadopoulou S, Li MR, Abakumov AM, Croft M, Ignatov A, Sarkar T, Abbett BM, Pokorný, J, Savinov M, Nuzhnyy D, Prokleška J, Abeykoon M, Stephens PW, Hodges JP, Vaněk P, Fennie CJ, Rabe KM, Kamba S, Greenblatt M;, Inorganic chemistry 55, 4320 (2016). http://doi.org/10.1021/acs.inorgchem.6b00054
Abstract: Pb2MnTeO6, a new double perovskite, was synthesized. Its crystal structure was determined by synchrotron X-ray and powder neutron diffraction. Pb2MnTeO6 is monoclinic (I2/m) at room temperature with a regular arrangement of all the cations in their polyhedra. However, when the temperature is lowered to similar to 120 K it undergoes a phase transition from I2/m to C2/c structure. This transition is accompanied by a displacement of the Pb atoms from the center of their polyhedra due to the 6s2 lone-pair electrons, together with a surprising off-centering of Mn2+ (d5) magnetic cations. This strong first-order phase transition is also evidenced by specific heat, dielectric, Raman, and infrared spectroscopy measurements. The magnetic characterizations indicate an anti-ferromagnetic (AFM) order below TN approximate to 20 K; analysis of powder neutron diffraction data confirms the magnetic structure with propagation vector k = (0 1 0) and collinear AFM spins. The observed jump in dielectric permittivity near similar to 150 K implies possible anti-ferroelectric behavior; however, the absence of switching suggests that Pb2MnTeO6 can only be antipolar. First-principle calculations confirmed that the crystal and magnetic structures determined are locally stable and that anti-ferroelectric switching is unlikely to be observed in Pb2MnTeO6.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 4.857
Times cited: 9
DOI: 10.1021/acs.inorgchem.6b00054
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“Ion Clouds in the Inductively Coupled Plasma Torch: A Closer Look through Computations”. Aghaei M, Lindner H, Bogaerts A, Analytical chemistry 88, 8005 (2016). http://doi.org/10.1021/acs.analchem.6b01189
Abstract: We have computationally investigated the introduction of copper elemental particles in an inductively coupled plasma torch connected to a sampling cone, including for the first time the ionization of the sample. The sample is inserted as liquid particles, which are followed inside the entire torch, i.e., from the injector inlet up to the ionization and reaching the sampler. The spatial position of the ion clouds inside the torch as well as detailed information on the copper species fluxes at the position of the sampler orifice and the exhausts of the torch are provided. The effect of on- and off-axis injection is studied. We clearly show that the ion clouds of on-axis injected material are located closer to the sampler with less radial diffusion. This guarantees a higher transport efficiency through the sampler cone. Moreover, our model reveals the optimum ranges of applied power and flow rates, which ensure the proper position of ion clouds inside the torch, i.e., close enough to the sampler to increase the fraction that can enter the mass spectrometer and with minimum loss of material toward the exhausts as well as a sufficiently high plasma temperature for efficient ionization.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 6.32
Times cited: 9
DOI: 10.1021/acs.analchem.6b01189
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“The corrosion process of sterling silver exposed to a Na2S solution: monitoring and characterizing the complex surface evolution using a multi-analytical approach”. Schalm O, Crabbé, A, Storme P, Wiesinger R, Gambirasi A, Grieten E, Tack P, Bauters S, Kleber C, Favaro M, Schryvers D, Vincze L, Terryn H, Patelli A, Applied Physics A-Materials Science &, Processing 122, 903 (2016). http://doi.org/10.1007/s00339-016-0436-6
Abstract: Many historical ‘silver’ objects are composed of sterling silver, a silver alloy containing small amounts of copper. Besides the dramatic impact of copper on the corrosion process, the chemical composition of the corrosion layer evolves continuously. The evolution of the surface during the exposure to a Na2S solution was monitored by means of visual observation at macroscopic level, chemical analysis at microscopic level and analysis at the nanoscopic level. The corrosion process starts with the preferential oxidation of copper, forming mixtures of oxides and sulphides while voids are being created beneath the corrosion layer. Only at a later stage, the silver below the corrosion layer is consumed. This results in the formation of jalpaite and at a later stage of acanthite. The acanthite is found inside the corrosion layer at the boundaries of jalpaite grains and as individual grains between the jalpaite grains but also as a thin film on top of the corrosion layer. The corrosion process could be described as a sequence of 5 subsequent surface states with transitions between these states.
Keywords: A1 Journal article; Electron Microscopy for Materials Science (EMAT);
Impact Factor: 1.455
Times cited: 9
DOI: 10.1007/s00339-016-0436-6
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