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Author Verberck, B.; Nikolaev, A.V.; Michel, K.H.
Title Orientational charge density waves and the metal-insulator transition in polymerized KC60 Type A1 Journal article
Year 2004 Publication AIP conference proceedings Abbreviated Journal
Volume 723 Issue Pages 339-342
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Polymerized KC60 undergoes a structural phase transition accompanied by a metal-insulator transition around 50 K. To explain the structural aspect, a mechanism involving small orientational deviations of the valence electron density on every C-60 monomer orientational charge density waves (OCDWs) – has already been proposed earlier. In the present work, we address the metal-insulator transition using the OCDW concept. We are inspired by the analogy between a polymer chain exhibiting an OCDW and a linear atomic chain undergoing a static lattice deformation doubling the unit cell: such a deformation implies a band gap at the zone boundary, yielding an insulating state (Peierls instability). Within our view, a similar mechanism occurs in polymerized KC60; the OCDW plays the role of the lattice deformation. We present tight-binding band structure calculations and conclude that the metal-insulator transition can indeed be explained using OCDWs, but that the threedimensionality of the crystal plays an unexpected key role.
Address
Corporate Author Thesis
Publisher Place of Publication New York Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title (up)
Series Volume Series Issue Edition
ISSN 0094-243x ISBN Additional Links UA library record; WoS full record;
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:94831 Serial 2513
Permanent link to this record
 
 
Author Verberck, B.; Nikolaev, A.V.; Michel, K.H.
Title Orientational charge density waves and the metal-insulator transition in polymerized KC60 Type A1 Journal article
Year 2005 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 71 Issue 16 Pages 165117-11
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract A theoretical model is presented for the description of the metal-insulator transition which accompanies the structural phase transition at T approximate to 50 K in polymerized KC60. The model involves orientational charge density waves (along the C-60 polymer chains) which were introduced previously for a description of the structural phase transition. A satisfactory qualitative and quantitative understanding is obtained when the three-dimensionality of the crystal and the presence of the K+ counterions is properly taken into account.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000228763100035 Publication Date 2005-04-27
Series Editor Series Title Abbreviated Series Title (up)
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 1 Open Access
Notes Approved Most recent IF: 3.836; 2005 IF: 3.185
Call Number UA @ lucian @ c:irua:104076 Serial 2514
Permanent link to this record
 
 
Author Nikolaev, A.V.; Michel, K.H.; Copley, J.R.D.
Title Orientational disorder and order in C60-fullerite and in MC60-alkali metal fullerides Type H3 Book chapter
Year 1999 Publication Abbreviated Journal
Volume Issue Pages 183-214
Keywords H3 Book chapter; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Plenum Press Place of Publication New York Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title (up)
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:28505 Serial 2515
Permanent link to this record
 
 
Author Lamoen, D.; March, N.H.
Title Orientational disorder in some molecular solids in relation to the boson peak in glasses Type A1 Journal article
Year 2009 Publication Physics letters : A Abbreviated Journal Phys Lett A
Volume 373 Issue 7 Pages 799-800
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Orientational disorder in some molecular solids is discussed in relation to the emphasis placed on transverse vibrational modes in glasses as the origin of the observed boson peak in two very recent contributions in Nature Materials. In particular, facts are here presented for (i) CH4, (ii) C60 and (iii) ethanol in their solid phases for (a) specific heat and (b) neutron scattering. The results for ethanol in particular do not fit in with the interpretation of the boson peak in terms of transverse acoustic phonons in disordered systems. Glasses will therefore have to be separated into at least two classes where the physical interpretation of the boson peak is concerned.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000263515500020 Publication Date 2009-01-09
Series Editor Series Title Abbreviated Series Title (up)
Series Volume Series Issue Edition
ISSN 0375-9601; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.772 Times cited 3 Open Access
Notes Bof Approved Most recent IF: 1.772; 2009 IF: 2.009
Call Number UA @ lucian @ c:irua:72917 Serial 2516
Permanent link to this record
 
 
Author Michel, K.H.; Copley, J.R.D.
Title Orientational mode coupling, diffuse scattering, and the order-disorder phase transition in solid C60 Type A3 Journal article
Year 1997 Publication Zeitschrift für Physik: B: condensed matter and quanta Abbreviated Journal
Volume 103 Issue Pages 369-376
Keywords A3 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Berlin Editor
Language Wos A1997XL52100005 Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title (up)
Series Volume Series Issue Edition
ISSN 0340-224x ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 21 Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:21181 Serial 2517
Permanent link to this record
 
