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	Author	Palgrave, R.G.; Borisov, P.; Dyer, M.S.; McMitchell, S.R.C.; Darling, G.R.; Claridge, J.B.; Batuk, M.; Tan, H.; Tian, H.; Verbeeck, J.; Hadermann, J.; Rosseinsky, M.J.;
	Title	Artificial construction of the layered Ruddlesden-Popper manganite La₂Sr₂Mn₃O₁₀ by reflection high energy electron diffraction monitored pulsed laser deposition			Type	A1 Journal article
	Year	2012	Publication	Journal of the American Chemical Society	Abbreviated Journal	J Am Chem Soc
	Volume	134	Issue	18	Pages	7700-7714
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Pulsed laser deposition has been used to artificially construct the n = 3 Ruddlesden Popper structure La2Sr2Mn3O10 in epitaxial thin film form by sequentially layering La1-xSrxMnO3 and SrO unit cells aided by in situ reflection high energy electron diffraction monitoring. The interval deposition technique was used to promote two-dimensional SrO growth. X-ray diffraction and cross-sectional transmission electron microscopy indicated that the trilayer structure had been formed. A site ordering was found to differ from that expected thermodynamically, with the smaller Sr2+ predominantly on the R site due to kinetic trapping of the deposited cation sequence. A dependence of the out-of-plane lattice parameter on growth pressure was interpreted as changing the oxygen content of the films. Magnetic and transport measurements on fully oxygenated films indicated a frustrated magnetic ground state characterized as a spin glass-like magnetic phase with the glass temperature T-g approximate to 34 K. The magnetic frustration has a clear in-plane (ab) magnetic anisotropy, which is maintained up to temperatures of 150 K. Density functional theory calculations suggest competing antiferromagnetic and ferromagnetic long-range orders, which are proposed as the origin of the low-temperature glassy state.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Washington, D.C.	Editor
	Language		Wos	000303696200029	Publication Date	2012-03-30
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0002-7863;1520-5126;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	13.858	Times cited	27	Open Access
	Notes	Fwo; Esteem 026019			Approved	Most recent IF: 13.858; 2012 IF: 10.677
	Call Number	UA @ lucian @ c:irua:98947UA @ admin @ c:irua:98947			Serial	153
Permanent link to this record



	Author	Vandenberghe, W.G.; Verhulst, A.S.; Kao, K.-H.; De Meyer, K.; Sorée, B.; Magnus, W.; Groeseneken, G.
	Title	A model determining optimal doping concentration and material's band gap of tunnel field-effect transistors			Type	A1 Journal article
	Year	2012	Publication	Applied physics letters	Abbreviated Journal	Appl Phys Lett
	Volume	100	Issue	19	Pages	193509-193509,4
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We develop a model for the tunnel field-effect transistor (TFET) based on the Wentzel-Kramer-Brillouin approximation which improves over existing semi-classical models employing generation rates. We hereby introduce the concept of a characteristic tunneling length in direct semiconductors. Based on the model, we show that a limited density of states results in an optimal doping concentration as well as an optimal material's band gap to obtain the highest TFET on-current at a given supply voltage. The observed optimal-doping trend is confirmed by 2-dimensional quantum-mechanical simulations for silicon and germanium. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4714544]
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000304108000098	Publication Date	2012-05-12
	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	25	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). This work was supported by IMEC's Industrial Affiliation Program. ;			Approved	Most recent IF: 3.411; 2012 IF: 3.794
	Call Number	UA @ lucian @ c:irua:98948			Serial	2105
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	Author	Silhanek, A.V.; Leo, A.; Grimaldi, G.; Berdiyorov, G.R.; Milošević, M.V.; Nigro, A.; Pace, S.; Verellen, N.; Gillijns, W.; Metlushko, V.; Ilić, B.; Zhu, X.; Moshchalkov, V.V.;
	Title	Influence of artificial pinning on vortex lattice instability in superconducting films			Type	A1 Journal article
	Year	2012	Publication	New journal of physics	Abbreviated Journal	New J Phys
	Volume	14	Issue		Pages	053006-053006,11
