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	Author	Vandenberghe, W.; Sorée, B.; Magnus, W.; Fischetti, M.V.
	Title	Generalized phonon-assisted Zener tunneling in indirect semiconductors with non-uniform electric fields : a rigorous approach			Type	A1 Journal article
	Year	2011	Publication	Journal of applied physics	Abbreviated Journal	J Appl Phys
	Volume	109	Issue	12	Pages	124503-124503,12
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	A general framework to calculate the Zener current in an indirect semiconductor with an externally applied potential is provided. Assuming a parabolic valence and conduction band dispersion, the semiconductor is in equilibrium in the presence of the external field as long as the electron-phonon interaction is absent. The linear response to the electron-phonon interaction results in a non-equilibrium system. The Zener tunneling current is calculated from the number of electrons making the transition from valence to conduction band per unit time. A convenient expression based on the single particle spectral functions is provided, enabling the evaluation of the Zener tunneling current under any three-dimensional potential profile. For a one-dimensional potential profile an analytical expression is obtained for the current in a bulk semiconductor, a semiconductor under uniform field, and a semiconductor under a non-uniform field using the WKB (Wentzel-Kramers-Brillouin) approximation. The obtained results agree with the Kane result in the low field limit. A numerical example for abrupt p-n diodes with different doping concentrations is given, from which it can be seen that the uniform field model is a better approximation than the WKB model, but a direct numerical treatment is required for low bias conditions.
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000292331200134	Publication Date	2011-06-21
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0021-8979;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.068	Times cited	41	Open Access
	Notes	; William Vandenberghe gratefully acknowledges the support of a Ph.D. stipend from the Institute for the Promotion of Innovation through Science and Technology in Flanders (IWT-Vlaanderen). ;			Approved	Most recent IF: 2.068; 2011 IF: 2.168
	Call Number	UA @ lucian @ c:irua:90808			Serial	1325
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	Author	Engbarth, M.A.; Bending, S.J.; Milošević, M.V.
	Title	Geometry-driven vortex states in type-I superconducting Pb nanowires			Type	A1 Journal article
	Year	2011	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	83	Issue	22	Pages	224504-224504,7
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Hall probe magnetometry has been used to investigate the magnetization of individual cylindrically shaped Pb nanowires grown by electrocrystallization on a highly oriented pyrolytic graphite electrode. These measurements have been interpreted by comparison with three-dimensional Ginzburg-Landau (GL) calculations for nanowires with our sample parameters. We find that the measured superheating field and the critical field for surface superconductivity are strongly influenced by the temperature-dependent coherence length, ξ(T) and penetration depth λ(T) and their relationship to the nanowire diameter. As the temperature is increased toward Tc this drives a change in the superconductor-normal transition from first order irreversible to first order reversible and finally second order reversible. We find that the geometrical flux confinement in our type-I nanowires leads to the formation of a one-dimensional row of single-quantum vortices. While GL calculations show a quite uniform distribution of vortices in thin nanowires, clear vortex bunching is found as the diameter increases, suggesting a transition to a more classical type-I behavior. Subtle changes in minor magnetization loops also indicate that slightly different flux configurations can form with the same vorticity, which depend on the sample history.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000291888300012	Publication Date	2011-06-21
	Series Editor		Series Title		Abbreviated Series Title
	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	19	Open Access
	Notes	; We acknowledge valuable conversations with F. V. Kusmartsev and W. M. Wu at Loughborough University, UK. This work was supported by the EPSRC-UK under Grant No. EP/E039944/1, and the Flemish Science Foundation (FWO). ;			Approved	Most recent IF: 3.836; 2011 IF: 3.691
	Call Number	UA @ lucian @ c:irua:90927			Serial	1331
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	Author	Galván Moya, J.E.; Peeters, F.M.
	Title	Ginzburg-Landau theory of the zigzag transition in quasi-one-dimensional classical Wigner crystals			Type	A1 Journal article
	Year	2011	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	84	Issue	13	Pages	134106,1-134106,10
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We present a mean-field description of the zigzag phase transition of a quasi-one-dimensional system of strongly interacting particles, with interaction potential r−ne−r/λ, that are confined by a power-law potential (yα). The parameters of the resulting one-dimensional Ginzburg-Landau theory are determined analytically for different values of α and n. Close to the transition point for the zigzag phase transition, the scaling behavior of the order parameter is determined. For α=2, the zigzag transition from a single to a double chain is of second order, while for α>2, the one-chain configuration is always unstable and, for α<2, the one-chain ordered state becomes unstable at a certain critical density, resulting in jumps of single particles out of the chain.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000296289500004	Publication Date	2011-10-18
	Series Editor		Series Title		Abbreviated Series Title
	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	16	Open Access
	Notes	; This work was supported by the Flemish Science Foundation (FWO-Vl). ;			Approved	Most recent IF: 3.836; 2011 IF: 3.691
	Call Number	UA @ lucian @ c:irua:93583			Serial	1345
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	Author	Masir, M.R.; Vasilopoulos, P.; Peeters, F.M.
	Title	Graphene in inhomogeneous magnetic fields : bound, quasi-bound and scattering states			Type	A1 Journal article
	Year	2011	Publication	Journal of physics : condensed matter	Abbreviated Journal	J Phys-Condens Mat
	Volume	23	Issue	31	Pages	315301,1-315301,14
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	The electron states in graphene-based magnetic dot and magnetic ring structures and combinations of both are investigated. The corresponding spectra are studied as a function of the radii, the strengths of the inhomogeneous magnetic field and of a uniform background field, the strength of an electrostatic barrier and the angular momentum quantum number. In the absence of an external magnetic field we have only long-lived quasi-bound and scattering states and we assess their influence on the density of states. In addition, we consider elastic electron scattering by a magnetic dot, whose average B vanishes, and show that the Hall and longitudinal resistivities, as a function of the Fermi energy, exhibit a pronounced oscillatory structure due to the presence of quasi-bound states. Depending on the dot parameters this oscillatory structure differs substantially for energies below and above the first Landau level.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000293008900002	Publication Date	2011-07-16
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0953-8984;1361-648X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.649	Times cited	38	Open Access
	Notes	; This work was supported by the European Science Foundation (ESF) under the EUROCORES Program EuroGRAPHENE, the Canadian NSERC grant no. OGP0121756 and the Belgian Science Policy (IAP). We acknowledge discussions and correspondence with Professor A Matulis. ;			Approved	Most recent IF: 2.649; 2011 IF: 2.546
	Call Number	UA @ lucian @ c:irua:91176			Serial	1372
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	Author	de Clippel, F.; Harkiolakis, A.; Vosch, T.; Ke, X.; Giebeler, L.; Oswald, S.; Houthoofd, K.; Jammaer, J.; Van Tendeloo, G.; Martens, J.A.; Jacobs, P.A.; Baron, G.V.; Sels, B.F.; Denayer, J.F.M.
