“An extended RF methane plasma 1D fluid model of interest in deposition of diamond-like carbon layers”. Herrebout D, Bogaerts A, Yan M, Goedheer W, Dekempeneer E, Gijbels R, , 399 (2000)
Keywords: P3 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
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“Extended stability region for large bipolarons through interaction with multiple phonon branches”. Verbist G, Peeters FM, Devreese JT, Ferroelectrics 130, 27 (1992). http://doi.org/10.1080/00150199208019532
Abstract: The large (bi)polaron is investigated for the case where the electron interacts with multiple LO-phonon branches. Explicit expressions for the groundstate energy and the effective mass are obtained within the Feynman polaron model approximation and they are applied to the material SrTiO3. The results of an effective LO-phonon branch approximation are compared with the results in which all LO-phonon branches are explicitly included. We show how the stability region for large bipolaron formation is enlarged when the electrons interact with multiple LO-phonon branches. The possible relevance of this result for the high-T(c) superconductors is pointed out.
Keywords: A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems
Impact Factor: 0.469
Times cited: 19
DOI: 10.1080/00150199208019532
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“Extension of the clathrate family : the type X clathrate Ge79P29S18Te6”. Kirsanova MA, Olenev AV, Abakumov AM, Bykov MA, Shevelkov AV, Angewandte Chemie: international edition in English 50, 2371 (2011). http://doi.org/10.1002/anie.201007483
Abstract: Now they are 10! The title compound displays a new type of crystal structure and is labeled clathrate X according to the general classification of clathrate structures. In contrast to typical clathrates, this compound has three-coordinate atoms within the framework and combines distorted 24-vertex polyhedra (see picture, green) centered around tellurium guest atoms with very irregular 10-vertex polyhedra around sulfur atoms (yellow).
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 11.994
Times cited: 23
DOI: 10.1002/anie.201007483
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“Fabrication, interface characterization and modeling of oriented graphite flakes/Si/Al composites for thermal management applications”. Zhou C, Ji G, Chen Z, Wang M, Addad A, Schryvers D, Wang H, Materials and design 63, 719 (2014). http://doi.org/10.1016/j.matdes.2014.07.009
Abstract: Highly thermally conductive graphite flakes (Gf)/Si/Al composites have been fabricated using Gf, Si powder and an AlSi7Mg0.3 alloy by an optimized pressure infiltration process for thermal management applications. In the composites, the layers of Gf were spaced apart by Si particles and oriented perpendicular to the pressing direction, which offered the opportunity to tailor the thermal conductivity (TC) and coefficient of thermal expansion (CTE) of the composites. Microstructural characterization revealed that the formation of a clean and tightly-adhered interface at the nanoscale between the side surface of the Gf and Al matrix, devoid of a detrimental Al4C3 phase and a reacted amorphous AlSiOC layer, contributed to excellent thermal performance along the alignment direction. With increasing volume fraction of Gf from 13.7 to 71.1 vol.%, the longitudinal (i.e. parallel to the graphite layers) TC of the composites increased from 179 to 526 W/m K, while the longitudinal CTE decreased from 12.1 to 7.3 ppm/K (matching the values of electronic components). Furthermore, the modified layers-in-parallel model better fitted the longitudinal TC data than the layers-in-parallel model and confirmed that the clean and tightly-adhered interface is favorable for the enhanced longitudinal TC.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Times cited: 61
DOI: 10.1016/j.matdes.2014.07.009
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“Faceted sidewalls of silicon nanowires: Au-induced structural reconstructions and electronic properties”. Xu T, Nys J-P, Addad A, Lebedev OI, Urbieta A, Salhi B, Berthe M, Grandidier B, Stievenard D, Physical review : B : condensed matter and materials physics 81, 115403 (2010). http://doi.org/10.1103/PhysRevB.81.115403