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	In superconducting films under an applied dc current, we analyze experimentally and theoretically the influence of engineered pinning on the vortex velocity at which the flux-flow dissipation undergoes an abrupt transition from low to high resistance. We argue, based on a nonuniform distribution of vortex velocity in the sample, that in strongly disordered systems the mean critical vortex velocity for flux-flow instability (i) has a nonmonotonic dependence on magnetic field and (ii) decreases as the pinning strength is increased. These findings challenge the generally accepted microscopic model of Larkin and Ovchinnikov (1979 J. Low. Temp. Phys. 34 409) and all subsequent refinements of this model which ignore the presence of pinning centers.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Bristol	Editor
	Language		Wos	000304871700003	Publication Date	2012-05-04
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1367-2630;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.786	Times cited	40	Open Access
	Notes	; This work was supported by the Methusalem Funding of the Flemish Government, the ESF-NES program, the Belgian Science Policy (IAP) and the Fund for Scientific Research-Flanders (FWO-Vlaanderen). AVS, GRB and WG received individual support from FWO-Vlaanderen. GG acknowledges support from the research project L.R. N5 of Regione Campania. VM acknowledges financial support from the US NSF, grant no. ECCS-0823813. We acknowledge J Van de Vondel for a critical reading of the manuscript. ;			Approved	Most recent IF: 3.786; 2012 IF: 4.063
	Call Number	UA @ lucian @ c:irua:98949			Serial	1616
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	Author	Verberck, B.; Cambedouzou, J.; Vliegenthart, G.A.; Gompper, G.; Launois, P.
	Title	Monte Carlo studies of C₆₀- and C₇₀-peapods			Type	A1 Journal article
	Year	2012	Publication	Fullerenes, nanotubes, and carbon nanostructures	Abbreviated Journal	Fuller Nanotub Car N
	Volume	20	Issue	4/7	Pages	371-377
	Keywords	A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
	Abstract	We present results of Monte Carlo simulations of chains of C-60 and chains of C-70 molecules encapsulated in a single-walled carbon nanotube (SWCNT). We observe the changes in the configuration of the fullerene molecules when varying tube radius and temperature. In particular, the evolution of the pair correlation functions reveal a transition from linear harmonic chain behavior to a hard-sphere liquid upon heating, demonstrating the possibility of tuning properties of C-60- and C-70@SWCNT peapods with radius and temperature.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000304297500015	Publication Date	2012-05-14
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1536-383X;1536-4046;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.35	Times cited	1	Open Access
	Notes	; Helpful discussions with K. H. Michel, P.-A. Albouy and C. Bousige are gratefully acknowledged. This work was financially supported by the Research Foundation-Flanders (FWO-Vl). ;			Approved	Most recent IF: 1.35; 2012 IF: 0.764
	Call Number	UA @ lucian @ c:irua:99003			Serial	2200
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	Author	Tarakina, N.V.; Verberck, B.
	Title	Tubular fullerenes in carbon nanotubes			Type	A1 Journal article
	Year	2012	Publication	Fullerenes, nanotubes, and carbon nanostructures	Abbreviated Journal	Fuller Nanotub Car N
	Volume	20	Issue	4-7	Pages	538-542
	Keywords	A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
	Abstract	We investigate the optimal orientations and positions of tubular fullerene molecules C-70, C-80 and C-90 encapsulated in single-walled carbon nanotubes (SWCNTs). We find that increasing the tube radius leads to the following succession of energetically stable regimes: 1) lying molecules positioned on the tube's long axis, 2) tilted molecules on the tube's long axis and 3) lying molecules shifted away from the tube's long axis. In the case of C-70 and C-80 molecules, standing on-axis configurations also occur. Our findings are relevant for the possible application of molecular-orientation-dependent electronic properties of fullerene nanopeapods.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000304297500045	Publication Date	2012-05-14
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1536-383X;1536-4046;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.35	Times cited		Open Access
	Notes	; This work was financially supported by the Research Foundation – Flanders (FWO-Vl). B. V. is a Postdoctoral Fellow of the Research Foundation-Flanders (FWO-Vl). ;			Approved	Most recent IF: 1.35; 2012 IF: 0.764
	Call Number	UA @ lucian @ c:irua:99004			Serial	3737
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	Author	Tytgat, T.; Lenaerts, S.