 
Author Michel, K.H.; Lamoen, D.; David, W.I.F.
Title Orientational order and disorder in solid C60 : theory and diffraction experiments Type A1 Journal article
Year 1995 Publication Acta crystallographica: section A: foundations of crystallography Abbreviated Journal Acta Crystallogr A
Volume 51 Issue 3 Pages 365-374
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Starting from a microscope model of the intermolecular potential, a unified description is presented of the Bragg scattering law in the orientationally disordered and in the ordered phase of solid C-60. The orientational structure factor is expanded in terms of symmetry-adapted surface harmonics. The expansion coefficients are calculated from theory and compared with experiment Their temperature evolution is studied in the disordered phase at the 260 K transitions and in the ordered phase. In the ordered phase, new results from high-resolution neutron powder diffraction are given. In the disordered phase, space group Fm $($) over bar$$ 3m, the reflections have A(1g) symmetry; in the ordered phase, space group Pa $$($) over bar 3, reflections of T-2g symmetry appear and in addition the A(1g) reflections are renormalized. The orientational density distribution is calculated. The effective crystal-field potential is constructed, its temperature evolution in the ordered phase is studied and related to the occurrence of an orientational glass.
Address
Corporate Author Thesis
Publisher Place of Publication Copenhagen Editor
Language Wos A1995RB59400018 Publication Date 2002-07-27
Series Editor Series Title Abbreviated Series Title (up)
Series Volume Series Issue Edition
ISSN 0108-7673; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.307 Times cited 14 Open Access
Notes Approved CHEMISTRY, MULTIDISCIPLINARY 65/163 Q2 # CRYSTALLOGRAPHY 10/26 Q2 #
Call Number UA @ lucian @ c:irua:12189 Serial 2518
Permanent link to this record
 
 
Author Verberck, B.; Vliegenthart, G.A.; Gompper, G.
Title Orientational ordering in solid C60 fullerene-cubane Type A1 Journal article
Year 2009 Publication The journal of chemical physics Abbreviated Journal J Chem Phys
Volume 130 Issue 15 Pages 154510,1-154510,14
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We study the structure and phase behavior of fullerene-cubane C60·C8H8 by Monte Carlo simulation. Using a simple potential model capturing the icosahedral and cubic symmetries of its molecular constituents, we reproduce the experimentally observed phase transition from a cubic to an orthorhombic crystal lattice and the accompanying rotational freezing of the C60 molecules. We elaborate a scheme to identify the low-temperature orientations of individual molecules and to detect a pattern of orientational ordering similar to the arrangement of C60 molecules in solid C60. Our configuration of orientations supports a doubled periodicity along one of the crystal axes.
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000265486300036 Publication Date 2009-04-22
Series Editor Series Title Abbreviated Series Title (up)
Series Volume Series Issue Edition
ISSN 0021-9606; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.965 Times cited 8 Open Access
Notes Approved Most recent IF: 2.965; 2009 IF: 3.093
Call Number UA @ lucian @ c:irua:77258 Serial 2519
Permanent link to this record
 
 
Author Verberck, B.
Title Orientational properties of C70 and C80 fullerenes in carbon nanotubes Type A1 Journal article
Year 2011 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 83 Issue 4 Pages 045405-045405,8
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We present energy calculations of a C80 molecule with D5d symmetry encapsulated in a carbon nanotube. The approximation of a continuous tube rather than a rolled-up graphene sheet, justified by comparison with atomistic calculations, allows an expansion of the energy field into symmetry-adapted rotator functions. For a given tube radius R, we observe a strong dependence of the interaction energy on the molecular tilt angle and on the molecules lateral position in the tube. We observe a transition from on-axis lying orientations to tilted orientations at R1≈6.95 Å and a subsequent transition to standing orientations at R2≈7.6 Å. For tube radii larger than R3≈8.0 Å, the molecule starts to occupy off-axis positions and assumes a lying orientation. Results are compared to the case of C70 molecules, with D5h symmetry. Our findings are consistent with recent high-resolution transmission electron microscopy measurements and are relevant for the design of new materials with tunable electronic properties.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000286770600010 Publication Date 2011-01-20
Series Editor Series Title Abbreviated Series Title (up)
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 6 Open Access
Notes ; The author gratefully acknowledges discussions with A. V. Nikolaev and K. H. Michel. This work was financially supported by the Research Foundation-Flanders (FWO-Vl). ; Approved Most recent IF: 3.836; 2011 IF: 3.691
Call Number UA @ lucian @ c:irua:88911 Serial 2520
Permanent link to this record
 
 
Author Bultinck, E.; Mahieu, S.; Depla, D.; Bogaerts, A.
Title The origin of Bohm diffusion, investigated by a comparison of different modelling methods Type A1 Journal article
Year 2010 Publication Journal of physics: D: applied physics Abbreviated Journal J Phys D Appl Phys
Volume 43 Issue 29 Pages 292001,1-292001,5
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract 'Bohm diffusion' causes the electrons to diffuse perpendicularly to the magnetic field lines. However, its origin is not yet completely understood: low and high frequency electric field fluctuations are both named to cause Bohm diffusion. The importance of including this process in a Monte Carlo (MC) model is demonstrated by comparing calculated ionization rates with particle-in-cell/Monte Carlo collisions (PIC/MCC) simulations. A good agreement is found with a Bohm diffusion parameter of 0.05, which corresponds well to experiments. Since the PIC/MCC method accounts for fast electric field fluctuations, we conclude that Bohm diffusion is caused by fast electric field phenomena.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000279638700001 Publication Date 2010-07-09
Series Editor Series Title Abbreviated Series Title (up)
Series Volume Series Issue Edition
ISSN 0022-3727;1361-6463; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.588 Times cited 16 Open Access
Notes Approved Most recent IF: 2.588; 2010 IF: 2.109
Call Number UA @ lucian @ c:irua:83109 Serial 2521
Permanent link to this record
 
