“Coupled cation and charge ordering in the CaMn306 tunnel structure”. Hadermann J, Abakumov AM, Gillie LJ, Martin C, Hervieu M, Chemistry of materials 18, 5530 (2006). http://doi.org/10.1021/cm0618998
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 9.466
Times cited: 33
DOI: 10.1021/cm0618998
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“Corrosion rate estimations of microscale zerovalent iron particles via direct hydrogen production measurements”. Velimirovic M, Carniato L, Simons Q, Schoups G, Seuntjens P, Bastiaens L, Journal of hazardous materials 270, 18 (2014). http://doi.org/10.1016/J.JHAZMAT.2014.01.034
Abstract: In this study, the aging behavior of microscale zerovalent iron (mZVI) particles was investigated by quantifying the hydrogen gas generated by anaerobic mZVI corrosion in batch degradation experiments. Granular iron and nanoscale zerovalent iron (nZVI) particles were included in this study as controls. Firstly, experiments in liquid medium (without aquifer material) were performed and revealed that mZV1 particles have approximately a 10-30 times lower corrosion rate than nZVI particles. A good correlation was found between surface area normalized corrosion rate (R-SA) and reaction rate constants (K-SA) of PCE, TCE, cDCE and 1,1,1-TCA. Generally, particles with higher degradation rates also have faster corrosion rates, but exceptions do exists. In a second phase, the hydrogen evolution was also monitored during batch tests in the presence of aquifer material and real groundwater. A 4-9 times higher corrosion rate of mZV1 particles was observed under the natural environment in comparison with the aquifer free artificial condition, which can be attributed to the low pH of the aquifer and its buffer capacity. A corrosion model was calibrated on the batch experiments to take into account the inhibitory effects of the corrosion products (dissolved iron, hydrogen and OH-) on the iron corrosion rate. (C) 2014 Elsevier B.V. All rights reserved.
Keywords: A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
DOI: 10.1016/J.JHAZMAT.2014.01.034
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“Corrigendum: Structural phase transition at the percolation threshold in epitaxial (La0.7Ca0.3MnO3)1-x:(MgO)x nanocomposite films”. Moshnyaga V, Damaschke B, Shapoval O, Belenchuk A, Faupel J, Lebedev OI, Verbeeck J, Van Tendeloo G, Mücksch M, Tsurkan V, Tidecks R, Samwer K, Nature materials 4, 104 (2005)
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 39.737
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“Correlation between the nanocrystalline Sm(Fe,Mo)12 and its out of equilibrium phase Sm(Fe,Mo)10”. Khazzan S, Bessais L, Van Tendeloo G, Mliki N, Journal of magnetism and magnetic materials 363, 125 (2014). http://doi.org/10.1016/j.jmmm.2014.03.030
Abstract: Nanostructured Sm-Fe-Mo semi-hard magnetic material exhibiting enhanced magnetic properties can be produced by ball milling followed by recrystallization. Milled samples were annealed for 30 min in a vacuum at different temperatures (T-A) between 700 and 1190 degrees C. The effects of heat treatment and Mo content on structural and magnetic property changes have been investigated by means of X-ray diffraction using the Rietvekl method, transmission electron microscopy and magnetic measurements. For samples annealed at T-A > 900 degrees C the tetragonal ThMn12-type structure is identified, while for 700 < T-A < 900 degrees C a new out of equilibrium P6/mmm type structure was found as the major phase. This novel nanocrystalline phase has never been synthesized before. The correspondent stoichiometry is determined on the basis of the vacancy model. The Rietveld analysis gives a stoichiometry ratio equal to 1:10, for the out of equilibrium hexagonal phase, which is described with three crystallographic transition metal sites: 3g is fully occupied, 61 occupation is limited to hexagons surrounding the Fe dumbbell pairs 2e. We have performed a magnetic and structural study of nanocrystalline metastable P6/mrnm Sm(Fe1-xMo)(10), correlated with structural transformation towards its equilibrium derivative 14/mrnm Sm(Fe1-xMo)(12). A maximum of the coercive field H-C (H-C > 5 kOe) has been observed for the new hexagonal P6/rnmm phase suggesting that nanocrystalline Sm(Fe,Mo)(10), is a semi hard material, and is potential candidate for magnetic recording. (C) 2014 Elsevier B.V. All rights reserved.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.63
Times cited: 6
DOI: 10.1016/j.jmmm.2014.03.030