	Title	Immobilisation of TiO₂ into self-supporting photocatalytic foam : influence of acidity on porosity and light penetration			Type	P3 Proceeding
	Year	2012	Publication		Abbreviated Journal
	Volume		Issue		Pages
	Keywords	P3 Proceeding; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
	Abstract
	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	978-989-97667-4-7	Additional Links	UA library record
	Impact Factor		Times cited		Open Access
	Notes				Approved	Most recent IF: NA
	Call Number	UA @ admin @ c:irua:99066			Serial	5959
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	Author	Chen, Y.; Shanenko, A.A.; Peeters, F.M.
	Title	Superconducting transition temperature of Pb nanofilms : impact of thickness-dependent oscillations of the phonon-mediated electron-electron coupling			Type	A1 Journal article
	Year	2012	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	85	Issue	22	Pages	224517-224517,6
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	To date, several experimental groups reported measurements of the thickness dependence of T-c of atomically uniform single-crystalline Pb nanofilms. The reported amplitude of the T-c oscillations varies significantly from one experiment to another. Here we propose that the reason for this unresolved issue is an interplay of the quantum-size variations in the single-electron density of states with thickness-dependent oscillations in the phonon-mediated electron-electron coupling. Such oscillations in the coupling depend on the substrate material, the quality of the interface, the protection cover, and other details of the fabrication process, changing from one experiment to another. This explains why the available data do not exhibit one-voice consistency about the amplitude of the T-c oscillations. Our analyses are based on a numerical solution of the Bogoliubov-de Gennes equations for a superconducting slab.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000305251300006	Publication Date	2012-06-14
	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	24	Open Access
	Notes	; This work was supported by the Flemish Science Foundation (FWO-Vl). ;			Approved	Most recent IF: 3.836; 2012 IF: 3.767
	Call Number	UA @ lucian @ c:irua:99076			Serial	3368
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	Author	Zarenia, M.; Vasilopoulos, P.; Peeters, F.M.
	Title	Magnetotransport in periodically modulated bilayer graphene			Type	A1 Journal article
	Year	2012	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	85	Issue	24	Pages	245426-245426,10
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Magnetotransport in bilayer graphene in the presence of a weak and periodic potential is investigated in the presence of a perpendicular magnetic field B. The modulation broadens the Landau levels into bands and for weak magnetic fields leads to the well-known Weiss oscillations in their bandwidth and their transport coefficients at very low B and to the Shubnikov-de Haas oscillations at larger B. The amplitude of the Weiss oscillations is severely reduced if the periodic potentials applied to the two layers oscillate out of phase. We also contrast some results with those corresponding to single-layer graphene. Relative to them the flat-band condition and the oscillation amplitude differ substantially, due to the interlayer coupling, and agree only when this coupling is extremely weak. We further show that the Hall conductivity exhibits the well-known steps at half-integer and integer multiples of 4e(2)/h in single-layer and bilayer graphene, respectively, even for very weak magnetic fields. The results are pertinent to weak and periodic corrugations when the potential modulation dominates the strain-induced magnetic modulation.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000305253600012	Publication Date	2012-06-14
	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	21	Open Access
	Notes	; This work was supported by the Flemish Science Foundation (FWO-Vl), the European Science Foundation (ESF) under the EUROCORES program EuroGRAPHENE (project CON-GRAN), and the Canadian NSERC Grant No. OGP0121756. ;			Approved	Most recent IF: 3.836; 2012 IF: 3.767
	Call Number	UA @ lucian @ c:irua:99077			Serial	1934
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	Author	Dendooven, J.; Goris, B.; Devloo-Casier, K.; Levrau, E.; Biermans, E.; Baklanov, M.R.; Ludwig, K.F.; van der Voort, P.; Bals, S.; Detavernier, C.
	Title	Tuning the pore size of ink-bottle mesopores by atomic layer deposition			Type	A1 Journal article
	Year	2012	Publication	Chemistry of materials	Abbreviated Journal	Chem Mater
	Volume	24	Issue	11	Pages	1992-1994
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Washington, D.C.	Editor
	Language		Wos	000305092600002	Publication Date	2012-05-03
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0897-4756;1520-5002;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	9.466	Times cited	52	Open Access
	Notes	Fwo			Approved	Most recent IF: 9.466; 2012 IF: 8.238
	Call Number	UA @ lucian @ c:irua:99078			Serial	3760
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	Author	Khalilov, U.; Pourtois, G.; van Duin, A.C.T.; Neyts, E.C.