	Title	Graphitic nanocrystals inside the pores of mesoporous silica : synthesis, characterization and an adsorption study			Type	A1 Journal article
	Year	2011	Publication	Microporous and mesoporous materials: zeolites, clays, carbons and related materials	Abbreviated Journal	Micropor Mesopor Mat
	Volume	144	Issue	1/3	Pages	120-133
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	This work presents a new carbonsilica hybrid material, denoted as CSM, with remarkable sorption properties. It consists of intraporous graphitic nanocrystals grown in the pores of mesoporous silica. CSM is obtained by a subtle incipient wetness impregnation of Al-containing mesoporous silica with furfuryl alcohol (FA)/hemelitol solutions. Both the volume match of the impregnation solution with that of the silica template pore volume, and the presence of Al3+ in the silica, are crucial to polymerize FA selectively inside the mesopores. Carbonization of the intraporous polymer was then performed by pyrolysis under He up to 1273 K. The resulting CSMs were examined by SEM, HRTEM, 27Al MAS NMR, N2 adsorption, XRD, TGA, TPD, XPS, pycnometry and Raman spectroscopy. Mildly oxidized graphitic-like carbon nanoblocks, consisting of a few graphene-like sheets, were thus identified inside the template mesopores. Random stacking of these carbon crystallites generates microporosity resulting in biporous materials at low carbon content and microporous materials at high carbon loadings. Very narrow pore distributions were obtained when pyrolysis was carried out under slow heating rate, viz. 1 K min−1. Adsorption and shape selective properties of the carbon filled mesoporous silica were studied by performing pulse chromatography and breakthrough experiments, and by measuring adsorption isotherms of linear and branched alkanes. Whereas the parent mesoporous silica shows unselective adsorption, their CSM analogues preferentially adsorb linear alkanes. The sorption capacity and selectivity can be adjusted by changing the pore size of the template or by varying the synthesis conditions. A relation between the carbon crystallites size and the shape selective behaviour of the corresponding CSM for instance is demonstrated. Most interestingly, CSM shows separation factors for linear and branched alkanes up to values comparable to those of zeolitic molecular sieves.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000293435400016	Publication Date	2011-04-15
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1387-1811;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.615	Times cited	15	Open Access
	Notes				Approved	Most recent IF: 3.615; 2011 IF: 3.285
	Call Number	UA @ lucian @ c:irua:92325			Serial	1380
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	Author	Stankovski, M.; Antonius, G.; Waroquiers, D.; Miglio, A.; Dixit, H.; Sankaran, K.; Giantomassi, M.; Gonze, X.; Côté, M.; Rignanese, G.-M.
	Title	G⁰W⁰ band gap of ZnO : effects of plasmon-pole models			Type	A1 Journal article
	Year	2011	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	84	Issue	24	Pages	241201-241201,5
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Carefully converged calculations are performed for the band gap of ZnO within many-body perturbation theory (G0W0 approximation). The results obtained using four different well-established plasmon-pole models are compared with those of explicit calculations without such models (the contour-deformation approach). This comparison shows that, surprisingly, plasmon-pole models depending on the f-sum rule gives less precise results. In particular, it confirms that the band gap of ZnO is underestimated in the G0W0 approach as compared to experiment, contrary to the recent claim of Shih et al. [ Phys. Rev. Lett. 105 146401 (2010)].
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000297766600001	Publication Date	2011-12-06
	Series Editor		Series Title		Abbreviated Series Title
	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	81	Open Access
	Notes	; The authors would like to thank P. Zhang, S. Louie, J. Deslippe, P. Rinke, H. Jiang, C. Friedrich, and F. Bruneval for many helpful discussions. We are also very grateful to Y. Pouillon, A. Jacques, and J.-M. Beuken for their technical aid and expertise. M.C. and G.A. would like to acknowledge the support of NSERC and FQRNT. This work was supported by the Interuniversity Attraction Poles program (P6/42)-Belgian State-Belgian Science Policy, the Flemish Science Foundation (FWO-Vl) ISIMADE project, the EU's 7th Framework programme through the ETSF I3 e-Infrastructure project (Grant Agreement No. 211956), the Communaute francaise de Belgique, through the Action de Recherche Concertee 07/ 12-003 “Nanosystemes hybrides metal-organiques”, and the FNRS through FRFC Project No. 2.4.589.09.F. ;			Approved	Most recent IF: 3.836; 2011 IF: 3.691
	Call Number	UA @ lucian @ c:irua:93963			Serial	3533
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	Author	Vodolazov, D.Y.; Peeters, F.M.
	Title	Heating of quasiparticles driven by oscillations of the order parameter in short superconducting microbridges			Type	A1 Journal article
	Year	2011	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	83	Issue	22	Pages	224523-224523,6
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We predict heating of quasiparticles driven by order parameter oscillations in the resistive state of short superconducting microbridges. The finite relaxation time of the magnitude of the order parameter \|Δ\| and the dependence of the spectral functions both on \|Δ\| and the supervelocity Q are the origin of this effect. Our results are opposite to those of Aslamazov and Larkin [ Zh. Eks. Teor. Fiz. 70 1340 (1976)] and Schmid et al. [ Phys. Rev. B 21 5076 (1980)] where cooling of quasiparticles was found.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000292218200010	Publication Date	2011-06-29
	Series Editor		Series Title		Abbreviated Series Title
	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	4	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,” 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:90924			Serial	1415
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	Author	de Nolf, W.; Dik, J.; van der Snickt, G.; Wallert, A.; Janssens, K.