 
Author Lorenz, H.; Zhao, Q.; Turner, S.; Lebedev, O.I.; Van Tendeloo, G.; Kloetzer, B.; Rameshan, C.; Pfaller, K.
Title Origin of different deactivation of Pd/SnO2 and Pd/GeO2 catalysts in methanol dehydrogenation and reforming: a comparative study Type A1 Journal article
Year 2010 Publication Applied catalysis : A : general Abbreviated Journal Appl Catal A-Gen
Volume 381 Issue 1/2 Pages 242-252
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Pd particles supported on SnO2 and GeO2 have been structurally investigated by X-ray diffraction, (High-Resolution) transmission and scanning electron microscopy after different reductive treatments to monitor the eventual formation of bimetallic phases and catalytically tested in methanol dehydrogenation/ reforming. For both oxides this included a thin film sample with well-defined Pd particles and a powder catalyst prepared by incipient wetness impregnation. The hexagonal and the tetragonal polymorph were studied for powder GeO2. Pd2Ge formation was observed on all GeO2-supported catalysts, strongly depending on the specific sample used. Reduction of the thin film at 573K resulted in full transformation into the bimetallic state. The partial solubility of hexagonal GeO2 in water and its thermal structural instability yielded Pd2Ge formation at 473 K, at the cost of a structurally inhomogeneous support and Ge metal formation at higher reduction temperatures. Pd on tetragonal GeO2 entered a state of strong metalsupport interaction after reduction at 573673 K, resulting in coalescing Pd2Ge particles on a sintered and re-crystallized support, apparently partially covering the bimetallic particles and decreasing the catalytic activity. Pd2Ge on amorphous thin film and hexagonal GeO2 converted methanol primarily via dehydrogenation to CO and H2. At 573 K, formation of Pd2Sn and also PdSn occurred on the Pd/SnO2 thin film. Pd3Sn2 (and to some extent Pd2Sn) were predominantly obtained on the respective powder catalyst. Strong deactivation with increasing reduction temperature was observed, likely not based on the classical strong metalsupport interaction effect, but rather on a combination of missing active structural ensembles on Sn-enriched bimetallic phases and the formation of metallic -Sn. Correlations to Pd and its bimetallics supported on ZnO, Ga2O3 and In2O3 were also discussed.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000279100700029 Publication Date 2010-04-26
Series Editor Series Title Abbreviated Series Title (up)
Series Volume Series Issue Edition
ISSN 0926-860X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.339 Times cited 14 Open Access
Notes Esteem 026019 Approved Most recent IF: 4.339; 2010 IF: 3.384
Call Number UA @ lucian @ c:irua:83927 Serial 2522
Permanent link to this record
 
 
Author Van Tendeloo, G.; Amelinckx, S.
Title The origin of diffuse intensity in electron diffraction patterns Type A1 Journal article
Year 1998 Publication Phase transitions Abbreviated Journal Phase Transit
Volume 67 Issue Pages 101-135
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication New York Editor
Language Wos 000079806000006 Publication Date 2007-07-08
Series Editor Series Title Abbreviated Series Title (up)
Series Volume Series Issue Edition
ISSN 0141-1594;1029-0338; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.06 Times cited 17 Open Access
Notes Approved Most recent IF: 1.06; 1998 IF: 0.551
Call Number UA @ lucian @ c:irua:25682 Serial 2523
Permanent link to this record
 
 
Author da Pieve, F.; Di Matteo, S.; Rangel, T.; Giantomassi, M.; Lamoen, D.; Rignanese, G.-M.; Gonze, X.
Title Origin of magnetism and quasiparticles properties in Cr-doped TiO2 Type A1 Journal article
Year 2013 Publication Physical review letters Abbreviated Journal Phys Rev Lett
Volume 110 Issue 13 Pages 136402-136405
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Combining the local spin density approximation (LSDA)+U and an analysis of superexchange interactions beyond density functional theory, we describe the magnetic ground state of Cr-doped TiO2, an intensively studied and debated dilute magnetic oxide. In parallel, we correct our LSDA+U (+ superexchange) ground state through GW corrections (GW@LSDA+U) that reproduce the position of the impurity states and the band gaps in satisfying agreement with experiments. Because of the different topological coordinations of Cr-Cr bonds in the ground states of rutile and anatase, superexchange interactions induce either ferromagnetic or antiferromagnetic couplings of Cr ions. In Cr-doped anatase, this interaction leads to a new mechanism which stabilizes a (nonrobust) ferromagnetic ground state, in keeping with experimental evidence, without the need to invoke F-center exchange. The interplay between structural defects and vacancies in contributing to the superexchange is also unveiled.
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000316683500014 Publication Date 2013-03-25
Series Editor Series Title Abbreviated Series Title (up)
Series Volume Series Issue Edition
ISSN 0031-9007;1079-7114; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 8.462 Times cited 15 Open Access
Notes Goa; Iwt Approved Most recent IF: 8.462; 2013 IF: 7.728
Call Number UA @ lucian @ c:irua:107281 Serial 2524
Permanent link to this record
 