	Title	Self-limiting oxidation in small-diameter Si nanowires			Type	A1 Journal article
	Year	2012	Publication	Chemistry of materials	Abbreviated Journal	Chem Mater
	Volume	24	Issue	11	Pages	2141-2147
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	Recently, core shell silicon nanowires (Si-NWs) have been envisaged to be used for field-effect transistors and photovoltaic applications. In spite of the constant downsizing of such devices, the formation of ultrasmall diameter core shell Si-NWs currently remains entirely unexplored. We report here on the modeling of the formation of such core shell Si-NWs using a dry thermal oxidation of 2 nm diameter (100) Si nanowires at 300 and 1273 K, by means of reactive molecular dynamics simulations using the ReaxFF potential. Two different oxidation mechanisms are discussed, namely a self-limiting process that occurs at low temperature (300 K), resulting in a Si core I ultrathin SiO2 silica shell nanowire, and a complete oxidation process that takes place at a higher temperature (1273 K), resulting in the formation of an ultrathin SiO2 silica nanowire. The oxidation kinetics of both cases and the resulting structures are analyzed in detail. Our results demonstrate that precise control over the Si-core radius of such NWs and the SiOx (x <= 2.0) oxide shell is possible by controlling the growth temperature used during the oxidation process.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Washington, D.C.	Editor
	Language		Wos	000305092600021	Publication Date	2012-05-18
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0897-4756;1520-5002;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	9.466	Times cited	45	Open Access
	Notes				Approved	Most recent IF: 9.466; 2012 IF: 8.238
	Call Number	UA @ lucian @ c:irua:99079			Serial	2976
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	Author	Costamagna, S.; Schulz, A.; Covaci, L.; Peeters, F.
	Title	Partially unzipped carbon nanotubes as magnetic field sensors			Type	A1 Journal article
	Year	2012	Publication	Applied physics letters	Abbreviated Journal	Appl Phys Lett
	Volume	100	Issue	23	Pages	232104-232104,3
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	The conductance through graphene nanoribbons (GNR) connected to a partially unzipped carbon nanotube (CNT) is studied in the presence of an external magnetic field applied parallel to the long axis of the tube by means of non-equilibrium Green's function technique. We consider CNTs that are partially unzipped to form armchair-GNR/zigzag-CNT/armchair-GNR or zigzag-GNR/armchair-CNT/zigzag-GNR junctions. We find that the inclusion of a longitudinal magnetic field affects the electronic states only in the CNT region, leading to the suppression of the conductance at low energies. We demonstrate that both types of junctions can be used as magnetic field sensors. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4726039]
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000305089900038	Publication Date	2012-06-07
	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	10	Open Access
	Notes	; L.C. acknowledges support from the Flemish Science Foundation (FWO-Vl) and S.C. from the Belgian Science Foundation (BELSPO). This work is supported by the ESF-EuroGRAPHENE Project CONGRAN. ;			Approved	Most recent IF: 3.411; 2012 IF: 3.794
	Call Number	UA @ lucian @ c:irua:99083			Serial	2556
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	Author	Neyts, E.C.; Thijsse, B.J.; Mees, M.J.; Bal, K.M.; Pourtois, G.
	Title	Establishing uniform acceptance in force biased Monte Carlo simulations			Type	A1 Journal article
	Year	2012	Publication	Journal of chemical theory and computation	Abbreviated Journal	J Chem Theory Comput
	Volume	8	Issue	6	Pages	1865-1869
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	Uniform acceptance force biased Monte Carlo (UFMC) simulations have previously been shown to be a powerful tool to simulate atomic scale processes, enabling one to follow the dynamical path during the simulation. In this contribution, we present a simple proof to demonstrate that this uniform acceptance still complies with the condition of detailed balance, on the condition that the characteristic parameter lambda = 1/2 and that the maximum allowed step size is chosen to be sufficiently small. Furthermore, the relation to Metropolis Monte Carlo (MMC) is also established, and it is shown that UFMC reduces to MMC by choosing the characteristic parameter lambda = 0 [Rao, M. et al. Mol. Phys. 1979, 37, 1773]. Finally, a simple example compares the UFMC and MMC methods.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000305092400002	Publication Date	2012-05-16
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1549-9618;1549-9626;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	5.245	Times cited	20	Open Access
	Notes				Approved	Most recent IF: 5.245; 2012 IF: 5.389
	Call Number	UA @ lucian @ c:irua:99090			Serial	1082
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	Author	Li, Z.; Covaci, L.; Marsiglio, F.