Abstract: Si nanowires with a ⟨111⟩ orientation, synthesized by vapor-liquid-solid process with low silane partial pressure reactant and gold as the catalyst, are known to exhibit sawtooth facets containing gold adsorbates. We report herein the study of the nanowire morphology by means of transmission electron microscopy and scanning tunneling microscopy. The nanowires consist of faceted sidewalls. The number of the sidewalls changes from 12 to 6 along the growth axis, giving rise to nanowires with an irregular hexagonal cross section at their base. The sidewalls are covered with Au-rich clusters. Their facets also exhibit atomic structures that reveal the presence of gold, resulting from the diffusion of gold during the growth. Based on these observations, the tapering of the nanowire is found to be related to two contributions: the reduction in the catalyst particle size during the growth and lateral overgrowth from the direct incorporation of Si species onto the nanowire sidewalls. Because the rearrangement of atoms at surfaces and interfaces might affect the growth kinetics, the trigonal symmetry as well as the higher lateral growth rate on the widest sidewalls are explained from the existence of an interfacial atomic structure with two inequivalent parts in the unit cell. Finally, spectroscopic measurements were performed on the major facets and revealed a metallic behavior at 77 K.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 3.836
Times cited: 42
DOI: 10.1103/PhysRevB.81.115403
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“Facile synthesis of Ba1-xKxFe2As2 superconductors via hydride route”. Zaikina JV, Batuk M, Abakumov AM, Navrotsky A, Kauziarich SM, Journal of the American Chemical Society 136, 16932 (2014). http://doi.org/10.1021/ja509907r
Abstract: We have developed a fast, easy, and scalable synthesis method for Ba1xKxFe2As2 (0 ≤ x ≤ 1) superconductors using hydrides BaH2 and KH as a source of barium and potassium metals. Synthesis from hydrides provides better mixing and easier handling of the starting materials, consequently leading to faster reactions and/or lower synthesis temperatures. The reducing atmosphere provided by the evolved hydrogen facilitates preparation of oxygen-free powders. By a combination of methods we have shown that Ba1xKxFe2As2 obtained via hydride route has the same characteristics as when it is prepared by traditional solid-state synthesis. Refinement from synchrotron powder X-ray diffraction data confirms a linear dependence of unit cell parameters upon K content as well as the tetragonal to orthorhombic transition at low temperatures for compositions with x < 0.2. Magnetic measurements revealed dome-like dependence of superconducting transition temperature Tc upon K content with a maximum of 38 K for x close to 0.4. Electron diffraction and high-resolution high-angle annular dark-field scanning transmission electron microscopy indicates an absence of Ba/K ordering, while local inhomogeneity in the Ba/K distribution takes place at a scale of several angstroms along [110] crystallographic direction.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 13.858
Times cited: 13
DOI: 10.1021/ja509907r
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“Factors Influencing the Conductivity of Aqueous Sol(ution)-Gel-Processed Al-Doped ZnO Films”. Damm H, Adriaensens P, De Dobbelaere C, Capon B, Elen K, Drijkoningen J, Conings B, Manca JV, D’Haen J, Detavernier C, Magusin PCMM, Hadermann J, Hardy A, Van Bael MK;, Chemistry of materials 26, 5839 (2014). http://doi.org/10.1021/cm501820a
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 9.466
Times cited: 24
DOI: 10.1021/cm501820a
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“Far-infrared magneto-optical studies of the polaron effect in low dimensional GaAs-(Ga,Al)As structures”. Langerak CJGM, Singleton J, Perenboom JAA, Devreese JT, Barnes DJ, Nicholas RJ, Huant S, Harris JJ, Foxon CT, Etienne B, Peeters FM, Physica scripta T39, 308 (1991). http://doi.org/10.1088/0031-8949/1991/T39/047
Keywords: A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems
Impact Factor: 1.126
Times cited: 6
DOI: 10.1088/0031-8949/1991/T39/047
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“Far-infrared spectroscopy of minibands and confined donors in GaAs/AlxGa1-xAs superlattices”. Helm M, Peeters FM, DeRosa F, Colas E, Harbison JP, Florez LT, Physical review : B : condensed matter and materials physics 43, 13983 (1991)