 
Author Amini, M.N.; Dixit, H.; Saniz, R.; Lamoen, D.; Partoens, B.
Title The origin of p-type conductivity in ZnM2O4 (M = Co, Rh, Ir) spinels Type A1 Journal article
Year 2014 Publication Physical chemistry, chemical physics Abbreviated Journal Phys Chem Chem Phys
Volume 16 Issue 6 Pages 2588-2596
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
Abstract ZnM2O4 (M = Co, Rh, Ir) spinels are considered as a class of potential p-type transparent conducting oxides (TCOs). We report the formation energy of acceptor-like defects using first principles calculations with an advanced hybrid exchange-correlation functional (HSE06) within density functional theory (DFT). Due to the discrepancies between the theoretically obtained band gaps with this hybrid functional and the – scattered – experimental results, we also perform GW calculations to support the validity of the description of these spinels with the HSE06 functional. The considered defects are the cation vacancy and antisite defects, which are supposed to be the leading source of disorder in the spinel structures. We also discuss the band alignments in these spinels. The calculated formation energies indicate that the antisite defects ZnM (Zn replacing M, M = Co, Rh, Ir) and VZn act as shallow acceptors in ZnCo2O4, ZnRh2O4 and ZnIr2O4, which explains the experimentally observed p-type conductivity in those systems. Moreover, our systematic study indicates that the ZnIr antisite defect has the lowest formation energy in the group and it corroborates the highest p-type conductivity reported for ZnIr2O4 among the group of ZnM2O4 spinels. To gain further insight into factors affecting the p-type conductivity, we have also investigated the formation of localized small polarons by calculating the self-trapping energy of the holes.
Address
Corporate Author Thesis
Publisher Place of Publication Cambridge Editor
Language Wos 000329926700040 Publication Date 2013-12-03
Series Editor Series Title Abbreviated Series Title (up)
Series Volume Series Issue Edition
ISSN 1463-9076;1463-9084; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.123 Times cited 47 Open Access
Notes Fwo; Goa; Hercules Approved Most recent IF: 4.123; 2014 IF: 4.493
Call Number UA @ lucian @ c:irua:114829 Serial 2525
Permanent link to this record
 
 
Author Fang, C.M.; Sluiter, M.H.F.; van Huis, M.; Ande, C.K.; Zandbergen, H.W.
Title Origin of predominance of cementite among iron carbides in steel at elevated temperature Type A1 Journal article
Year 2010 Publication Physical review letters Abbreviated Journal Phys Rev Lett
Volume 105 Issue 5 Pages 4
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract A long-standing challenge in physics is to understand why cementite is the predominant carbide in steel. Here we show that the prevalent formation of cementite can be explained only by considering its stability at elevated temperature. A systematic highly accurate quantum mechanical study was conducted on the stability of binary iron carbides. The calculations show that all the iron carbides are unstable relative to the elemental solids, -Fe and graphite. Apart from a cubic Fe23C6 phase, the energetically most favorable carbides exhibit hexagonal close-packed Fe sublattices. Finite-temperature analysis showed that contributions from lattice vibration and anomalous Curie-Weis magnetic ordering, rather than from the conventional lattice mismatch with the matrix, are the origin of the predominance of cementite during steel fabrication processes.
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000280472900008 Publication Date 2010-07-30
Series Editor Series Title Abbreviated Series Title (up)
Series Volume Series Issue Edition
ISSN 0031-9007;1079-7114; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 8.462 Times cited 65 Open Access
Notes Approved Most recent IF: 8.462; 2010 IF: 7.622
Call Number UA @ lucian @ c:irua:84064 Serial 2526
Permanent link to this record
 
 
Author Vodolazov, D.Y.; Peeters, F.M.
Title Origin of the hysteresis of the current voltage characteristics of superconducting microbridges near the critical temperature Type A1 Journal article
Year 2011 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 84 Issue 9 Pages 094511
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The current voltage (IV) characteristics of short [with length L less than or similar to xi(T)] and long [L >> xi(T)] microbridges are theoretically investigated near the critical temperature of the superconductor. Calculations are made in the nonlocal (local) limit when the inelastic relaxation length due to electron-phonon interactions L(in) = (D tau(in))(1/2) is larger (smaller) than the temperature-dependent coherence length xi(T) (D is the diffusion coefficient, tau(in) is the inelastic relaxation time of the quasiparticle distribution function). We find that, in both limits, the origin of the hysteresis in the IV characteristics is mainly connected with the large time scale over which the magnitude of the order parameter varies in comparison with the time-scale variation of the superconducting phase difference across the microbridge in the resistive state. In the nonlocal limit, the time-averaged heating and cooling of quasiparticles are found in different areas of the microbridge, which are driven, respectively, by oscillations of the order parameter and the electric field. We show that, by introducing an additional term in the time-dependent Ginzburg-Landau equation, it is possible to take into account the cooling effect in the local limit too.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000294920900009 Publication Date 2011-09-14
Series Editor Series Title Abbreviated Series Title (up)
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 7 Open Access
Notes ; This work was supported by the Russian Foundation for Basic Research, Russian Agency of Education under the Federal Target Programme“Scientific and educational personnel of innovative Russia in 2009-2013,” the Flemish Science Foundation (FWO-Vl), and the Belgian Science Policy (IAP). ; Approved Most recent IF: 3.836; 2011 IF: 3.691
Call Number UA @ lucian @ c:irua:105573 Serial 2527
Permanent link to this record
 