	Title	Impact of Dresselhaus versus Rashba spin-orbit coupling on the Holstein polaron			Type	A1 Journal article
	Year	2012	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	85	Issue	20	Pages	205112-205112,5
	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 Rashba and linear Dresselhaus spin-orbit coupling. We find that when the linear Dresselhaus spin-orbit coupling approaches the Rashba spin-orbit coupling, the Van Hove singularity in the density of states will be shifted away from the bottom of the band and finally disappear when the two spin-orbit couplings are tuned to be equal. The effective mass will be suppressed; the trend will become more significant for low phonon frequency. The presence of two dominant spin-orbit couplings will make it possible to tune the effective mass with more varied observables.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000303794900003	Publication Date	2012-05-09
	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	18	Open Access
	Notes	; This work was supported in part by the Natural Sciences and Engineering Research Council of Canada (NSERC), by ICORE (Alberta), by the Flemish Science Foundation (FWO-Vl), and by the Canadian Institute for Advanced Research (CIfAR). ;			Approved	Most recent IF: 3.836; 2012 IF: 3.767
	Call Number	UA @ lucian @ c:irua:99121			Serial	1558
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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
	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	Lajevardipour, A.; Neek-Amal, M.; Peeters, F.M.
	Title	Thermomechanical properties of graphene : valence force field model approach			Type	A1 Journal article
	Year	2012	Publication	Journal of physics : condensed matter	Abbreviated Journal	J Phys-Condens Mat
	Volume	24	Issue	17	Pages	175303-175303,8
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Using the valence force field model of Perebeinos and Tersoff (2009 Phys. Rev. B 79 241409(R)), different energy modes of suspended graphene subjected to tensile or compressive strain are studied. By carrying out Monte Carlo simulations it is found that: (i) only for small strains (vertical bar epsilon vertical bar (sic) 0.02) is the total energy symmetrical in the strain, while it behaves completely differently beyond this threshold; (ii) the important energy contributions in stretching experiments are stretching, angle bending, an out-of-plane term, and a term that provides repulsion against pi-pi misalignment; (iii) in compressing experiments the two latter terms increase rapidly, and beyond the buckling transition stretching and bending energies are found to be constant; (iv) from stretching-compressing simulations we calculated the Young's modulus at room temperature 350 +/- 3.15 N m(-1), which is in good agreement with experimental results (340 +/- 50 N m(-1)) and with ab initio results (322-353) N m(-1); (v) molar heat capacity is estimated to be 24.64 J mol(-1) K-1 which is comparable with the Dulong-Petit value, i. e. 24.94 J mol(-1) K-1, and is almost independent of the strain; (vi) nonlinear scaling properties are obtained from height-height correlations at finite temperature; (vii) the used valence force field model results in a temperature independent bending modulus for graphene, and (viii) the Gruneisen parameter is estimated to be 0.64.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000303499700012	Publication Date	2012-04-05
	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	29	Open Access
	Notes	; We acknowledge helpful comments by V Perebeinos, S Costamagna, A Fasolino and J H Los. This work was supported by the Flemish science foundation (FWO-Vl) and the Belgium Science Policy (IAP). ;			Approved	Most recent IF: 2.649; 2012 IF: 2.355
	Call Number	UA @ lucian @ c:irua:99123			Serial	3639
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	Author	Tinck, S.; Bogaerts, A.