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.736
Times cited: 77
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“Ferroelastic domains in lead phosphate-arsenate: an AFM, X-ray diffraction, TEM and raman study”. Bismayer U, Mathes D, Oroyo M, Bosbach D, Putnis A, Van Tendeloo G, Güttler B, Phase transitions 71, 243 (2000). http://doi.org/10.1080/01411590008229654
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 1.06
Times cited: 6
DOI: 10.1080/01411590008229654
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“The ferroelectric phase transition in tridymite type BaAl2O4 studied by electron microscopy”. Abakumov AM, Lebedev OI, Nistor L, Van Tendeloo G, Amelinckx S, Phase transitions 71, 143 (2000). http://doi.org/10.1080/01411590008224545
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 1.06
Times cited: 21
DOI: 10.1080/01411590008224545
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“Ferromagnetism and magnetoresistance in monolayered manganites Ca2-xLnxMnO4”. Maignan A, Martin C, Van Tendeloo G, Hervieu M, Raveau B, Journal of materials chemistry 8, 2411 (1998). http://doi.org/10.1039/a805393f
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Times cited: 30
DOI: 10.1039/a805393f
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“Ferromagnetism in Mn-doped GaAs : the kinematic exchange”. Krstajic PM, Ivanov VA, Peeters FM, Fleurov V, Kikoin K, Journal of superconductivity
T2 –, PASPS Conference 2002, JUL, 2002, WURZBURG, GERMANY 16, 111 (2003). http://doi.org/10.1023/A:1023253205699
Abstract: We developed a microscopic model in order to describe the onset of ferromagnetism (FM) in GaAs:Mn. The proposed kinematic mechanism bears resemblances with the Zener exchange. The calculated Curie temperature for GaAs: Mn is in good agreement with available experimental data of the Curie temperature as a function of the manganese concentration.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Times cited: 2
DOI: 10.1023/A:1023253205699
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“Few-electron eigenstates of concentric double quantum rings”. Szafran B, Peeters FM, Physical review : B : condensed matter and materials physics 72, 155316 (2005). http://doi.org/10.1103/PhysRevB.72.155316
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 70
DOI: 10.1103/PhysRevB.72.155316
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“Few-particle states in coupled electron-hole quantum dots”. Anisimovas E, Peeters FM, Functions II , 330 (2003). http://doi.org/10.1142/9789812705129_0029
Abstract: We apply the exact diagonalization technique to calculate the ground and excited states of a bipolar artificial molecule composed of two vertically coupled quantum dots containing different types of carriers electrons and holes in equilibrium. In this system, the magnetic field tunes the relative role of intra-dot Coulomb interaction while the inter-dot separation sets the strength of inter-dot correlations. We find an intricate pattern of the switching of the ground-state angular momentum with increasing magnetic field and a rearrangement of approximate single-particle levels as a function of the inter-dot coupling strength.
Keywords: P1 Proceeding; Condensed Matter Theory (CMT)
DOI: 10.1142/9789812705129_0029
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“FIB/SEM applied to quantitative 3D analysis of precipitates in Ni-Ti”. Cao S, Nishida M, Schryvers D, Diffusion and defect data : solid state data : part B : solid state phenomena 172/174, 1284 (2011). http://doi.org/10.4028/www.scientific.net/SSP.172-174.1284
Abstract: Ni4Ti3 precipitates with a heterogeneous distribution growing in a polycrystalline Ni50.8Ti49.2 alloy have been investigated in a Dual-Beam FIB/SEM system. The volume ratio, mean volume, central plane diameter, thickness, aspect ratio and sphericity of the precipitates in the grain interior as well as near to the grain boundary were measured or calculated. The morphology of the precipitates was classified according to the Zingg scheme. The multistage martensitic transformation occurring in these kinds of samples is interpreted in view of the data of this heterogeneous microstructure of matrix and precipitates.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
DOI: 10.4028/www.scientific.net/SSP.172-174.1284