 
Author Sathiya, M.; Abakumov, A.M.; Foix, D.; Rousse, G.; Ramesha, K.; Saubanère, M.; Doublet, M. .; Vezin, H.; Laisa, C.P.; Prakash, A.S.; Gonbeau, D.; Van Tendeloo, G.; Tarascon, J.M.
Title Origin of voltage decay in high-capacity layered oxide electrodes Type A1 Journal article
Year 2015 Publication Nature materials Abbreviated Journal Nat Mater
Volume 14 Issue 14 Pages 230-238
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Although Li-rich layered oxides (Li1+xNiyCozMn1−x−y−zO2 > 250 mAh g−1) are attractive electrode materials providing energy densities more than 15% higher than todays commercial Li-ion cells, they suffer from voltage decay on cycling. To elucidate the origin of this phenomenon, we employ chemical substitution in structurally related Li2RuO3 compounds. Li-rich layered Li2Ru1−yTiyO3 phases with capacities of ~240 mAh g−1 exhibit the characteristic voltage decay on cycling. A combination of transmission electron microscopy and X-ray photoelectron spectroscopy studies reveals that the migration of cations between metal layers and Li layers is an intrinsic feature of the chargedischarge process that increases the trapping of metal ions in interstitial tetrahedral sites. A correlation between these trapped ions and the voltage decay is established by expanding the study to both Li2Ru1−ySnyO3 and Li2RuO3; the slowest decay occurs for the cations with the largest ionic radii. This effect is robust, and the finding provides insights into new chemistry to be explored for developing high-capacity layered electrodes that evade voltage decay.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000348600200024 Publication Date 2014-12-01
Series Editor Series Title Abbreviated Series Title (up)
Series Volume Series Issue Edition
ISSN 1476-1122;1476-4660; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 39.737 Times cited 395 Open Access
Notes 246791 Countatoms; 312483 Esteem2; esteem2_ta Approved Most recent IF: 39.737; 2015 IF: 36.503
Call Number c:irua:132555 c:irua:132555 Serial 2528
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Author Abakumov, A.M.; Hadermann, J.; Tsirlin, A.A.; Tan, H.; Verbeeck, J.; Zhang, H.; Dikarev, E.V.; Shpanchenko, R.V.; Antipov, E.V.
Title Original close-packed structure and magnetic properties of the Pb4Mn9O20 manganite Type A1 Journal article
Year 2009 Publication Journal of solid state chemistry Abbreviated Journal J Solid State Chem
Volume 182 Issue 8 Pages 2231-2238
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The crystal structure of the Pb4Mn9O20 compound (previously known as Pb0.43MnO2.18) was solved from powder X-ray diffraction, electron diffraction, and high resolution electron microscopy data (S.G. Pnma, a=13.8888(2) Å, b=11.2665(2) Å, c=9.9867(1) Å, RI=0.016, RP=0.047). The structure is based on a 6H (cch)2 close packing of pure oxygen h-type (O16) layers alternating with mixed c-type (Pb4O12) layers. The Mn atoms occupy octahedral interstices formed by the oxygen atoms of the close-packed layers. The MnO6 octahedra share edges within the layers, whereas the octahedra in neighboring layers are linked through corner sharing. The relationship with the closely related Pb3Mn7O15 structure is discussed. Magnetization measurements reveal a peculiar magnetic behavior with a phase transition at 52 K, a small net magnetization below the transition temperature, and a tendency towards spin freezing.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000269066400035 Publication Date 2009-06-12
Series Editor Series Title Abbreviated Series Title (up)
Series Volume Series Issue Edition
ISSN 0022-4596; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.299 Times cited 5 Open Access
Notes The authors are grateful to Christoph Geibel for the help in magnetization measurements. A.Ts. acknowledges MPI CKS for hospitality and financial support during the stay. E.D. thanks the National Science Foundation (CHE-0718900) for financial support. This work was supported by the Russian Foundation of Basic Research (RFBR Grants 07-03-00664-a, 06-03-90168-a and 07-03-00890-a). The authors acknowledge financial support from the European Union under the Framework 6 program under a contract for an Integrated Infrastructure Initiative. Reference 026019 ESTEEM. Approved Most recent IF: 2.299; 2009 IF: 2.340
Call Number UA @ lucian @ c:irua:78935UA @ admin @ c:irua:78935 Serial 2529
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Author Krekels, T.; Zou, H.; Van Tendeloo, G.; Wagner, D.; Buchgeister, M.; Hosseini, S.M.; Herzog, P.
Title Ortho II structure in ABa2Cu307-d compounds (A=Er, Nd, Pr, Sm, Yb), pp Type A1 Journal article
Year 1992 Publication Physica: C : superconductivity Abbreviated Journal Physica C
Volume 196 Issue Pages 363-368
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos A1992JC73400021 Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title (up)
Series Volume Series Issue Edition
ISSN 0921-4534 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 0.942 Times cited 52 Open Access
Notes Approved CHEMISTRY, PHYSICAL 77/144 Q3 # MATHEMATICS, INTERDISCIPLINARY 19/101 Q1 # PHYSICS, ATOMIC, MOLECULAR & CHEMICAL 17/35 Q2 #
Call Number UA @ lucian @ c:irua:4436 Serial 2530
Permanent link to this record
 