	Title	High energy X-ray powder diffraction for the imaging of (hidden) paintings			Type	A1 Journal article
	Year	2011	Publication	Journal of analytical atomic spectrometry	Abbreviated Journal	J Anal Atom Spectrom
	Volume	26	Issue	5	Pages	910-916
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	Over the past few years a number of innovative imaging techniques have been introduced for the visualization of hidden paint layers in Old Master Paintings. These include X-ray fluorescence scanning, TeraHertz imaging, optical coherence tomography and other acoustics-based forms of visualization. All of these techniques are usually a trade-off between their penetrative capability on the one side and their analytical precision in terms of spatial resolution and material identification on the other. Here, we present the first-time use of High-Energy X-ray Powder Diffraction imaging (HE-XRPD) in the study of hidden layers in paintings. As an imaging tool, it combines high-depth sensitivity with fingerprint identification of most inorganic painting materials. The potential as well as some limitations of this technique are demonstrated using model paintings as well as an authentic 16th century painting.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000289731900005	Publication Date	2011-03-17
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0267-9477	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.379	Times cited	34	Open Access
	Notes	; ;			Approved	Most recent IF: 3.379; 2011 IF: 3.220
	Call Number	UA @ admin @ c:irua:89922			Serial	5640
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	Author	de Backer, A.; Van Aert, S.; van Dyck, D.
	Title	High precision measurements of atom column positions using model-based exit wave reconstruction			Type	A1 Journal article
	Year	2011	Publication	Ultramicroscopy	Abbreviated Journal	Ultramicroscopy
	Volume	111	Issue	9/10	Pages	1475-1482
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
	Abstract	In this paper, it has been investigated how to measure atom column positions as accurately and precisely as possible using a focal series of images. In theory, it is expected that the precision would considerably improve using a maximum likelihood estimator based on the full series of focal images. As such, the theoretical lower bound on the variances of the unknown atom column positions can be attained. However, this approach is numerically demanding. Therefore, maximum likelihood estimation has been compared with the results obtained by fitting a model to a reconstructed exit wave rather than to the full series of focal images. Hence, a real space model-based exit wave reconstruction technique based on the channelling theory is introduced. Simulations show that the reconstructed complex exit wave contains the same amount of information concerning the atom column positions as the full series of focal images. Only for thin samples, which act as weak phase objects, this information can be retrieved from the phase of the reconstructed complex exit wave.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000300461200004	Publication Date	2011-07-28
	Series Editor		Series Title		Abbreviated Series Title
	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	8	Open Access
	Notes	Fwo			Approved	Most recent IF: 2.843; 2011 IF: 2.471
	Call Number	UA @ lucian @ c:irua:91879			Serial	1438
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	Author	Turner, S.; Lazar, S.; Freitag, B.; Egoavil, R.; Verbeeck, J.; Put, S.; Strauven, Y.; Van Tendeloo, G.
	Title	High resolution mapping of surface reduction in ceria nanoparticles			Type	A1 Journal article
	Year	2011	Publication	Nanoscale	Abbreviated Journal	Nanoscale
	Volume	3	Issue	8	Pages	3385-3390
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Surface reduction of ceria nano octahedra with predominant {111} and {100} type surfaces is studied using a combination of aberration-corrected Transmission Electron Microscopy (TEM) and spatially resolved electron energy-loss spectroscopy (EELS) at high energy resolution and atomic spatial resolution. The valency of cerium ions at the surface of the nanoparticles is mapped using the fine structure of the Ce M4,5 edge as a fingerprint. The valency of the surface cerium ions is found to change from 4+ to 3+ owing to oxygen deficiency (vacancies) close to the surface. The thickness of this Ce3+ shell is measured using atomic-resolution Scanning Transmission Electron Microscopy (STEM)-EELS mapping over a {111} surface (the predominant facet for this ceria morphology), {111} type surface island steps and {100} terminating planes. For the {111} facets and for {111} surface islands, the reduction shell is found to extend over a single fully reduced surface plane and 12 underlying mixed valency planes. For the {100} facets the reduction shell extends over a larger area of 56 oxygen vacancy-rich planes. This finding provides a plausible explanation for the higher catalytic activity of the {100} surface facets in ceria.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Cambridge	Editor
	Language		Wos	000293521700057	Publication Date	2011-06-30
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2040-3364;2040-3372;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	7.367	Times cited	127	Open Access
	Notes	Fwo			Approved	Most recent IF: 7.367; 2011 IF: 5.914
	Call Number	UA @ lucian @ c:irua:90361UA @ admin @ c:irua:90361			Serial	1458
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	Author	Dong, H.M.; Xu, W.; Peeters, F.M.
	Title	High-field transport properties of graphene			Type	A1 Journal article
	Year	2011	Publication	Journal of applied physics	Abbreviated Journal	J Appl Phys
	Volume	110	Issue	6	Pages	063704,1-063704,6
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We present a theoretical investigation on the transport properties of graphene in the presence of high dc driving fields. Considering electron interactions with impurities and acoustic and optical phonons in graphene, we employ the momentum- and energy-balance equations derived from the Boltzmann equation to self-consistently evaluate the drift velocity and temperature of electrons in graphene in the linear and nonlinear response regimes. We find that the current-voltage relation exhibits distinctly nonlinear behavior, especially in the high electric field regime. Under the action of high-fields the large source-drain (sd) current density can be achieved and the current saturation in graphene is incomplete with increasing the sd voltage Vsd up to 3 V. Moreover, for high fields, Vsd>0.1 V, the heating of electrons in graphene occurs. It is shown that the sd current and electron temperature are sensitive to electron density and lattice temperature in the graphene device. This study is relevant to the application of graphene as high-field nano-electronic devices such as graphene field-effect transistors.
