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“Ab initio approach to superexchange interactions in alkali doped fullerides AC60”. Nikolaev AV, Michel KH, AIP conference proceedings
T2 –, 18th International Winterschool/Euroconference on Electronic Properties, of Novel Materials, MAR 06-JUN 13, 2004, Kirchberg, AUSTRIA , 393 (2004). http://doi.org/10.1063/1.1812115
Abstract: The superexchange interactions between the fullerenes arise as a result of the electron transfer from the C-60 molecule to the alkali atom and back. We present a scheme, which is a configuration interaction approach based on the valence bond (Heitler-London) method. The effect of superexchange is described together with chemical bonding by constructing and solving a secular equation, rather than by using a perturbation treatment. We have considered 180degrees and 90degrees superexchange for the C-60 Cs-C-60 pathways. The calculations account for unusual electronic properties of polymer orthorhombic and quenched cubic phases of CsC60: two lines in nuclear magnetic resonance experiments, the development of a spin-singlet ground state and a decrease of magnetic susceptibility as T-->0.
Keywords: P1 Proceeding; Condensed Matter Theory (CMT)
DOI: 10.1063/1.1812115
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“Accuracy of the Hartree-Fock method for Wigner molecules at high magnetic fields”. Szafran B, Bednarek S, Adamowski J, Tavernier MB, Anisimovas E, Peeters FM, European physical journal : D : atomic, molecular and optical physics 28, 373 (2004). http://doi.org/10.1140/epjd/e2003-00320-5
Abstract: Few-electron systems confined in two-dimensional parabolic quantum dots at high magnetic fields are studied by the Hartree-Fock (HF) and exact diagoiialization methods. A generalized multicenter Gaussian basis is proposed in the HF method. A comparison of the HF and exact, results allows as to discuss the relevance of the symmetry of the charge density distribution for the accuracy of the HF method. It is shown that the energy estimates obtained with the broken-symmetry HF wave functions become exact in the infinite magnetic-field limit. In this limit the charge density of the broken-symmetry solution call be identified with the classical charge distribution.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 1.288
Times cited: 14
DOI: 10.1140/epjd/e2003-00320-5
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“Anion ordering and defect structure in Ruddlesden-Popper strontium niobium oxynitrides”. Tobías G, Beltrán-Porter D, Lebedev OI, Van Tendeloo G, Rodríguez-Carvajal J, Fuertes A, Inorganic chemistry 43, 8010 (2004). http://doi.org/10.1021/ic049236k
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 4.857
Times cited: 31
DOI: 10.1021/ic049236k
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“Anisotropic quantum dots: Correspondence between quantum and classical Wigner molecules, parity symmetry, and broken-symmetry states”. Szafran B, Peeters FM, Bednarek S, Adamowski J, Physical review : B : condensed matter and materials physics 69, 125344 (2004). http://doi.org/10.1103/PhysRevB.69.125344
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 40
DOI: 10.1103/PhysRevB.69.125344
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“Applications of advanced transmission electron microscopic techniques to Ni-Ti based shape memory materials”. Schryvers D, Potapov P, Santamarta R, Tirry W, Materials science and engineering: part A: structural materials: properties, microstructure and processing 378, 11 (2004). http://doi.org/10.1016/j.msea.2003.10.325
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 3.094
Times cited: 6
DOI: 10.1016/j.msea.2003.10.325
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“Approaches to calculation of exciton interaction energies for a molecular dimer”. Howard IA, Zutterman F, Deroover G, Lamoen D, van Alsenoy C, Journal Of Physical Chemistry B 108, 19155 (2004). http://doi.org/10.1021/jp040417h
Keywords: A1 Journal article; Electron Microscopy for Materials Science (EMAT);
Impact Factor: 3.177
Times cited: 35
DOI: 10.1021/jp040417h
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“Atomic spectroscopy”. Bings NH, Bogaerts A, Broekaert JAC, Analytical chemistry 76, 3313 (2004). http://doi.org/10.1021/ac040052x
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 6.32
Times cited: 32
DOI: 10.1021/ac040052x
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“Band structure of a two-dimensional electron gas in the presence of two-dimensional electric and magnetic modulations and a perpendicular magnetic field”. Wang XF, Vasilopoulos P, Peeters FM, Physical review : B : condensed matter and materials physics 70, 155312 (2004). http://doi.org/10.1103/PhysRevB.70.155312
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 6
DOI: 10.1103/PhysRevB.70.155312
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“Binding of electrons, holes, and excitons in symmetric strained InP/ In0.49Ga0.51P triple quantum-dot molecules”. Tadić, M, Peeters FM, Physical review : B : condensed matter and materials physics 70, 195302 (2004). http://doi.org/10.1103/PhysRevB.70.195302
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 12
DOI: 10.1103/PhysRevB.70.195302
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“Bundles of identical double-walled carbon nanotubes”. Colomer J-F, Henrard L, Launois P, Van Tendeloo G, Lucas AA, Lambin P, Chemical communications , 2592 (2004). http://doi.org/10.1039/b410930a