	Title	Modeling SiH₄/O₂/Ar inductively coupled plasmas used for filling of microtrenches in shallow trench isolation (STI)			Type	A1 Journal article
	Year	2012	Publication	Plasma processes and polymers	Abbreviated Journal	Plasma Process Polym
	Volume	9	Issue	5	Pages	522-539
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	Modeling results are presented to gain a better insight in the properties of a SiH4/O2/Ar inductively coupled plasma (ICP) and how it interacts with a silicon substrate (wafer), as applied in the microelectronics industry for the fabrication of electronic devices. The SiH4/O2/Ar ICP is used for the filling of microtrenches with isolating material (SiO2), as applied in shallow trench isolation (STI). In this article, a detailed reaction set that describes the plasma chemistry of SiH4/O2/Ar discharges as well as surface processes, such as sputtering, oxidation, and deposition, is presented. Results are presented on the plasma properties during the plasma enhanced chemical vapor deposition process (PECVD) for different gas ratios, as well as on the shape of the filled trenches and the surface compositions of the deposited layers. For the operating conditions under study it is found that the most important species accounting for deposition are SiH2, SiH3O, SiH3 and SiH2O, while SiH+2, SiH+3, O+2 and Ar+ are the dominant species for sputtering of the surface. By diluting the precursor gas (SiH4) in the mixture, the deposition rate versus sputtering rate can be controlled for a desired trench filling process. From the calculation results it is clear that a high deposition rate will result in undesired void formation during the trench filling, while a small deposition rate will result in undesired trench bottom and mask damage by sputtering. By varying the SiH4/O2 ratio, the chemical composition of the deposited layer will be influenced. However, even at the highest SiH4/O2 ratio investigated (i.e., 3.2:1; low oxygen content), the bulk deposited layer consists mainly of SiO2, suggesting that low-volatile silane species deposit first and subsequently become oxidized instead of being oxidized first in the plasma before deposition. Finally, it was found that the top surface of the deposited layer contained less oxygen due to preferential sputtering of O atoms, making the top layer more Si-rich. However, this effect is negligible at a SiH4/O2 ratio of 2:1 or lower.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Weinheim	Editor
	Language		Wos	000303858100010	Publication Date	2012-03-06
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1612-8850;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.846	Times cited	5	Open Access
	Notes				Approved	Most recent IF: 2.846; 2012 IF: 3.730
	Call Number	UA @ lucian @ c:irua:99127			Serial	2142
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	Author	Barbier, M.; Papp, G.; Peeters, F.M.
	Title	Snake states and Klein tunneling in a graphene Hall bar with a pn-junction			Type	A1 Journal article
	Year	2012	Publication	Applied physics letters	Abbreviated Journal	Appl Phys Lett
	Volume	100	Issue	16	Pages	163121-163121,3
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	The Hall (R-H) and bend (R-B) resistances of a graphene Hall bar structure containing a pn-junction are calculated when in the ballistic regime. The simulations are done using the billiard model. Introducing a pn-junction-dividing the Hall bar geometry in two regions-leads to two distinct regimes exhibiting very different physics: (1) both regions are of n-type and (2) one region is n-type and the other p-type. In regime (1), a “Hall plateau”-an enhancement of the resistance-appears for R-H. On the other hand, in regime (2), we found a negative R-H, which approaches zero for large B. The bend resistance is highly asymmetric in regime (2) and the resistance increases with increasing magnetic field B in one direction while it reduces to zero in the other direction. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4704667]
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000303128500064	Publication Date	2012-04-20
	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	20	Open Access
	Notes	; This work was supported by IMEC, the Flemish Science Foundation (FWO-Vl), the Belgian Science Policy (IAP), and the ESF-EuroGRAPHENE project CONGRAN. ;			Approved	Most recent IF: 3.411; 2012 IF: 3.794
	Call Number	UA @ lucian @ c:irua:99129			Serial	3047
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	Author	Arsoski, V.; Čukarić, N.; Tadić, M.; Peeters, F.M.
	Title	Exciton states in a nanocup in the presence of a perpendicular magnetic field			Type	A1 Journal article
	Year	2012	Publication	Physica scripta	Abbreviated Journal	Phys Scripta
	Volume	T149	Issue		Pages	014054-014054,5
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	The exciton states in a strained (In,Ga)As/GaAs nanocup are theoretically determined. We explore how the nanocup bottom thickness (t) affects the magnetic field dependence of the exciton energy. Strain distribution is computed by the continuum mechanical model under the approximation of isotropic elasticity. The exciton wave functions are expanded into products of the electron and hole envelope functions. For small t, the exciton ground state has zero orbital momentum and exhibits small oscillations of the second derivative when the magnetic field increases. When t approaches the value of the cup height, however, the exciton levels exhibit angular momentum transitions, whose behavior is similar to that for type-II quantum dots. Small oscillations of the oscillator strength for exciton recombination are found when the magnetic field increases. An increase in thickness of the nanocup bottom has only a small effect on those oscillations for the optically active exciton states, but the exciton ground state becomes dark when the magnetic field increases. Hence, the results of our calculations show that an increase in thickness of the nanocup bottom transforms the exciton ground energy level dependence on magnetic field from the one characteristic of type-I rings to the one characteristic of type-II dots.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Stockholm	Editor
	Language		Wos	000303523500055	Publication Date	2012-04-27
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0031-8949;1402-4896;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.28	Times cited	2	Open Access
	Notes	; This work was supported by the EU Network of Excellence SANDiE, the Ministry of Education and Science of Serbia, the Flemish Science Foundation (FWO-Vl) and the Belgian Science Policy (IAP). ;			Approved	Most recent IF: 1.28; 2012 IF: 1.032
	Call Number	UA @ lucian @ c:irua:99135			Serial	1117
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	Author	Grujić, M.; Zarenia, M.; Tadić, M.; Peeters, F.M.