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000295619300059	Publication Date	2011-09-19
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0021-8979;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.068	Times cited	17	Open Access
	Notes	; This work was supported by the National Natural Science Foundation of China (Grant No. 10974206) and the Department of Science and Technology of Yunnan Province. ;			Approved	Most recent IF: 2.068; 2011 IF: 2.168
	Call Number	UA @ lucian @ c:irua:93614			Serial	1433
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	Author	Földi, P.; Szaszkó-Bogár, V.; Peeters, F.M.
	Title	High-temperature conductance of a two-dimensional superlattice controlled by spin-orbit interaction			Type	A1 Journal article
	Year	2011	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	83	Issue	11	Pages	115313-115313,6
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Rashba-type spin-orbit interaction (SOI) controlled band structure of a two-dimensional superlattice allows for the modulation of the conductance of finite size devices by changing the strength of the SOI. We consider rectangular arrays and find that the temperature dependence of the conductance disappears for high temperatures, but the strength of the SOI still affects the conductance at these temperatures. The modulation effect can be seen even in the presence of strong dephasing, which can be important for practical applications.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000288242800007	Publication Date	2011-03-11
	Series Editor		Series Title		Abbreviated Series Title
	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	8	Open Access
	Notes	; We thank M. G. Benedict and F. Bartha for useful discussions. This work was supported by the Flemish Science Foundation (FWO-Vl), the Belgian Science Policy (IAP), the Hungarian Scientific Research Fund (OTKA) under Contracts No. T81364 and M045596 and by the “TAMOP-4.2.1/B-09/1/KONV-2010-0005 project: Creating the Center of Excellence at the University of Szeged” supported by the EU and the European Regional Development Fund. P.F. was supported by a J. Bolyai grant of the Hungarian Academy of Sciences. ;			Approved	Most recent IF: 3.836; 2011 IF: 3.691
	Call Number	UA @ lucian @ c:irua:88778			Serial	1466
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	Author	Lebedev, O.I.; Caignaert, V.; Raveau, B.; Pop, N.; Gozzo, F.; Van Tendeloo, G.; Pralong, V.
	Title	HRTEM and neutron diffraction study of Li_xMo₅O₁₇ : from the ribbon (x=5) structure to the rock salt (x=12) structure			Type	A1 Journal article
	Year	2011	Publication	Journal of solid state chemistry	Abbreviated Journal	J Solid State Chem
	Volume	184	Issue	4	Pages	790-796
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Structure determination of the fully intercalated phase Li12Mo5O17 and of the deintercalated oxide Li5Mo5O17 has been carried out by electron microscopy and neutron powder diffraction. The reversible topotactic transformation between the ordered rock salt structure of the former and the ribbon structure of the latter (closely related to that of Li4Mo5O17) is explained on the following basis: both structures can be described as strips built up as an assembly of infinite ribbons of MoO6 octahedra that are five octahedra thick, and that differ by slight displacements of the octahedral ribbons. We show that the electrochemical behavior of the LixMo5O17 system is based on two sorts of Li+ sites; those that are located within the strips between the ribbons, and those that are located at the border of the strips. The high rate of Li intercalation in this oxide and its reversibility are discussed in terms of its peculiar structure.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000289597100010	Publication Date	2011-02-12
	Series Editor		Series Title		Abbreviated Series Title
	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	1	Open Access
	Notes	Esteem 026019			Approved	Most recent IF: 2.299; 2011 IF: 2.159
	Call Number	UA @ lucian @ c:irua:88646			Serial	1515
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	Author	Amini, M.N.; Saniz, R.; Lamoen, D.; Partoens, B.
	Title	Hydrogen impurities and native defects in CdO			Type	A1 Journal article
	Year	2011	Publication	Journal of applied physics	Abbreviated Journal	J Appl Phys
	Volume	110	Issue	6	Pages	063521,1-063521,7
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
	Abstract	We have used first-principles calculations based on density functional theory to study point defects in CdO within the local density approximation and beyond (LDA+U). Hydrogen interstitials and oxygen vacancies are found to act as shallow donors and can be interpreted as the cause of conductivity in CdO. Hydrogen can also occupy an oxygen vacancy in its substitutional form and also acts as a shallow donor. Similar to what was found for ZnO and MgO, hydrogen creates a multicenter bond with its six oxygen neighbors in CdO. The charge neutrality level for native defects and hydrogen impurities has been calculated. It is shown that in the case of native defects, it is not uniquely defined. Indeed, this level depends highly on the chemical potentials of the species and one can obtain different values for different end states in the experiment. Therefore, a comparison with experiment can only be made if the chemical potentials of the species in the experiment are well defined. However, for the hydrogen interstitial defect, since this level is independent of the chemical potential of hydrogen, one can obtain a unique value for the charge neutrality level. We find that the Fermi level stabilizes at 0.43 eV above the conduction band minimum in the case of the hydrogen interstitial defect, which is in good agreement with the experimentally reported value of 0.4 eV.
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000295619300041	Publication Date	2011-09-23
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0021-8979;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.068	Times cited	13	Open Access
	Notes	; The authors gratefully acknowledge financial support from the IWT-Vlaanderen through the ISIMADE project, the FWO-Vlaanderen through Project G.0191.08 and the BOF-NOI of the University of Antwerp. This work was carried out using the HPC infrastructure at the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Center VSC. ;			Approved	Most recent IF: 2.068; 2011 IF: 2.168
	Call Number	UA @ lucian @ c:irua:93613			Serial	1533
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	Author	Varley, J.B.; Peelaers, H.; Janotti, A.; van de Walle, C.G.