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“Correlation between electrons and vortices in quantum dots”. Tavernier MB, Anisimovas E, Peeters FM, Physical review : B : condensed matter and materials physics 70, 155321 (2004). http://doi.org/10.1103/PhysRevB.70.155321
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 26
DOI: 10.1103/PhysRevB.70.155321
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“Correlated many-electron states in a quantum dot containing a single magnetic impurity”. Nguyen NTT, Peeters FM, Physical review : B : condensed matter and materials physics 76, 045315 (2007). http://doi.org/10.1103/PhysRevB.76.045315
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 17
DOI: 10.1103/PhysRevB.76.045315
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“Correlated few-particle states in artificial bipolar molecule”. Anisimovas E, Peeters FM, Physical review : B : condensed matter and materials physics 65, 233302 (2002). http://doi.org/10.1103/PhysRevB.65.233302
Abstract: We investigate the ground and excited states of a bipolar artificial molecule composed of two vertically coupled quantum dots containing different type of carriers-electrons and holes-in equilibrium. The approach based on exact diagonalization is used and reveals an intricate pattern of ground-state angular momentum switching and a rearrangement of approximate single-particle levels as a function of the interdot coupling strength.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 14
DOI: 10.1103/PhysRevB.65.233302
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“Convergence of quasiparticle band structures of Si and Ge nanowires in the GW approximation and the validity of scissor shifts”. Peelaers H, Partoens B, Giantomassi M, Rangel T, Goossens E, Rignanese G-M, Gonze X, Peeters FM, Physical review : B : condensed matter and materials physics 83, 045306 (2011). http://doi.org/10.1103/PhysRevB.83.045306
Abstract: Starting from fully converged density-functional theory calculations, the quasiparticle corrections are calculated for different sized Si and Ge nanowires using the GW approximation. The effectiveness of recently developed techniques in speeding up the convergence of the quasiparticle calculations is demonstrated. The complete quasiparticle band structures are also obtained using an interpolation technique based on maximallylocalized Wannier functions. From the quasiparticle results, we assess the correctness of the commonly applied scissor-shift correction. Dispersion changes are observed, which are also reflected in changes in the effective band masses calculated taking into account quasiparticle corrections.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 18
DOI: 10.1103/PhysRevB.83.045306
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“Controlling the interfacial conductance in LaAlO3/SrTiO3 in 90 degrees off-axis sputter deposition”. Yin C, Krishnan D, Gauquelin N, Verbeeck J, Aarts J, Physical review materials 3, 034002 (2019). http://doi.org/10.1103/PHYSREVMATERIALS.3.034002
Abstract: We report on the fabrication of conducting interfaces between LaAlO3 and SrTiO3 by 90 degrees off-axis sputtering in an Ar atmosphere. At a growth pressure of 0.04 mbar the interface is metallic, with a carrier density of the order of 1 x 10(13) cm(-2) at 3 K. By increasing the growth pressure, we observe an increase of the out-of-plane lattice constants of the LaAlO3 films while the in-plane lattice constants do not change. Also, the low-temperature sheet resistance increases with increasing growth pressure, leading to an insulating interface when the growth pressure reaches 0.10 mbar. We attribute the structural variations to an increase of the La/Al ratio, which also explains the transition from metallic behavior to insulating behavior of the interfaces. Our research shows that the control which is furnished by the Ar pressure makes sputtering as versatile a process as pulsed laser deposition, and emphasizes the key role of the cation stoichiometry of LaAlO3 in the formation of the conducting interface.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.926
Times cited: 4
DOI: 10.1103/PHYSREVMATERIALS.3.034002
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“Controlled precipitation in a new Al-Mg-Sc alloy for enhanced corrosion behavior while maintaining the mechanical performance”. Krishnamurthy SC, Arseenko M, Kashiwar A, Dufour P, Marchal Y, Delahaye J, Idrissi H, Pardoen T, Mertens A, Simar A, Materials characterization 200, 112886 (2023). http://doi.org/10.1016/J.MATCHAR.2023.112886