 
Author Krekels, T.; Zou, H.; Van Tendeloo, G.; Wagener, D.; Buchgeister, M.; Hosseini, S.M.; Herzog, P.
Title Ortho-II structure in ABa2Cu3O7-\delta compounds (A=Er, Nd, Pr, Sm, Yb) Type A1 Journal article
Year 1992 Publication Physica: C : superconductivity Abbreviated Journal Physica C
Volume 196 Issue 3-4 Pages 363-368
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Oxygen ordering has been investigated in superconducting ABa2Cu3O7-delta ceramic materials with A = Er, Nd, Sm and Yb, as well as in samples of this type with the rate earth A partially substituted by Pr. The critical temperature T(c) was determined as a function of the oxygen deficiency-delta of the compound and the corresponding microstructures were investigated by electron diffraction and electron microscopy. A distinct relationship exists between the width of the 60 K plateau and the ortho II ordering. Our results show that the ortho II ordered phase is the superconducting phase with a characteristic T(c) of 60 K.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos A1992JC73400021 Publication Date 2002-10-17
Series Editor Series Title Abbreviated Series Title (up)
Series Volume Series Issue Edition
ISSN 0921-4534; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 0.942 Times cited 52 Open Access
Notes Approved PHYSICS, APPLIED 28/145 Q1 #
Call Number UA @ lucian @ c:irua:104547 Serial 2531
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Author Huq, M.Z.; Celis, J.P.; Meneve, J.; Stals, L.; Schryvers, D.
Title Oscillating sliding wear of mono- and multilayer ceramic coatings in air Type A1 Journal article
Year 1999 Publication Surface and coatings technology Abbreviated Journal Surf Coat Tech
Volume 113 Issue Pages 242-250
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lausanne Editor
Language Wos 000079807600007 Publication Date 2002-07-25
Series Editor Series Title Abbreviated Series Title (up)
Series Volume Series Issue Edition
ISSN 0257-8972; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.589 Times cited 10 Open Access
Notes Approved Most recent IF: 2.589; 1999 IF: 1.008
Call Number UA @ lucian @ c:irua:29379 Serial 2532
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Author De Bie, C.; van Dijk, J.; Bogaerts, A.
Title The Dominant Pathways for the Conversion of Methane into Oxygenates and Syngas in an Atmospheric Pressure Dielectric Barrier Discharge Type A1 Journal article
Year 2015 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
Volume 119 Issue 119 Pages 22331-22350
Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract A one-dimensional fluid model for a dielectric barrier discharge in CH4/O2 and CH4/CO2 gas mixtures is developed. The model describes the gas-phase chemistry for partial oxidation and for dry reforming of methane. The spatially averaged densities of the various plasma species are presented as a function of time and initial gas mixing ratio. Besides, the conversion of the inlet gases and the selectivities of the reaction products are calculated. Syngas, higher hydrocarbons, and higher oxygenates are typically found to be important reaction products. Furthermore, the main underlying reaction pathways for the formation of syngas, methanol, formaldehyde, and other higher oxygenates are determined.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000362385700010 Publication Date 2015-09-10
Series Editor Series Title Abbreviated Series Title (up)
Series Volume Series Issue Edition
ISSN 1932-7447;1932-7455; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.536 Times cited 46 Open Access
Notes This work was carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI), and the Universiteit Antwerpen. The authors also acknowledge financial support from the IAP/7 (Interuniversity Attraction Pole) program “PSI-Physical Chemistry of Plasma- Surface Interactions” by the Belgian Federal Office for Science Policy (BELSPO) and from the Fund for Scientific Research Flanders (FWO). Approved Most recent IF: 4.536; 2015 IF: 4.772
Call Number c:irua:128774 Serial 3960
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Author Szaszko-Bogar, V.; Foeldi, P.; Peeters, F.M.
Title Oscillating spin-orbit interaction as a source of spin-polarized wavepackets in two-terminal nanoscale devices Type A1 Journal article
Year 2014 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat
Volume 26 Issue 13 Pages 135302
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Ballistic transport through nanoscale devices with time-dependent Rashba-type spin- orbit interaction (SOI) can lead to spin-polarized wavepackets that appear even for completely unpolarized input. The SOI that oscillates in a finite domain generates density and spin polarization fluctuations that leave the region as propagating waves. In particular, spin polarization has space and time dependence even in regions without SOI. Our results are based on an analytical solution of the time-dependent Schrodinger equation. The relevant Floquet quasi-energies that are obtained appear in the energy spectrum of both the transmitted and the reflected waves.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title (up)
Series Volume Series Issue Edition
ISSN 0953-8984 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.649 Times cited Open Access
Notes Approved Most recent IF: 2.649; 2014 IF: 2.346
Call Number UA @ lucian @ c:irua:116844 Serial 2533
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Author Szaszko-Bogar, V.; Peeters, F.M.; Foeldi, P.
Title Oscillating spin-orbit interaction in two-dimensional superlattices : sharp transmission resonances and time-dependent spin-polarized currents Type A1 Journal article
Year 2015 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 91 Issue 91 Pages 235311
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We consider ballistic transport through a lateral, two-dimensional superlattice with experimentally realizable, sinusoidally oscillating, Rashba-type spin-orbit interaction (SOI). The periodic structure of the rectangular lattice produces a spin-dependent miniband structure for static SOI. Using Floquet theory, transmission peaks are shown to appear in themini-bandgaps as a consequence of the additional, time-dependent SOI. A detailed analysis shows that this effect is due to the generation of harmonics of the driving frequency, via which, e.g., resonances that cannot be excited in the case of static SOI become available. Additionally, the transmitted current shows space-and time-dependent partial spin polarization, in other words, polarization waves propagate through the superlattice.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000355956500003 Publication Date 2015-06-10