	Title	Hydrogenated cation vacancies in semiconducting oxides			Type	A1 Journal article
	Year	2011	Publication	Journal of physics : condensed matter	Abbreviated Journal	J Phys-Condens Mat
	Volume	23	Issue	33	Pages	334212,1-334212,9
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Using first-principles calculations we have studied the electronic and structural properties of cation vacancies and their complexes with hydrogen impurities in SnO2, In2O3 and β-Ga2O3. We find that cation vacancies have high formation energies in SnO2 and In2O3 even in the most favorable conditions. Their formation energies are significantly lower in β-Ga2O3. Cation vacancies, which are compensating acceptors, strongly interact with H impurities resulting in complexes with low formation energies and large binding energies, stable up to temperatures over 730 °C. Our results indicate that hydrogen has beneficial effects on the conductivity of transparent conducting oxides: it increases the carrier concentration by acting as a donor in the form of isolated interstitials, and by passivating compensating acceptors such as cation vacancies; in addition, it potentially enhances carrier mobility by reducing the charge of negatively charged scattering centers. We have also computed vibrational frequencies associated with the isolated and complexed hydrogen, to aid in the microscopic identification of centers observed by vibrational spectroscopy.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000294060600014	Publication Date	2011-08-04
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0953-8984;1361-648X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.649	Times cited	125	Open Access
	Notes	; We gratefully acknowledge useful discussions with M D Mc-Cluskey, O Bierwagen and J Speck. The work was supported by the NSF MRSEC Program (DMR05-20415), the Flemish Science Foundation (FWO-VI), the Belgian American Educational Foundation, and by Saint-Gobain Research, and made use of computing facilities at CNSI (NSF grant No. CHE-0321368), TeraGrid and TACC (NSF grant No. DMR070072N), and NERSC (DOE Office of Science Contract No. DE-AC02-05CH11231). ;			Approved	Most recent IF: 2.649; 2011 IF: 2.546
	Call Number	UA @ lucian @ c:irua:92415			Serial	1534
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	Author	Neyts, E.C.; Khalilov, U.; Pourtois, G.; van Duin, A.C.T.
	Title	Hyperthermal oxygen interacting with silicon surfaces : adsorption, implantation, and damage creation			Type	A1 Journal article
	Year	2011	Publication	The journal of physical chemistry: C : nanomaterials and interfaces	Abbreviated Journal	J Phys Chem C
	Volume	115	Issue	15	Pages	4818-4823
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	Using reactive molecular dynamics simulations, we have investigated the effect of single-impact, low-energy (thermal-100 eV) bombardment of a Si(100){2 × 1} surface by atomic and molecular oxygen. Penetration probability distributions, as well as defect formation distributions, are presented as a function of the impact energy for both species. It is found that at low impact energy, defects are created chemically due to the chemisorption process in the top layers of the surface, while at high impact energy, additional defects are created by a knock-on displacement of Si. These results are of particular importance for understanding device performances of silica-based microelectronic and photovoltaic devices.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Washington, D.C.	Editor
	Language		Wos	000288401200060	Publication Date	2011-03-02
	Series Editor		Series Title		Abbreviated Series Title
	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	28	Open Access
	Notes				Approved	Most recent IF: 4.536; 2011 IF: 4.805
	Call Number	UA @ lucian @ c:irua:89858			Serial	1543
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	Author	Orlinskii, S.B.; Bogomolov, R.S.; Kiyamova, A.M.; Yavkin, B.V.; Mamin, G.M.; Turner, S.; Van Tendeloo, G.; Shiryaev, A.A.; Vlasov, I.I.; Shenderova, O.
	Title	Identification of substitutional nitrogen and surface paramagnetic centers in nanodiamond of dynamic synthesis by electron paramagnetic resonance			Type	A1 Journal article
	Year	2011	Publication	Nanoscience and nanotechnology letters	Abbreviated Journal	Nanosci Nanotech Let
	Volume	3	Issue	1	Pages	63-67
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Production of nanodiamond particles containing substitutional nitrogen is important for a wide variety of advanced applications. In the current work nanodiamond particles synthesized from a mixture of graphite and hexogen were analyzed to determine the presence of substitutional nitrogen using pulsed electron paramagnetic resonance (EPR) spectroscopy. Nitrogen paramagnetic centers in the amount of 1.2 ppm have been identified. The spin relaxation characteristics for both nitrogen and surface defects are also reported. A new approach for efficient depletion of the strong non-nitrogen EPR signal in nanodiamond material by immersing nanodiamond particles into ice matrix is suggested. This approach allows an essential decrease of the spin relaxation time of the dominant non-nitrogen defects, while preserving the substitutional nitrogen spin relaxation time.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000293211200012	Publication Date	2011-09-19
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1941-4900;1941-4919;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.889	Times cited	14	Open Access
	Notes				Approved	Most recent IF: 1.889; 2011 IF: 0.528
	Call Number	UA @ lucian @ c:irua:91943			Serial	1548
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	Author	Vernimmen, J.; Guidotti, M.; Silvestre-Albero, J.; Jardim, E.O.; Mertens, M.; Lebedev, O.I.; Van Tendeloo, G.; Psaro, R.; Rodríguez-Reinoso, F.; Meynen, V.; Cool, P.
	Title	Immersion calorimetry as a tool to evaluate the catalytic performance of titanosilicate materials in the epoxidation of cyclohexene			Type	A1 Journal article
	Year	2011	Publication	Langmuir: the ACS journal of surfaces and colloids	Abbreviated Journal	Langmuir
	Volume	27	Issue	7	Pages	3618-3625
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA)
	Abstract	Different types of titanosilicates are synthesized, structurally characterized, and subsequently catalytically tested in the liquid-phase epoxidation of cyclohexene. The performance of three types of combined zeolitic/mesoporous materials is compared with that of widely studied Ti-grafted-MCM-41 molecular sieve and the TS-1 microporous titanosilicate. The catalytic test results are correlated with the structural characteristics of the different catalysts. Moreover, for the first time, immersion calorimetry with the same substrate molecule as in the catalytic test reaction is applied as an extra means to interpret the catalytic results. A good correlation between catalytic performance and immersion calorimetry results is found. This work points out that the combination of catalytic testing and immersion calorimetry can lead to important insights into the influence of the materials structural characteristics on catalysis. Moreover, the potential of using immersion calorimetry as a screening tool for catalysts in epoxidation reactions is shown.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Washington, D.C.	Editor
	Language		Wos	000288970900054	Publication Date	2011-02-23
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0743-7463;1520-5827;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.833	Times cited	19	Open Access
	Notes				Approved	Most recent IF: 3.833; 2011 IF: 4.186
	Call Number	UA @ lucian @ c:irua:88366			Serial	1557
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	Author	Vandenberghe, W.G.; Sorée, B.; Magnus, W.; Groeseneken, G.; Fischetti, M.V.