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 6.319
Times cited: 13
DOI: 10.1039/b410930a
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“Calculation of cathode heating in analytical glow discharges”. Bogaerts A, Gijbels R, Journal of analytical atomic spectrometry 19, 1206 (2004). http://doi.org/10.1039/b400483c
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.379
Times cited: 21
DOI: 10.1039/b400483c
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“Charged donors in quantum dots: finite difference and fractional dimensions results”. Riva C, Escorcia RA, Govorov AO, Peeters FM, Physical review : B : condensed matter and materials physics 69, 245306 (2004). http://doi.org/10.1103/PhysRevB.69.245306
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 23
DOI: 10.1103/PhysRevB.69.245306
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“Chemical solution deposition: a path towards low cost coated conductors”. Obradors X, Puig T, Pomar A, Sandiumenge F, Piñol S, Mestres N, Castaño O, Coll M, Cavallaro A, Palau A, Gázquez J, González JC, Gutiérrez J, Romá, N, Ricart S, Moretó, JM, Rossell MD, Van Tendeloo G, Superconductor science and technology 17, 1055 (2004). http://doi.org/10.1088/0953-2048/17/8/020
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.878
Times cited: 107
DOI: 10.1088/0953-2048/17/8/020
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“The classical electron gas in artificial structures”. Peeters FM, Partoens B, Kong M, , 235 (2004)
Keywords: P3 Proceeding; Condensed Matter Theory (CMT)
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“Commensurate vortex configurations in thin superconducting films nanostructured by square lattice of magnetic dots”. Milošević, MV, Peeters FM, Physica: C : superconductivity 404, 246 (2004). http://doi.org/10.1016/j.physc.2003.09.098
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 1.404
Times cited: 6
DOI: 10.1016/j.physc.2003.09.098
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“Comment on “Tunable spin-injection and magnetoconductance in a novel 2DEG-ferromagnet structure&rdquo, [phys. stat. sol. (b) 235, No. 1, 157-161 (2003)]”. Papp G, Peeters FM, Physica status solidi: B: basic research 241, 222 (2004). http://doi.org/10.1002/pssb.200301941
Abstract: We point out that the predicted strong spin-injection effect by Jiang and Jalil [phys. stat. sol. (b) 235, 157 (2003)] for a double magnetic barrier structure is based on a wrong calculation of the transmission probability. We corrected the result and found no significant spin-injection.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 1.674
Times cited: 11
DOI: 10.1002/pssb.200301941
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“A comparative study of carbocyanine dyes measured with TOF-SIMS and other mass spectrometric techniques”. Adriaensen L, Vangaever F, Gijbels R, Applied surface science 231/232, 348 (2004). http://doi.org/10.1016/j.apsusc.2004.03.091
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.387
Times cited: 7
DOI: 10.1016/j.apsusc.2004.03.091
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“Comparison of mono- and polyatomic primary ions for the characterization of organic dye overlayers with static secondary ion mass spectrometry”. Lenaerts J, van Vaeck L, Gijbels R, Van Luppen J, Rapid communications in mass spectrometry 18, 257 (2004). http://doi.org/10.1002/rcm.1320
Abstract: Organic carbocyanine dye coatings have been analyzed by time-of-flight static secondary ion mass spectrometry (TOF-S-SIMS) using three types of primary ions: Ga+ operating at 25 keV, and Xe+ and SF5+ both operating at 9 keV. Secondary ion yields obtained with these three primary ions have been compared for coatings with different layer thickness, varying from (sub)-monolayer to multilayers, on different substrates (Si, Ag and AgBr cubic microcrystals). For (sub)-monolayers deposited on Ag, Xe+ and SF5+ primary ions generate similar precursor ion intensities, but with Ga+ slightly lower precursor ion intensities were obtained. Thick coatings on Ag as well as mono- and multilayers on Si produce the highest precursor and fragment ion intensities with the polyatomic primary ion. The yield difference between SF5+ and Xe+ can reach a factor of 6. In comparison with Ga+, yield enhancements by up to a factor of 180 are observed with SF5+. For the mass spectrometric analysis of dye layers on AgBr microcrystals, SF5+ again proves to be the primary ion of choice. Copyright (C) 2004 John Wiley Sons, Ltd.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 1.998
Times cited: 5
DOI: 10.1002/rcm.1320
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“Computer simulations of crater profiles in glow discharge optical emission spectrometry: comparison with experiments and investigation of the underlying mechanisms”. Bogaerts A, Verscharen W, Steers E, Spectrochimica acta: part B : atomic spectroscopy 59, 1403 (2004). http://doi.org/10.1016/j.sab.2004.06.005
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.241
Times cited: 14
DOI: 10.1016/j.sab.2004.06.005
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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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“Controlling the diameters in large-scale synthesis of single-walled carbon nanotubes by catalytic decomposition of CH4”. Li Y, Zhang X, Shen L, Luo J, Tao X, Liu F, Xu G, Wang Y, Geise HJ, Van Tendeloo G, Chemical physics letters 398, 276 (2004). http://doi.org/10.1016/j.cplett.2004.09.068