Abstract: The hot working of 5xxx series alloys with Mg ≥3.5 wt% is a concern due to the precipitation of β (Al3Mg2) phase at grain boundaries favoring Inter Granular Corrosion (IGC). The mechanical and corrosion properties of a new 5028-H116 Al-Mg-Sc alloy under various β precipitates distribution is analyzed by imposing different cooling rates from the hot forming temperature (i.e. 325 °C). The mechanical properties are maintained regardless of the heat treatment. However, the different nucleation sites and volume fractions of β precipitates for different cooling rates critically affect IGC. Controlled furnace cooling after the 325 °C heat treatment is ideal in 5028-H116 alloy to reduce susceptibility to IGC after sensitization.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 4.7
DOI: 10.1016/J.MATCHAR.2023.112886
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“Controlled lateral anisotropy in correlated manganite heterostructures by interface-engineered oxygen octahedral coupling”. Liao Z, Huijben M, Zhong Z, Gauquelin N, Macke S, Green RJ, Van Aert S, Verbeeck J, Van Tendeloo G, Held K, Sawatzky GA, Koster G, Rijnders G, Nature materials 15, 425 (2016). http://doi.org/10.1038/nmat4579
Abstract: Controlled in-plane rotation of the magnetic easy axis in manganite heterostructures by tailoring the interface oxygen network could allow the development of correlated oxide-based magnetic tunnelling junctions with non-collinear magnetization, with possible practical applications as miniaturized high-switching-speed magnetic random access memory (MRAM) devices. Here, we demonstrate how to manipulate magnetic and electronic anisotropic properties in manganite heterostructures by engineering the oxygen network on the unit-cell level. The strong oxygen octahedral coupling is found to transfer the octahedral rotation, present in the NdGaO3 (NGO) substrate, to the La2/3Sr1/3MnO3 (LSMO) film in the interface region. This causes an unexpected realignment of the magnetic easy axis along the short axis of the LSMO unit cell as well as the presence of a giant anisotropic transport in these ultrathin LSMO films. As a result we possess control of the lateral magnetic and electronic anisotropies by atomic-scale design of the oxygen octahedral rotation.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 39.737
Times cited: 273
DOI: 10.1038/nmat4579
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“Controlled formation of amine-templated mesostructured zirconia with remarkably high thermal stability”. Cassiers K, Linssen T, Aerts K, Cool P, Lebedev O, Van Tendeloo G, van Grieken R, Vansant EF, Journal of materials chemistry 13, 3033 (2003). http://doi.org/10.1039/b310200a
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Times cited: 26
DOI: 10.1039/b310200a
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“Controlled Alloying of Au@Ag Core–Shell Nanorods Induced by Femtosecond Laser Irradiation”. González‐Rubio G, Díaz‐Núñez P, Albrecht W, Manzaneda‐González V, Bañares L, Rivera A, Liz‐Marzán LM, Peña‐Rodríguez O, Bals S, Guerrero‐Martínez A, Advanced Optical Materials , 2002134 (2021). http://doi.org/10.1002/adom.202002134
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 6.875
Times cited: 10
DOI: 10.1002/adom.202002134
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“Continuous structural transitions in quasi-one-dimensional classical Wigner crystals”. Piacente G, Hai GQ, Peeters FM, Physical review : B : condensed matter and materials physics 81 (2010). http://doi.org/10.1103/PhysRevB.81.024108
Abstract: We study the structural phase transitions in confined systems of strongly interacting particles. We consider infinite quasi-one-dimensional systems with different pairwise repulsive interactions in the presence of an external confinement following a power law. Within the framework of Landaus theory, we find the necessary conditions to observe continuous transitions and demonstrate that the only allowed continuous transition is between the single- and the double-chain configurations and that it only takes place when the confinement is parabolic. We determine analytically the behavior of the system at the transition point and calculate the critical exponents. Furthermore, we perform Monte Carlo simulations and find a perfect agreement between theory and numerics.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 37
DOI: 10.1103/PhysRevB.81.024108
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“Confocal μ-XRF depth analysis of paint layers”. Šmit Ž, Janssens K, Proost K, Langus I, Nuclear instruments and methods in physics research: B: beam interactions with materials and atoms 219, 35 (2004). http://doi.org/10.1016/J.NIMB.2004.01.024