	Title	Impact of field-induced quantum confinement in tunneling field-effect devices			Type	A1 Journal article
	Year	2011	Publication	Applied physics letters	Abbreviated Journal	Appl Phys Lett
	Volume	98	Issue	14	Pages	143503,1-143503,3
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Being the working principle of a tunnel field-effect transistor, band-to-band tunneling is given a rigorous quantum mechanical treatment to incorporate confinement effects, multiple electron and hole valleys, and interactions with phonons. The model reveals that the strong band bending near the gate dielectric, required to create short tunnel paths, results in quantization of the energy bands. Comparison with semiclassical models reveals a big shift in the onset of tunneling. The effective mass difference of the distinct valleys is found to reduce the subthreshold swing steepness.
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000289297800074	Publication Date	2011-04-06
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0003-6951;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.411	Times cited	76	Open Access
	Notes	; The authors acknowledge Anne Verhulst for useful discussions. William Vandenberghe gratefully acknowledges the support of a Ph.D. stipend from the Institute for the Promotion of Innovation through Science and Technology in Flanders (IWT-Vlaanderen). This work was supported by IMEC's Industrial Affiliation Program. ;			Approved	Most recent IF: 3.411; 2011 IF: 3.844
	Call Number	UA @ lucian @ c:irua:89297			Serial	1559
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	Author	Li, Z.; Covaci, L.; Berciu, M.; Baillie, D.; Marsiglio, F.
	Title	Impact of spin-orbit coupling on the Holstein polaron			Type	A1 Journal article
	Year	2011	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	83	Issue	19	Pages	195104-195104,9
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We utilize an exact variational numerical procedure to calculate the ground state properties of a polaron in the presence of a Rashba-like spin-orbit interaction. Our results corroborate previous work performed with the momentum average approximation and with weak-coupling perturbation theory. We find that spin-orbit coupling increases the effective mass in the regime with weak electron-phonon coupling, and decreases the effective mass in the regimes of intermediate and strong electron-phonon coupling. Analytical strong-coupling perturbation theory results confirm our numerical results in the small-polaron regime. A large amount of spin-orbit coupling can lead to a significant lowering of the polaron effective mass.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000290162500001	Publication Date	2011-05-03
	Series Editor		Series Title		Abbreviated Series Title
	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	9	Open Access
	Notes	; This work was supported in part by the Natural Sciences and Engineering Research Council of Canada (NSERC), by ICORE (Alberta), by Alberta Ingenuity, by the Flemish Science Foundation (FWO-Vl), and by the Canadian Institute for Advanced Research (CIfAR). ;			Approved	Most recent IF: 3.836; 2011 IF: 3.691
	Call Number	UA @ lucian @ c:irua:89718			Serial	1561
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	Author	Schalm, O.; Cabal, A.; van Espen, P.; Laquière, N.; Storme, P.
	Title	Improved radiographic methods for the investigation of paintings using laboratory and synchrotron X-ray sources			Type	A1 Journal article
	Year	2011	Publication	Journal of analytical atomic spectrometry	Abbreviated Journal
	Volume	26	Issue	5	Pages	1068-1077
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	It is generally known that radiographic inspection of 1517th century paintings can easily be done with a polychromatic X-ray source using a voltage between 20 kV and 40 kV in combination with classic X-ray films. Unfortunately, the spatial structure of numerous 19th and early 20th century paintings cannot be visualized with conventional radiography due to several reasons such as the use of lead white grounds or low absorbing pigments. Radiographic images are blurred or worse, they do not contain the picture of the painting. During the last decades, many technological innovations have been introduced in the field of radiography but their possibilities in cultural heritage have not been explored in full detail. In our investigation we used phosphor imaging plates, energy dispersive detectors and CCD-cameras in combination with synchrotron radiation and conventional X-ray tubes in order to improve the quality of radiographic images. Several promising techniques that could improve the quality of radiographs of paintings were identified.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000289731900023	Publication Date	2011-04-11
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0267-9477	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited		Open Access
	Notes				Approved	no
	Call Number	UA @ admin @ c:irua:89928			Serial	8070
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	Author	Malard, B.; Pilch, J.; Sittner, P.; Delville, R.; Curfs, C.
	Title	In situ investigation of the fast microstructure evolution during electropulse treatment of cold drawn NiTi wires			Type	A1 Journal article
	Year	2011	Publication	Acta materialia	Abbreviated Journal	Acta Mater
	Volume	59	Issue	4	Pages	1542-1556
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Microstructural changes taking place during the heat treatment of cold-worked NiTi alloy are of key interest in shape memory alloy technology, since they are responsible for setting the austenite shape and functional properties of the heat-treated alloy. In this work, microstructural evolution during non-conventional electropulse heat treatment of thin NiTi filaments was investigated in a unique high-speed in situ synchrotron X-ray diffraction experiment with simultaneous evaluation of the tensile force and electrical resistivity of the treated wire. The in situ results provide direct experimental evidence on the evolution of the internal stress and density of defects during fast heating from 20 °C to ∼700 °C. This evidence is used to characterize a sequence of dynamic recovery and recrystallization processes responsible for the microstructure and superelastic functional property changes during the electropulse treatments.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Oxford	Editor
	Language		Wos	000287265100023	Publication Date	2010-12-11
	Series Editor		Series Title		Abbreviated Series Title
	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	48	Open Access
	Notes				Approved	Most recent IF: 5.301; 2011 IF: 3.755
	Call Number	UA @ lucian @ c:irua:98372			Serial	1583
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	Author	de Baere, K.; Verstraelen, H.; Lemmens, L.; Lenaerts, S.; Potters, G.