	Title	Interband optical absorption in a circular graphene quantum dot			Type	A1 Journal article
	Year	2012	Publication	Physica scripta	Abbreviated Journal	Phys Scripta
	Volume	T149	Issue		Pages	014056-014056,4
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We investigate the energy levels and optical properties of a circular graphene quantum dot in the presence of an external magnetic field perpendicular to the dot. Based on the Dirac-Weyl equation and assuming zero outward current at the edge of the dot we present the results for two different types of boundary conditions, i.e. infinite-mass (IMBC) and zigzag boundary conditions. We found that the dot with zigzag edges displays a zero-energy state in the energy spectra while this is not the case for the IMBCs. For both boundary conditions, the confinement becomes dominated by the magnetic field, where the energy levels converge to the Landau levels as the magnetic field increases. The effect of boundary conditions on the electron-and hole-energy states is found to affect the interband absorption spectra, where we found larger absorption in the case of IMBCs. The selection rules for interband optical transitions are determined and discussed for both boundary conditions.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Stockholm	Editor
	Language		Wos	000303523500057	Publication Date	2012-04-27
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0031-8949;1402-4896;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.28	Times cited	5	Open Access
	Notes	; This work was supported by the EuroGraphene program of the ESF (project CONGRAN), the Ministry of Education and Science of Serbia, the Belgian Science Policy (IAP) and the Flemish Science Foundation (FWO-Vl). ;			Approved	Most recent IF: 1.28; 2012 IF: 1.032
	Call Number	UA @ lucian @ c:irua:99136			Serial	1688
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	Author	Bertrand, L.; Robinet, L.; Thoury, M.; Janssens, K.; Cohen, S.X.; Schöder, S.
	Title	Cultural heritage and archaeology materials studied by synchrotron spectroscopy and imaging			Type	A1 Journal article
	Year	2012	Publication	Applied physics A : materials science & processing	Abbreviated Journal	Appl Phys A-Mater
	Volume	106	Issue	2	Pages	377-396
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	The use of synchrotron radiation techniques to study cultural heritage and archaeological materials has undergone a steep increase over the past 10-15 years. The range of materials studied is very broad and encompasses painting materials, stone, glass, ceramics, metals, cellulosic and wooden materials, and a cluster of organic-based materials, in phase with the diversity observed at archaeological sites, museums, historical buildings, etc. Main areas of investigation are: (1) the study of the alteration and corrosion processes, for which the unique non-destructive speciation capabilities of X-ray absorption have proved very beneficial, (2) the understanding of the technologies and identification of the raw materials used to produce archaeological artefacts and art objects and, to a lesser extent, (3) the investigation of current or novel stabilisation, conservation and restoration practices. In terms of the synchrotron methods used, the main focus so far has been on X-ray techniques, primarily X-ray fluorescence, absorption and diffraction, and Fourier-transform infrared spectroscopy. We review here the use of these techniques from recent works published in the field demonstrating the breadth of applications and future potential offered by third generation synchrotron techniques. New developments in imaging and advanced spectroscopy, included in the UV/visible and IR ranges, could even broaden the variety of materials studied, in particular by fostering more studies on organic and complex organic-inorganic mixtures, while new support activities at synchrotron facilities might facilitate transfer of knowledge between synchrotron specialists and users from archaeology and cultural heritage sciences.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000299749000009	Publication Date	2011-11-25
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0947-8396	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.455	Times cited	55	Open Access
	Notes	; The authors acknowledge the critical reading by B. Berrie (National Gallery of Art, Washington DC, USA). We thank J. Mass (Conservation Department, Winterthur Museum and Country Estate, Winterthur, DE, USA), H. Roemich (Institute of Fine Arts, New York University, USA), J. Hiller (Non-Crystalline Diffraction Beamline, Diamond Light Source, Didcot, UK) and J.-P. Echard (Laboratoire de recherche et de restauration, Musee de la musique, Paris, France) for their comments on the presentation of their work in the manuscript. The IPANEMA platform is jointly developed by CNRS, MNHN, the French Ministry of Culture and Communication and SOLEIL, and benefits from a CPER grant (MESR, Region Ile-de-France). Support by the Access to Research Infrastructures activity in the 7th Framework Programme of the EU (CHARISMA Grant Agreement n. 228330) and the NWO Science4Arts programme are acknowledged. ;			Approved	Most recent IF: 1.455; 2012 IF: 1.545
	Call Number	UA @ admin @ c:irua:99166			Serial	5561
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	Author	De Trizio, L.; Figuerola, A.; Manna, L.; Genovese, A.; George, C.; Brescia, R.; Saghi, Z.; Simonutti, R.; van Huis, M.; Falqui, A.