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“Field-enhanced critical parameters in magnetically nanostructured superconductors”. Milošević, MV, Peeters FM, Europhysics letters 70, 670 (2005). http://doi.org/10.1209/epl/i2005-10032-4
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 1.957
Times cited: 40
DOI: 10.1209/epl/i2005-10032-4
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“Filed-cooled vortex states in mesoscopic superconducting samples”. Schweigert VA, Peeters FM, Physica: C : superconductivity 180, 426 (2000). http://doi.org/10.1016/S0921-4534(99)00717-0
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 1.404
Times cited: 17
DOI: 10.1016/S0921-4534(99)00717-0
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“Fine structure of CMR perovskites by HREM and CBEM”. Van Tendeloo G, Richard O, Schuddinck W, Hervieu M, Electron microscopy: vol. 1 , 383 (1998)
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
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“Fine structure of excitons in a quantum well in the presence of a non-homogeneous magnetic field”. Freire JAK, Matulis A, Peeters FM, Freire VN, Farias GA, Physical review : B : condensed matter and materials physics 62, 7316 (2000). http://doi.org/10.1103/PhysRevB.62.7316
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 14
DOI: 10.1103/PhysRevB.62.7316
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“Finite-size effect on the resistive state in a mesoscopic type-II superconducting stripe”. Berdiyorov GR, Elmurodov AK, Peeters FM, Vodolazov DY, Physical review : B : solid state 79, 174506 (2009). http://doi.org/10.1103/PhysRevB.79.174506
Abstract: Within the time-dependent Ginzburg-Landau (TDGL) theory we studied the creation of phase-slip lines and the interplay with a vortex lattice in a finite-length superconducting thin stripe with finite-size normal metal leads. In zero magnetic field and with increasing transport current phase-slip lines appear across the sample leading to distinct jumps in the current-voltage characteristics. When a magnetic field is applied, the moving vortex lattice becomes rearranged by the external current and fast and slow moving vortex channels are formed. Curved vortex channels are observed near the normal contacts. We found the remarkable result that at small applied magnetic field the normal-state transition current is increased as compared to the one at zero magnetic field. This effect is more pronounced for larger values of the parameter in the TDGL formalism. This unusual field-induced increase in the critical current is a consequence of the nonuniform distribution of the current in the sample.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 36
DOI: 10.1103/PhysRevB.79.174506
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“First-principles calculations of 002 structure factors for electron scattering in strained InxGa1-xAs”. Rosenauer A, Schowalter M, Glas F, Lamoen D, Physical Review B 72, 1 (2005). http://doi.org/10.1103/PhysRevB.72.085326
Abstract: This work provides values of electron scattering 002 structure factors for InxGa1-xAs as a function of the In concentration x=0 to 1. These results allow accurate compositional analysis of pseudomorphically grown InxGa1-xAs/GaAs layers by transmission electron microscopy methods relying on the chemical sensitivity of the (002) beam. The calculations go beyond the limits of the isolated atom approximation, because they take into account charge redistribution effects between atomic sites in the crystal, strain, and static atomic displacements. The computations were performed by the full potential linearized augmented plane-wave method using a generalized gradient approximation for the exchange and correlation part of the potential. The calculations of strained InxGa1-xAs correspond to the strain state in specimens with large, small, and intermediate thickness in the electron beam direction. Additionally, the effect of static atomic displacements is taken into account. All results are listed in a parameterized form. The calculated 002 structure factor vanishes at an In concentration of 16.4%. This value is in a good agreement with previously reported experimental measurements. Hence, our results are a significant improvement with respect to the isolated atom approximation which is conventionally applied in transmission electron microscopy simulations, and which predicts a value of 22.5%.