	Title	In situ study of the parameters quantifying the corrosion in ballast tanks and an evaluation of improving alternative			Type	P3 Proceeding
	Year	2011	Publication		Abbreviated Journal
	Volume		Issue		Pages
	Keywords	P3 Proceeding; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
	Abstract	An in situ study of more than 100 ballast tanks of merchant marine vessels looks to the corrosion process in these tanks from another perspective. The developed corrosion model shows major similarities with earlier studies based on laboratory experiments. The field work exposes the influence of ship construction parameters such as land of construction, coating type and the presence of sacrificial anodes on the corrosion process in the ballast tanks. Possible alternatives for vessels constructed with ordinary grade A steel and coated according to IMO PSPC standards are presented, even though further research is required to come to final conclusions.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos		Publication Date
	Series Editor		Series Title		Abbreviated Series Title
	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 @ admin @ c:irua:88937			Serial	5965
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	Author	Scalise, E.; Houssa, M.; Pourtois, G.; Afanas'ev, V.V.; Stesmans, A.
	Title	Inelastic electron tunneling spectroscopy of HfO₂ gate stacks : a study based on first-principles modeling			Type	A1 Journal article
	Year	2011	Publication	Applied physics letters	Abbreviated Journal	Appl Phys Lett
	Volume	99	Issue	13	Pages	132101,1-132101,3
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	A first-principles modeling approach is used to investigate the vibrational properties of HfO2. The calculated phonon density of states is compared to experimental results obtained from inelastic electron tunneling spectroscopy (IETS) of various metal-oxide-semiconductor devices with HfO2 gate stacks. This comparison provides deep insights into the nature of the signatures of the complicated IETS spectra and provides valuable structural information about the gate stack, such as the possible presence of oxygen vacancies in jet-vapour deposited HfO2. Important structural differences between the interface of atomic-layer or molecular-beam deposited HfO2 and the Si substrate are also revealed.
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000295618000036	Publication Date	2011-09-26
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0003-6951;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.411	Times cited	1	Open Access
	Notes				Approved	Most recent IF: 3.411; 2011 IF: 3.844
	Call Number	UA @ lucian @ c:irua:93611			Serial	1606
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	Author	Nelissen, K.; Partoens, B.; Peeters, F.M.
	Title	Influence of an ellipsoid on the angular order in a two-dimensional cluster			Type	A1 Journal article
	Year	2011	Publication	Physical review : E : statistical physics, plasmas, fluids, and related interdisciplinary topics	Abbreviated Journal	Phys Rev E
	Volume	84	Issue	3	Pages	031405,1-031405,6
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	The influence of an ellipsoid on the angular order of two-dimensional classical clusters is investigated through Brownian dynamics simulations. We found the following: (1) The presence of an ellipsoid does not influence the start of the angular melting, but reduces the rate at which the inner rings can rotate with respect to each other. (2) Even a small eccentricity of the ellipsoid leads to a stabilization of the angular order of the system. (3) Depending on the position of the ellipsoid in the cluster, a reentrant behavior in the angular order is observed before full radial melting of the cluster sets in. (4) The ellipsoid can lead to a two-step angular melting process: First, the rotation of the inner rings with respect to each other is hindered by the ellipsoid, but on further increasing the kinetic energy of the system, the ellipsoid just starts to behave as a spherical particle with different mobility. The effect of an ellipsoid on the molten system does not depend crucially on the interparticle interaction, but a softer parabolic confinement reduces the angular stabilization.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lancaster, Pa	Editor
	Language		Wos	000296495000007	Publication Date	2011-09-20
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1539-3755;1550-2376;	ISBN		Additional Links	UA library record; WoS full record
	Impact Factor	2.366	Times cited		Open Access
	Notes	; This work was supported by the Flemish Science Foundation (FWO-Vl) and CNPq. ;			Approved	Most recent IF: 2.366; 2011 IF: 2.255
	Call Number	UA @ lucian @ c:irua:93612			Serial	1615
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	Author	Nga, T.T.N.; Peeters, F.M.
	Title	Influence of electron-electron interaction on the cyclotron resonance spectrum of magnetic quantum dots containing few electrons			Type	A1 Journal article
	Year	2011	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	83	Issue	7	Pages	075419-075419,6
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	The configuration interaction method is used to obtain the magneto-optical absorption spectrum of a few-electron (Ne=1,2,,5) quantum dot containing a single magnetic ion. We find that the IR spectrum (the position, the number, and the oscillator strength of the cyclotron resonance peaks) depends on the strength of the Coulomb interaction, the number of electrons, and the position of the magnetic ion. We find that the Kohn theorem is no longer valid as a consequence of the electron-spin-magnetic-ion-spin-exchange interaction.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000287584600011	Publication Date	2011-02-23
	Series Editor		Series Title		Abbreviated Series Title
	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	8	Open Access
	Notes	; This work was supported by FWO-Vl (Flemish Science Foundation), the Brazilian science foundation CNPq, and the Belgian Science Policy (IAP). ;			Approved	Most recent IF: 3.836; 2011 IF: 3.691
	Call Number	UA @ lucian @ c:irua:88912			Serial	1620
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	Author	Zha, G.-Q.; Milošević, M.V.; Zhou, S.-P.; Peeters, F.M.