Series Editor Series Title Abbreviated Series Title (up)
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 10 Open Access
Notes ; This work was partially supported by the European Union and the European Social Fund through Projects No. TAMOP-4.2.2.C-11/1/KONV-2012-0010 and No. TAMOP-4.2.2.A-11/1/KONV-2012-0060, and by the Hungarian Scientific Research Fund (OTKA) under Contracts No. T81364 and No. 116688. The ELI-ALPS Project (GOP-1.1.1-12/B-2012-0001) is supported by the European Union and cofinanced by the European Regional Development Fund. ; Approved Most recent IF: 3.836; 2015 IF: 3.736
Call Number c:irua:126432 Serial 2534
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Author Shanenko, A.A.; Croitoru, M.D.; Peeters, F.M.
Title Oscillations of the superconducting temperature induced by quantum well states in thin metallic films: numerical solution of the Bogoliubov-de Gennes equations Type A1 Journal article
Year 2007 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 75 Issue 1 Pages 014519,1-9
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000243894600126 Publication Date 2007-01-17
Series Editor Series Title Abbreviated Series Title (up)
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 85 Open Access
Notes Fwo-Vi; Bof-Top; Iap Approved Most recent IF: 3.836; 2007 IF: 3.172
Call Number UA @ lucian @ c:irua:63749 Serial 2535
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Author Peeters, F.M.; Matulis, A.; Helm, M.; Fromherz, T.; Hilber, W.
Title Oscillator strength and sum rule for inter-subband transitions in a superlattice Type A1 Journal article
Year 1993 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 48 Issue Pages 12008-12015
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos A1993ME60100058 Publication Date 2002-07-27
Series Editor Series Title Abbreviated Series Title (up)
Series Volume Series Issue Edition
ISSN 0163-1829;1095-3795; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.736 Times cited 28 Open Access
Notes Approved no
Call Number UA @ lucian @ c:irua:5782 Serial 2536
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Author Komulainen, S.; Verlackt, C.; Pursiainen, J.; Lajunen, M.
Title Oxidation and degradation of native wheat starch by acidic bromate in water at room temperature Type A1 Journal article
Year 2013 Publication Carbohydrate Polymers Abbreviated Journal Carbohyd Polym
Volume 93 Issue 1 Pages 73-80
Keywords A1 Journal article; Electron Microscopy for Materials Science (EMAT);
Abstract Native wheat starch was oxidized by benign acidic bromate in water at room temperature. HPLC-ELSD study indicated that starch degraded in the course of oxidation but it still had a polymeric structure characterized by H-1, C-13, HSQC and HMBC NMR measurements. Products were generally water-soluble fragments but the use of a short reaction time and dilute reaction mixture yielded water-insoluble products. Titration of the products showed, that the increase of the starch content and reaction time increased the content of carbonyl and carboxyl groups in the range of 0.5-2.5% and 1.7-17.2%, respectively, in the product fragments. A mechanism for the oxidation reaction was proposed. (C) 2012 Elsevier Ltd. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000316512900011 Publication Date 2012-06-21
Series Editor Series Title Abbreviated Series Title (up)
Series Volume Series Issue Edition
ISSN 0144-8617; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.811 Times cited 32 Open Access
Notes Approved Most recent IF: 4.811; 2013 IF: 3.916
Call Number UA @ lucian @ c:irua:108288 Serial 2537
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Author Scarrozza, M.; Pourtois, G.; Houssa, M.; Heyns, M.; Stesmans, A.
Title Oxidation of the GaAs(001) surface : insights from first-principles calculations Type A1 Journal article
Year 2012 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 85 Issue 19 Pages 195307-195307,8
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract We performed a detailed investigation of the oxidation of the technologically relevant GaAs(001)-beta 2(2x4) surface via density functional calculations. The purpose is to gain insights on the atomistic mechanisms and local bondings that underlie the degradation of the surface properties once exposed to oxygen. The study comprises the adsorption of single O atoms, through the sampling of several adsorption sites, and the subsequent formation of the O adsorbate at increasing coverage by taking into account multiple-atom adsorption. Based on the evaluation of the energetics and the structural properties of the atomistic models generated, the results here reported delineate a consistent picture of the initial stage of the surface oxidation: (i) at low coverage, in the limit of single O insertions, oxygen is incorporated on the surface forming a twofold-bridging Ga-O-As bond; (ii) at increasing coverage, as multiple O atoms are involved, this is accompanied by the formation of a threefold-coordinated bond (with two Ga and one As atoms); (iii) the latter has important implications regarding the electronic properties of the adsorbate since this O bonding may result in the formation of As dangling bonds. Moreover, a clear trend of increased energy gain for the incorporation of neighboring O atoms compared to single O insertions indicates that the formation of oxide clusters is favored over a regime of uniform oxidation. Our findings provide a detailed description of the O bonding and stress the importance of modeling the adsorption of multiple O atoms for an accurate description of the surface oxidation.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000303755700006 Publication Date 2012-05-08
Series Editor Series Title Abbreviated Series Title (up)
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 15 Open Access
Notes Approved Most recent IF: 3.836; 2012 IF: 3.767
Call Number UA @ lucian @ c:irua:99122 Serial 2538