Abstract: Focused narrow-band beam of the synchrotron radiation was used for in-depth analysis of historic and modern paint layers. The fluorescent radiation induced by 21 keV impact radiation was detected by a Si(Li) detector equipped with a polycapillary X-ray lens in con-focal geometry. Scanning of the sample was performed by a motorized xyz stage. Space resolution of 30 ìm was achieved. The procedure of evaluation of concentrations was based on the independent parameter method and included absorption of radiation in the outer layers and secondary fluorescence enhancement induced by hard X-rays of the same and neighboring layers.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Impact Factor: 1.109
Times cited: 69
DOI: 10.1016/J.NIMB.2004.01.024
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“Confinement of two-dimensional excitons in a non-homogeneous magnetic field”. Freire JAK, Matulis A, Peeters FM, Freire VN, Farias GA, Physical review : B : condensed matter and materials physics 61, 2895 (2000). http://doi.org/10.1103/PhysRevB.61.2895
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 22
DOI: 10.1103/PhysRevB.61.2895
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“Confinement effects on electron and phonon degrees of freedom in nanofilm superconductors : a Green function approach”. Saniz R, Partoens B, Peeters FM, Physical review : B : condensed matter and materials physics 87, 064510 (2013). http://doi.org/10.1103/PhysRevB.87.064510
Abstract: The Green function approach to the Bardeen-Cooper-Schrieffer theory of superconductivity is used to study nanofilms. We go beyond previous models and include effects of confinement on the strength of the electron-phonon coupling as well as on the electronic spectrum and on the phonon modes. Within our approach, we find that in ultrathin films, confinement effects on the electronic screening become very important. Indeed, contrary to what has been advanced in recent years, the sudden increases of the density of states when new bands start to be occupied as the film thickness increases, tend to suppress the critical temperature rather than to enhance it. On the other hand, the increase of the number of phonon modes with increasing number of monolayers in the film leads to an increase in the critical temperature. As a consequence, the superconducting critical parameters in such nanofilms are determined by these two competing effects. Furthermore, in sufficiently thin films, the condensate consists of well-defined subcondensates associated with the occupied bands, each with a distinct coherence length. The subcondensates can interfere constructively or destructively giving rise to an interference pattern in the Cooper pair probability density.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 6
DOI: 10.1103/PhysRevB.87.064510
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“Confined states and direction-dependent transmission in graphene quantum wells”. Milton Pereira J, Mlinar V, Peeters FM, Vasilopoulos P, Physical review : B : condensed matter and materials physics 74, 045424 (2006). http://doi.org/10.1103/PhysRevB.74.045424
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 212
DOI: 10.1103/PhysRevB.74.045424
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“Configuration-interaction excitonic absorption in small Si/Ge and Ge/Si core/shell nanocrystals”. de Oliveira EL, Albuquerque EL, de Sousa JS, Farias GA, Peeters FM, The journal of physical chemistry: C : nanomaterials and interfaces 116, 4399 (2012). http://doi.org/10.1021/jp2088516
Abstract: The excitonic properties of Si(core)/Ge(shell) and Ge(core)/Si(shell) nanocrystals (NC's) with diameters of similar to 1.9 nm are investigated using a combination density functional ab initio method to obtain the single particle wave functions and a configuration interaction method to compute the exciton fine structure and absorption coefficient. These core/shell structures exhibit type II confinement, which is more pronounced for the Si/Ge NC as a consequence of strain. The absorption coefficients of these NC's exhibit a single dominant peak, which has a much larger oscillator strength than the multipeaks found for pure Si and Ge NC's. The exciton lifetime in Si, Ge, and Ge/Si shows a small i:emperature dependence in the range 10-300 K, whereas in Si/Ge, the exciton lifetime decreases more than an order of magnitude in the same temperature range.