Keywords: A1 Journal article; Electron Microscopy for Materials Science (EMAT);
Impact Factor: 3.836
Times cited: 42
DOI: 10.1103/PhysRevB.72.085326
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“First-principles calculations of 002 structure factors for electron scattering in strained InxGa1-xAs”. Rosenauer A, Schowalter M, Glas F, Lamoen D, 107, 151 (2005)
Keywords: A1 Journal article; Electron Microscopy for Materials Science (EMAT);
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“First-principles calculations of the mean inner Coulomb potential for sphalerite type II.VI semiconductors”. Schowalter M, Lamoen D, Kruse P, Gerthsen D, Rosenauer A, Applied Physics Letters 85, 4938 (2004). http://doi.org/10.1063/1.1823598
Keywords: A1 Journal article; Electron Microscopy for Materials Science (EMAT);
Impact Factor: 3.411
Times cited: 16
DOI: 10.1063/1.1823598
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“First principles computation of thermo-chemical properties beyond the harmonic approximation: 1: method and application to the water molecule and its isotopomers”. Martin JML, François JP, Gijbels R, The journal of chemical physics 96, 7633 (1992)
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.952
Times cited: 59
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“First principles computation of thermo-chemical properties beyond the harmonic approximation: 2: application to the amino radical and its isotopomers”. Martin JML, François JP, Gijbels R, The journal of chemical physics 97, 3530 (1992)
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.952
Times cited: 22
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“First-principles electronic functionalization of silicene and germanene by adatom chemisorption”. van den Broek B, Houssa M, Scalise E, Pourtois G, Afanas'ev VV, Stesmans A, Applied surface science 291, 104 (2014). http://doi.org/10.1016/j.apsusc.2013.09.032
Abstract: This study presents first-principles results on the electronic functionalization of silicene and germanene monolayers by means of chemisorption of adatom species H, Li, F, Sc, Ti, V. Three general adatom-monolayer configurations are considered, each having its distinct effect on the electronic structure, yielding metallic or semiconducting dispersions depending on the adatom species and configuration. The induced bandgap is a (in)direct F gap ranging from 0.2 to 2.3 eV for both silicene and germanene. In general the alternating configuration was found to be the most energetically stable. The boatlike and chairlike conformers are degenerate with the former having anisotropic effective carrier masses. The top configuration leads to the planar monolayer and predominately to a gapped dispersion. The hollow configuration with V adatoms retains the Dirac cone, but with strong orbital planar hybridization at the Fermi level. We also observe a planar surface state the Fermi level for the latter systems. (C) 2013 Elsevier B.V. All rights reserved.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.387
Times cited: 32
DOI: 10.1016/j.apsusc.2013.09.032
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“First-principles modeling of intrinsic and extrinsic defects in \gamma-Al2O3”. Sankaran K, Pourtois G, Degraeve R, Zahid MB, Rignanese G-M, Van Houdt J, Applied physics letters 97, 212906 (2010). http://doi.org/10.1063/1.3507385
Abstract: The electronic properties of a set of intrinsic and extrinsic point defects in gamma-Al2O3 are investigated using quasiparticle calculations within the G(0)W(0) approximation. We find that the electronic signature of atomic vacancies lie deep in the band gap, close to the top of the valence band edge. The introduction of C, Si, and N impurities induces defective levels that are located close to the conduction band edge and near the middle of the band gap of the oxide. The comparison with electrical measurements reveals that the energy levels of some of these defects match with the electronic fingerprint of the defects reported in gamma-Al2O3 based nonvolatile memories. (C) 2010 American Institute of Physics. [doi:10.1063/1.3507385]
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.411
Times cited: 12
DOI: 10.1063/1.3507385
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“First-principles simulation of oxygen diffusion in HfOx : role in the resistive switching mechanism”. Clima S, Chen YY, Degraeve R, Mees M, Sankaran K, Govoreanu B, Jurczak M, De Gendt S, Pourtois G, Applied physics letters 100, 133102 (2012). http://doi.org/10.1063/1.3697690
Abstract: Transition metal oxide-based resistor random access memory (RRAM) takes advantage of oxygen-related defects in its principle of operation. Since the change in resistivity of the material is controlled by the oxygen deficiency level, it is of major importance to quantify the kinetics of the oxygen diffusion, key factor for oxide stoichiometry. Ab initio accelerated molecular dynamics techniques are employed to investigate the oxygen diffusivity in amorphous hafnia (HfOx, x = 1.97, 1.0, 0.5). The computed kinetics is in agreement with experimental measurements. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.3697690]
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.411
Times cited: 63
DOI: 10.1063/1.3697690
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Amini M (2014) First-principles study of defects in transparent conducting oxide materials. Antwerpen
Keywords: Doctoral thesis; Condensed Matter Theory (CMT)
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