	Title	Size-tunable, hexagonal plate-like Cu₃P and Janus-like Cu-Cu₃P nanocrystals			Type	A1 Journal article
	Year	2012	Publication	ACS nano	Abbreviated Journal	Acs Nano
	Volume	6	Issue	1	Pages	32-41
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	We describe two synthesis approaches to colloidal Cu3P nanocrystals using trioctylphosphine (TOP) as phosphorus precursor. One approach is based on the homogeneous nucleation of small Cu3P nanocrystals with hexagonal plate-like morphology and with sizes that can be tuned from 5 to 50 nm depending on the reaction time. In the other approach, metallic Cu nanocrystals are nucleated first and then they are progressively phosphorized to Cu3P. In this case, intermediate Janus-like dimeric nanoparticles can be isolated, which are made of two domains of different materials, Cu and Cu3P, sharing a flat epitaxial interface. The Janus-like nanoparticles can be transformed back to single-crystalline copper particles if they are annealed at high temperature under high vacuum conditions, which makes them an interesting source of phosphorus. The features of the Cu Cu3P Janus-like nanoparticles are compared with those of the Wiped microstructure discovered more than two decades ago in the rapidly quenched Cu Cu3P eutectic of the Cu P alloy, suggesting that other alloy/eutectic systems that display similar behavior might give origin to nanostructures with flat, epitaxial Interface between domains of two diverse materials. Finally, the electrochemical properties of the copper phosphide plates are studied, and they are found to be capable of undergoing lithiation/delithiation through a displacement reaction, while the Janus-like Cu Cu3P particles do not display an electrochemical behavior that would make them suitable for applications in batteries.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000299368300006	Publication Date	2011-12-03
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1936-0851;1936-086X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	13.942	Times cited	60	Open Access
	Notes				Approved	Most recent IF: 13.942; 2012 IF: 12.062
	Call Number	UA @ lucian @ c:irua:99172			Serial	3039
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	Author	Gardner, G.P.; Go, Y.B.; Robinson, D.M.; Smith, P.F.; Hadermann, J.; Abakumov, A.; Greenblatt, M.; Dismukes, G.C.
	Title	Structural requirements in lithium cobalt oxides for the catalytic oxidation of water			Type	A1 Journal article
	Year	2012	Publication	Angewandte Chemie: international edition in English	Abbreviated Journal	Angew Chem Int Edit
	Volume	51	Issue	7	Pages	1616-1619
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Weinheim	Editor
	Language		Wos	000299946400020	Publication Date	2012-01-11
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1433-7851;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	11.994	Times cited	119	Open Access
	Notes				Approved	Most recent IF: 11.994; 2012 IF: 13.734
	Call Number	UA @ lucian @ c:irua:99173			Serial	3258
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	Author	Huyskens, C.
	Title	Fouling in submerged membrane bioreactors			Type	Doctoral thesis
	Year	2012	Publication		Abbreviated Journal
	Volume		Issue		Pages	198 p.
	Keywords	Doctoral thesis; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
	Abstract
	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	978-90-5728-374-1	Additional Links	UA library record
	Impact Factor		Times cited		Open Access
	Notes				Approved	no
	Call Number	UA @ admin @ c:irua:99492			Serial	7980
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