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Author Kaminsky, F.V.; Ryabchikov, I.D.; McCammon, C.A.; Longo, M.; Abakumov, A.M.; Turner, S.; Heidari, H.
Title Oxidation potential in the Earth's lower mantle as recorded by ferropericlase inclusions in diamond Type A1 Journal article
Year 2015 Publication Earth and planetary science letters Abbreviated Journal Earth Planet Sc Lett
Volume 417 Issue 417 Pages 49-56
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Ferropericlase (fPer) inclusions from kimberlitic lower-mantle diamonds recovered in the Juina area, Mato Grosso State, Brazil were analyzed with transmission electron microscopy, electron energy-loss spectroscopy and the flank method. The presence of exsolved non-stoichiometric Fe3+-enriched clusters, varying in size from 1-2 nm to 10-15 nm and comprising similar to 3.64 vol.% of fPer was established. The oxidation conditions necessary for fPer formation within the uppermost lower mantle (P = 25 GPa, T = 1960 K) vary over a wide range: Delta log f(o2) (IW) from 1.58 to 7.76 (Delta = 6.2), reaching the fayalite-magnetite-quartz (FMQ) oxygen buffer position. This agrees with the identification of carbonates and free silica among inclusions within lower-mantle Juina diamonds. On the other hand, at the base of the lower mantle Delta log f(o2) values may lie at and below the iron-wustite (IW) oxygen buffer. Hence, the variations of Delta log f(o2) values within the entire sequence of the lower mantle may reach ten logarithmic units, varying from the IW buffer to the FMQ buffer values. The similarity between lower- and upper-mantle redox conditions supports whole mantle convection, as already suggested on the basis of nitrogen and carbon isotopic compositions in lower- and upper-mantle diamonds. The mechanisms responsible for redox differentiation in the lower mantle may include subduction of oxidized crustal material, mechanical separation of metallic phase(s) and silicate-oxide mineral assemblages enriched in ferric iron, as well as transfer of fused silicate-oxide material presumably also enriched in ferric iron through the mantle. (C) 2015 Elsevier B.V. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000351799400006 Publication Date 2015-03-05
Series Editor Series Title Abbreviated Series Title (up)
Series Volume Series Issue Edition
ISSN 0012-821X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.409 Times cited 23 Open Access
Notes Approved Most recent IF: 4.409; 2015 IF: 4.734
Call Number c:irua:125451 Serial 2539
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Author Viart, N.; Sayed Hassan, R.; Ulhaq-Bouillet, C.; Meny, C.; Panissod, P.; Loison, J.L.; Versini, G.; Huber, F.; Pourroy, G.; Verbeeck, J.; Van Tendeloo, G.
Title Oxidation processes at the metal/oxide interface in CoFe2/CoFe2O4 bilayers deposited by pulsed laser deposition Type A1 Journal article
Year 2006 Publication Acta materialia Abbreviated Journal Acta Mater
Volume 54 Issue 1 Pages 191-196
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract CoFe2/CoFe2O4 bilayers were made by pulsed laser ablation of a CoFe2 target on Si(I 0 0) substrates. The metallic layer was deposited first, in vacuum. The oxide was then deposited in an oxidizing O-2:N-2 (20:80) atmosphere. Two different procedures were used for the introduction of the oxidizing atmosphere in the deposition chamber: the laser ablation of the target was either stopped (discontinuous deposition process) or maintained (continuous deposition process) during the 20 min necessary for the establishment of the desired O-2:N-2 pressure. In both cases, the different electronegativities of Fe and Co cause an important modification of the Fe/Co ratio at the metal/oxide interface, with a depletion of Fe in the metal region and of Co in the oxide region. In the continuous procedure, the combination of the kinetic energy given by the ablation process to the Fe and Co adatoms with the one they get from their different affinity towards oxidation allows the formation of a low roughness metal/oxide interface with a high (111) preferred orientation of the CoFe2O4 layer, an induced re-crystallisation of the metal layer underneath and an unusual antiferromagnetic metal/oxide magnetic coupling. (c) 2005 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Oxford Editor
Language Wos 000233784500021 Publication Date 2005-10-15
Series Editor Series Title Abbreviated Series Title (up)
Series Volume Series Issue Edition
ISSN 1359-6454; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 5.301 Times cited 5 Open Access
Notes Approved Most recent IF: 5.301; 2006 IF: 3.549
Call Number UA @ lucian @ c:irua:56043UA @ admin @ c:irua:56043 Serial 2540
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Author Tan, H.; Verbeeck, J.; Abakumov, A.; Van Tendeloo, G.
Title Oxidation state and chemical shift investigation in transition metal oxides by EELS Type A1 Journal article
Year 2012 Publication Ultramicroscopy Abbreviated Journal Ultramicroscopy
Volume 116 Issue Pages 24-33
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Transition metal L2,3 electron energy-loss spectra for a wide range of V-, Mn- and Fe-based oxides were recorded and carefully analyzed for their correlation with the formal oxidation states of the transition metal ions. Special attention is paid to obtain an accurate energy scale which provides absolute energy positions for all core-loss edges. The white-line ratio method, chemical shift method, ELNES fitting method, two-parameter method and other methods are compared and their validity is discussed. Both the ELNES fitting method and the chemical shift method have the advantage of a wide application range and good consistency but require special attention to accurately measure the core-loss edge position. The obtained conclusions are of fundamental importance, e.g., for obtaining atomic resolution oxidation state information in modern experiments.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000304473700004 Publication Date 2012-03-10
Series Editor Series Title Abbreviated Series Title (up)
Series Volume Series Issue Edition
ISSN 0304-3991; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.843 Times cited 413 Open Access
Notes Fwo Approved Most recent IF: 2.843; 2012 IF: 2.470
Call Number UA @ lucian @ c:irua:96959UA @ admin @ c:irua:96959 Serial 2541
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