Abstract: High-quality single-walled carbon nanotubes (SWNTs) are synthesized in gram amount on Fe-Mo/MgO catalysts by catalytic decomposition of CH4 in H-2 or N-2. Raman data reveal that the as-prepared SATNTs have a diameter of about 0.74-1.29 nm. It is found that the diameter of the as-prepared SWNTs can be controlled mainly by adjusting the molar ratio of Fe-Mo versus the MgO support. Several other factors that potentially influence the growth of SWNTs have been studied in detail. The experimental results show that the nature of the catalyst determines the diameter of the as-prepared SWNTs. (C) 2004 Elsevier B.V. All rights reserved.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 1.815
Times cited: 45
DOI: 10.1016/j.cplett.2004.09.068
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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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“Crystal structure and properties of the new vanadyl(IV)phosphates Na2MVO(PO4)2 M=Ca and Sr”. Chernaya VV, Tsirlin AA, Shpanchenko RV, Antipov EV, Gippius AA, Morozova EN, Dyakov V, Hadermann J, Kaul EE, Geibel C, Journal of solid state chemistry 177, 2875 (2004). http://doi.org/10.1016/j.jssc.2004.04.035
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.299
Times cited: 6
DOI: 10.1016/j.jssc.2004.04.035
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“Crystal structure, polymorphism, and properties of the new vanadyl phosphate Na4VO(PO4)2”. Panin RV, Shpanchenko RV, Mironov AV, Velikodny YA, Antipov EV, Hadermann J, Tarnopolsky VA, Yaroslavtsev AB, Kaul EE, Geibel C, Chemistry of materials 16, 1048 (2004). http://doi.org/10.1021/cm0351543
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 9.466
Times cited: 11
DOI: 10.1021/cm0351543
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“Crystallographic and magnetic structures of Y0.8Sr2.2Mn2GaO8-\delta: a new vacancy-ordered perovskite structure”. Gillie LJ, Palmer HM, Wright AJ, Hadermann J, Van Tendeloo G, Greaves C, The journal of physics and chemistry of solids 65, 87 (2004). http://doi.org/10.1016/j.jpcs.2003.08.012
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.059
Times cited: 15
DOI: 10.1016/j.jpcs.2003.08.012
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“Currents in a many-particle parabolic quantum dot under a strong magnetic field”. Anisimovas E, Matulis A, Peeters FM, Physical review : B : condensed matter and materials physics 70, 195334 (2004). http://doi.org/10.1103/PhysRevB.70.195334
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 8
DOI: 10.1103/PhysRevB.70.195334
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“The dawn of surface analysis that stands by the side users: ultra-thin film analysis by rf-GDOES”. Shimizu K, Habazaki H, Bender H, Gijbels R, Engineering materials 52, 97 (2004)
Keywords: A3 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
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“Density functional theory calculations of energy-loss carbon near-edge spectra of small diameter armchair and zigzag nanotubes: core-hole, curvature, and momentum-transfer orientation effects”. Titantah JT, Jorissen K, Lamoen D, Physical review : B : condensed matter and materials physics 69, 125406 (2004). http://doi.org/10.1103/PhysRevB.69.125406
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 3.836
Times cited: 28
DOI: 10.1103/PhysRevB.69.125406
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“Depth profiling of ZrO2/SiO2/Si stacks : a TOF-SIMS and computer simulation study”. Ignatova VA, Conard T, Möller W, Vandervorst W, Gijbels R, Applied surface science 231/232, 603 (2004). http://doi.org/10.1016/j.apsusc.2004.03.121
Abstract: This study is dedicated to a better understanding of the processes occurring under ion bombardment of ultra-thin ZrO2/SiO2/Si gate dielectric stacks. Complex-shaped depth profiles were obtained by using TOF-SIMS with dual beam (500 eV for sputtering and 10 keV for analysis) Ar+ ions. The SIMS intensities of all the elements depend critically on the amount of oxygen at any moment of the sputtering process. Increased intensity is observed at the surface and at the ZrO2/SiO2 interface. A long tail of the Zr signal is present in the Si substrate, even after the second (SiO2/Si) interface, and a double bump structure in the Zr-90 and ZrO dimer is observed, which is more pronounced with increasing thickness of the interfacial SiO2 layer. Computer simulations using the dynamic Monte Carlo code (TRIDYN) are performed in order to distinguish the ion bombardment-induced effects from changes in the ionization degree. The original code is extended with simple models for the ionization mechanism and for the molecular yield during sputtering. Oxygen preferential sputtering at the surface and ballistic transport of Zr towards and through the interface are clearly demonstrated, but there is also evidence that due to recoil implantation oxygen gets piled-up near the ZrO2/SiO2 interface. (C) 2004 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: 4
DOI: 10.1016/j.apsusc.2004.03.121
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“Determination of the electron effective band mass in amorphous carbon from density-functional theory calculations”. Titantah JT, Lamoen D, Physical review : B : condensed matter and materials physics 70, 033101 (2004). http://doi.org/10.1103/PhysRevB.70.033101
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 3.836
Times cited: 24
DOI: 10.1103/PhysRevB.70.033101
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