Keywords: A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Impact Factor: 4.536
Times cited: 44
DOI: 10.1021/jp2088516
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“Conductance quantization in a periodically modulated quantum channel: backscattering and mode mixing”. Deo PS, Gupta BC, Jayannavar AM, Peeters FM, Physical review : B : condensed matter and materials physics 58, 10784 (1998). http://doi.org/10.1103/PhysRevB.58.10784
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 12
DOI: 10.1103/PhysRevB.58.10784
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“Conductance of a copper-nanotube bundle interface: impact of interface geometry and wave-function interference”. Compemolle S, Pourtois G, Sorée B, Magnus W, Chibotaru LF, Ceulemans A, Physical review : B : condensed matter and materials physics 77, 193406 (2008). http://doi.org/10.1103/PhysRevB.77.193406
Keywords: A1 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.836
Times cited: 8
DOI: 10.1103/PhysRevB.77.193406
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“Conditions for nonmonotonic vortex interaction in two-band superconductors”. Chaves A, Komendová, L, Milošević, MV, Andrade JS, Farias GA, Peeters FM, Physical review : B : condensed matter and materials physics 83, 214523 (2011). http://doi.org/10.1103/PhysRevB.83.214523
Abstract: We describe a semianalytic approach to the two-band Ginzburg-Landau theory, which predicts the behavior of vortices in two-band superconductors. We show that the character of the short-range vortex-vortex interaction is determined by the sign of the normal domain-superconductor interface energy, in analogy with the conventional differentiation between type I and type II superconductors. However, we also show that the long-range interaction is determined by a modified Ginzburg-Landau parameter κ*, different from the standard κ of a bulk superconductor. This opens the possibility for nonmonotonic vortex-vortex interaction, which is temperature dependent, and can be further tuned by alterations of the material on the microscopic scale.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 46
DOI: 10.1103/PhysRevB.83.214523
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“Condition for the occurrence of phase slip centers in superconducting nanowires under applied current or voltage”. Michotte S, Mátéfi-Tempfli S, Piraux L, Vodolazov DY, Peeters FM, Physical review : B : condensed matter and materials physics 69, 094512 (2004). http://doi.org/10.1103/PhysRevB.69.094512
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 61
DOI: 10.1103/PhysRevB.69.094512
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“Computed electronic and optical properties of SnO2 under compressive stress”. Miglio A, Saniz R, Waroquiers D, Stankovski M, Giantomassi M, Hautier G, Rignanese G-M, Gonze X, Optical materials 38, 161 (2014). http://doi.org/10.1016/j.optmat.2014.10.017
Abstract: We consider the effects of three different types of applied compressive stress on the structural, electronic and optical properties of rutile SnO2. We use standard density functional theory (OFT) to determine the structural parameters. The effective masses and the electronic band gap, as well as their stress derivatives, are computed within both DFT and many-body perturbation theory (MBPT). The stress derivatives for the SnO2 direct band gap are determined to be 62, 38 and 25 meV/GPa within MBPT for applied hydrostatic, biaxial and uniaxial stress, respectively. Compared to DFT, this is a clear improvement with respect to available experimental data. We also estimate the exciton binding energies and their stress coefficients and compute the absorption spectrum by solving the Bethe-Salpeter equation. (C) 2014 Elsevier B.V. All rights reserved.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.238
Times cited: 6
DOI: 10.1016/j.optmat.2014.10.017
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“Compositional characterization of nickel silicides by HAADF-STEM imaging”. Verleysen E, Bender H, Richard O, Schryvers D, Vandervorst W, Journal of materials science 46, 2001 (2011). http://doi.org/10.1007/s10853-010-5191-z
Abstract: A methodology for the quantitative compositional characterization of nickel silicides by high angle annular dark field scanning transmission electron microscopy (HAADF-STEM) imaging is presented. HAADF-STEM images of a set of nickel silicide reference samples Ni3Si, Ni31Si12, Ni2Si, NiSi and NiSi2 are taken at identical experimental conditions. The correlation between sample thickness and HAADF-STEM intensity is discussed. In order to quantify the relationship between the experimental Z-contrast intensities and the composition of the analysed layers, the ratio of the HAADF-STEM intensity to the sample thickness or to the intensity of the silicon substrate is determined for each nickel silicide reference sample. Diffraction contrast is still detected on the HAADF-STEM images, even though the detector is set at the largest possible detection angle. The influence on the quantification results of intensity fluctuations caused by diffraction contrast and channelling is examined. The methodology is applied to FUSI gate devices and to horizontal TFET devices with different nickel silicides formed on source, gate and drain. It is shown that, if the elements which are present are known, this methodology allows a fast quantitative 2-dimensional compositional analysis.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.599