	Title	Influence of impurities and surface defects on the flux-induced current in mesoscopic d-wave superconducting loops			Type	A1 Journal article
	Year	2011	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	84	Issue	13	Pages	132501-132501,4
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We investigated the magnetic flux dependence of the supercurrent in mesoscopic d-wave superconducting loops, containing impurities and surface defects, by numerically solving the Bogoliubovde Gennes equations self-consistently. In the presence of impurities, bound states arise close to the Fermi energy. In the case of a single impurity, the flux-induced current is found to be suppressed. This can be different when more impurities are introduced in the sample due to the quantum interference effect, which depends sensitively on the relative position between the impurities. We further analyze the effect of small surface defects at the inner or outer edge of the loop, and show that indentation and bulge defects have pronounced and different effects on the supercurrent.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000295713600002	Publication Date	2011-10-07
	Series Editor		Series Title		Abbreviated Series Title
	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	13	Open Access
	Notes	; This work was supported by the Flemish Science Foundation (FWO-Vl), by Belgian Science Policy (IAP), by National Science Foundation of China (Grant Nos. 10904089 and 60971053), and by research funds under Grant Nos. 20093108120005, S30105, 09JC1406000, and 10zz63. ;			Approved	Most recent IF: 3.836; 2011 IF: 3.691
	Call Number	UA @ lucian @ c:irua:92811			Serial	1623
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	Author	Khalil-Allafi, J.; Amin-Ahmadi, B.
	Title	Influence of mold preheating and silicon content on microstructure and casting properties of ductile iron in permanent mold			Type	A1 Journal article
	Year	2011	Publication	Journal of iron and steel research international	Abbreviated Journal	J Iron Steel Res Int
	Volume	18	Issue	3	Pages	34-39
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	The effects of the mold preheating and the silicon content of ductile iron on the percentage of carbides, graphite nodule counts and shrinkage volume were investigated. The results showed that the percentage of carbides and the shrinkage volume decreased when the mold preheating increased. The ductile iron with the carbon equivalent of 4.45% and the silicon content of 2.5% without any porosity defects was achieved when the mold preheating was 450 °C. Increasing the silicon content in the range of 2.1%3.3% led to the increase in graphite nodule count and graphite size and the decrease in percentage of carbides. It is due to the increase in induced expansion pressure during the graphite formation with the increasing of silicon content. The suitable condition for casting a sound product of ductile iron without the riser at the mold preheating temperature of 300 °C is the silicon content of 3.3% and carbon equivalent of 4.7%.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos		Publication Date	2011-03-28
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1006-706X;	ISBN		Additional Links	UA library record
	Impact Factor	0.836	Times cited	3	Open Access
	Notes				Approved	Most recent IF: 0.836; 2011 IF: 0.213
	Call Number	UA @ lucian @ c:irua:122043			Serial	1629
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	Author	Pei, Z.-G.; Shan, X.-Q.; Zhang, S.-Z.; Kong, J.-J.; Wen, B.; Zhang, J.; Zheng, L.-R.; Xie, Y.-N.; Janssens, K.
	Title	Insight to ternary complexes of co-adsorption of norfloxacin and Cu(II) onto montmorillonite at different pH using EXAFS			Type	A1 Journal article
	Year	2011	Publication	Journal of hazardous materials	Abbreviated Journal	J Hazard Mater
	Volume	186	Issue	1	Pages	842-848
	Keywords	A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	Co-adsorption of norfloxacin (Nor) and Cu(II) on montmorillonite at pH 4.5, 7.0 and 9.0 was studied by integrated batch adsorption experiments and extended X-ray absorption fine structure (EXAFS) spectroscopy. Under such pH conditions the dominant species of Nor are cation (Nor+), zwitterion (Nor±), and anion (Nor−), respectively. Results indicated that Nor sorption decreased with an increase of solution pH. The presence of Cu(II) slightly suppressed the Nor+ sorption at pH 4.5, while increased Nor± and Nor−sorption on montmorillonite at pH 7.0 and 9.0, respectively. In contrast, Nor increased Cu(II) adsorption at pH 4.5, but had little effect on the adsorption of Cu(II) on montmorillonite at pH 7.0 and 9.0. Spectroscopic results showed that, at pH 4.5, Nor+ was sorbed on montmorillonite by the formation of outer-sphere montmorilloniteNorCu(II) ternary surface complex. At pH 7.0, montmorilloniteNorCu(II) and montmorilloniteCu(II)Nor ternary surface complexes co-exist. At pH 9.0, montmorilloniteCu(II)Nor ternary surface complex was likely formed, which was different to Cu(II)(Nor)2 precipitate of the solution.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000288102400107	Publication Date	2010-11-26
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0304-3894	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	6.065	Times cited	25	Open Access
	Notes	; This work was funded by the National Natural Science Foundation of China (grant numbers: 41071308, 20707037, 20737003 and 20877087) and the Youth Fund of State Key Laboratory of Environmental Chemistry and Ecotoxicology QN2009-07. ;			Approved	Most recent IF: 6.065; 2011 IF: 4.173
	Call Number	UA @ admin @ c:irua:88786			Serial	5664
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	Author	Van Grieken, R.; Darchuk, L.; Kontozova, V.; Potgieter-Vermaak, S.; van Meel, K.; Stefaniak, E.; Worobiec, A.
	Title	Integration of analysis techniques of different scales using X ray induced and electron induced X ray spectrometry for applications in preventive conservation and environmental monitoring			Type	H2 Book chapter
	Year	2011	Publication		Abbreviated Journal
	Volume		Issue		Pages	53-56 T2 - Integration of nuclear spectrometry met
	Keywords	H2 Book chapter; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Laboratory Experimental Medicine and Pediatrics (LEMP)
	Abstract	In the past years, and also within the framework of this CRP, we have used a combination of several nuclear and non-nuclear techniques in fundamental research and especially in various applications. Most work has been done with energy-dispersive X ray fluorescence in combination with electron probe X ray microanalysis, but several other more common analysis techniques have been used as well. The applications have included mostly preventive conservation (e.g. characterisation of damaging atmospheric particles in many museums) and environmental monitoring (e.g. for atmospheric particles in relation to their health effects in outdoor and especially indoor environments). Fundamental aspects have been in the optimising of interfaced electron microprobe and Raman microprobe analysis and the evaluation of the potential of such an instrument for atmospheric aerosols; quite a few unexpected and unpredicted problems have appeared in the latter study.
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	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos		Publication Date
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN		ISBN	978-92-0-121310-5	Additional Links	UA library record
	Impact Factor		Times cited		Open Access
	Notes				Approved	no
	Call Number	UA @ admin @ c:irua:97169			Serial	8110
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