Times cited: 1
DOI: 10.1007/s10853-010-5191-z
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“Compositional analysis of 17-18th century archaeological glass fragments, excavated in Mechelen, Belgium: comparison with data from neighboring cities in the Low Countries”. van der Linden V, Bultinck E, de Ruytter J, Schalm O, Janssens K, Devos W, Tiri W, Nuclear instruments and methods in physics research: B: beam interactions with materials and atoms 239, 100 (2005). http://doi.org/10.1016/j.nimb.2005.06.219
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 1.109
Times cited: 15
DOI: 10.1016/j.nimb.2005.06.219
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“Composition and crystal structure of resorbable calcium phosphate thin films”. Tuck L, Sayer M, Mackenzie M, Hadermann J, Dunfield D, Pietak A, Reid JW, Stratilatov AD, Journal of materials science 41, 4273 (2006). http://doi.org/10.1007/s10853-005-5532-5
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.599
Times cited: 2
DOI: 10.1007/s10853-005-5532-5
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“Composite fermions in tilded magnetic fields and the effect of the confining potential width on the composite fermion effective mass”. Gee PJ, Peeters FM, Singleton J, Uji S, Aoki H, Foxon CTB, Harris JJ, Physical review : B : condensed matter and materials physics 54, R14313 (1996)
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.736
Times cited: 15
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“Competition of disorder and electron-phonon coupling in 2H-TaSe2-xSx (0≤x≤2) as evidenced by Raman spectroscopy”. Blagojević, J, Mijin SD, Bekaert J, Opačić, M, Liu Y, Milošević, MV, Petrović, C, Popović, ZV, Lazarević, N, Physical review materials 8, 024004 (2024). http://doi.org/10.1103/PHYSREVMATERIALS.8.024004
Abstract: The vibrational properties of 2H-TaSe<sub>2-x</sub>S<sub>x</sub> (0≤x≤2) single crystals were probed using Raman spectroscopy and density functional theory calculations. The end members revealed two out of four symmetry-predicted Raman active modes, together with the pronounced two-phonon structure, attributable to the enhanced electron-phonon coupling. Additional peaks become observable due to crystallographic disorder for the doped samples. The evolution of the E<sub>2</sub>g<sup>2</sup> mode Fano parameter reveals that the disorder has a weak impact on electron-phonon coupling, which is also supported by the persistence of two-phonon structure in doped samples. As such, this research provides thorough insights into the lattice properties, the effects of crystallographic disorder on Raman spectra, and the interplay of this disorder with the electron-phonon coupling in 2H-TaSe<sub>2-x</sub>S<sub>x</sub> compounds.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.4
DOI: 10.1103/PHYSREVMATERIALS.8.024004
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“Competition between the Ni and Fe redox in the O3-NaNi1/3Fe1/3Mn1/3O2 cathode material for Na-ion batteries”. Shevchenko VA, Glazkova IS, Novichkov DA, Skvortsova I, V Sobolev A, Abakumov AM, Presniakov IA, Drozhzhin OA, V Antipov E, Chemistry of materials 35, 4015 (2023). http://doi.org/10.1021/ACS.CHEMMATER.3C00338
Abstract: Sodium-ion batteries are attracting great attention due to their low cost and abundance of sodium. The O3-type NaNi1/3Fe1/3Mn1/3O2 layered oxide material is a promising candidate for positive electrodes (cathodes) in Na-ion batteries. However, its stable electrochemical performance is restricted by the upper voltage limit of 4.0 V (vs Na/Na+), which allows for reversibly removing 0.5-0.55 Na+ per formula unit, corresponding to the capacity of 120-130 mAh.g(-1). Further reduction of sodium content inevitably accelerates capacity degradation, and this issue calls for a detailed study of the redox reactions that accompany the electrochemical (de)intercalation of a large amount of sodium. Here, we present operando and ex situ studies using powder X-ray diffraction and X-ray absorption spectroscopy combined with Fe-57 Mossbauer spectroscopy. Our approach reveals the sequence of the redox transitions that occur during the charge and discharge of O3-NaNi1/3Fe1/3Mn1/3O2. Our data show that in addition to nickel and iron cations oxidizing to M+4, a part of iron transforms into the “3 + delta” state owing to the fast electron exchange Fe3+ + Fe4+ <-> Fe4+ + Fe3+. This process freezes upon cooling the material to 35 K, producing Fe4+ cations, some of which occupy tetrahedral positions.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 8.6
DOI: 10.1021/ACS.CHEMMATER.3C00338
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