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	Author	Tsirlin, A.A.; Abakumov, A.M.; Ritter, C.; Rosner, H.
	Title	(CuCl)LaTa₂O_\text{7} and quantum phase transition in the (CuX)LaM₂O₇ family (X=Cl, Br; M=Nb, Ta)			Type	A1 Journal article
	Year	2012	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	86	Issue	6	Pages	064440-12
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	We apply neutron diffraction, high-resolution synchrotron x-ray diffraction, magnetization measurements, electronic structure calculations, and quantum Monte-Carlo simulations to unravel the structure and magnetism of (CuCl)LaTa2O7. Despite the pseudo-tetragonal crystallographic unit cell, this compound features an orthorhombic superstructure, similar to the Nb-containing (CuX)LaNb2O7 with X = Cl and Br. The spin lattice entails dimers formed by the antiferromagnetic fourth-neighbor coupling J(4), as well as a large number of nonequivalent interdimer couplings quantified by an effective exchange parameter J(eff). In (CuCl)LaTa2O7, the interdimer couplings are sufficiently strong to induce the long-range magnetic order with the Neel temperature T-N similar or equal to 7 K and the ordered magnetic moment of 0.53 mu(B), as measured with neutron diffraction. This magnetic behavior can be accounted for by J(eff)/J(4) similar or equal to 1.6 and J(4) similar or equal to 16 K. We further propose a general magnetic phase diagram for the (CuCl)LaNb2O7-type compounds, and explain the transition from the gapped spin-singlet (dimer) ground state in (CuCl)LaNb2O7 to the long-range antiferromagnetic order in (CuCl)LaTa2O7 and (CuBr)LaNb2O7 by an increase in the magnitude of the interdimer couplings J(eff)/J(4), with the (CuCl)LaM2O7 (M = Nb, Ta) compounds lying on different sides of the quantum critical point that separates the singlet and long-range-ordered magnetic ground states.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000308127600006	Publication Date	2012-08-29
	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	6	Open Access
	Notes				Approved	Most recent IF: 3.836; 2012 IF: 3.767
	Call Number	UA @ lucian @ c:irua:101886			Serial	3526
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	Author	Michel, K.H.; Verberck, B.
	Title	Theory of rigid-plane phonon modes in layered crystals			Type	A1 Journal article
	Year	2012	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	85	Issue	9	Pages	094303-094303,11
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	The lattice dynamics of low-frequency rigid-plane modes in metallic (graphene multilayers, GML) and in insulating (hexagonal boron-nitride multilayers, BNML) layered crystals is investigated. The frequencies of shearing and compression (stretching) modes depend on the layer number N and are presented in the form of fan diagrams. The results for GML and BNML are very similar. In both cases, only the interactions (van der Waals and Coulomb) between nearest-neighbor planes are effective, while the interactions between more distant planes are screened. A comparison with recent Raman scattering results on low-frequency shear modes in GML [Tan et al., Nat. Mater., in press, doi: 10.1038/nmat3245, (2012)] is made. Relations with the low-lying rigid-plane phonon dispersions in the bulk materials are established. Master curves, which connect the fan diagram frequencies for any given N, are derived. Static and dynamic thermal correlation functions for rigid-layer shear and compression modes are calculated. The results might be of use for the interpretation of friction force experiments on multilayer crystals.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000301646000006	Publication Date	2012-03-19
	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	38	Open Access
	Notes	; The authors are indebted to J. Maultzsch for bringing Ref. 20 to their attention. They thank D. Lamoen, F.M. Peeters, B. Trauzettel, and C. Van Haesendonck for useful discussions. This work has been financially supported by the Research Foundation Flanders (FWO). ;			Approved	Most recent IF: 3.836; 2012 IF: 3.767
	Call Number	UA @ lucian @ c:irua:97787			Serial	3619
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	Author	Costamagna, S.; Neek-Amal, M.; Los, J.H.; Peeters, F.M.
	Title	Thermal rippling behavior of graphane			Type	A1 Journal article
	Year	2012	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	86	Issue	4	Pages	041408-4
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Thermal fluctuations of single layer hydrogenated graphene (graphane) are investigated using large scale atomistic simulations. By analyzing the mean square value of the height fluctuations < h(2)> and the height-height correlation function H(q) for different system sizes and temperatures, we show that hydrogenated graphene is an unrippled system in contrast to graphene. The height fluctuations are bounded, which is confirmed by a H(q) tending to a constant in the long wavelength limit instead of showing the characteristic scaling law q(4-eta)(eta similar or equal to 0.85) predicted by membrane theory. This unexpected behavior persists up to temperatures of at least 900 K and is a consequence of the fact that in graphane the thermal energy can be accommodated by in-plane bending modes, i.e., modes involving C-C-C bond angles in the buckled carbon layer, instead of leading to significant out-of-plane fluctuations that occur in graphene.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lancaster, Pa	Editor
	Language		Wos	000306649200002	Publication Date	2012-07-23
	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	46	Open Access
	Notes	; We thank A. Fasolino, A. Dobry, and K. H. Michel for their useful comments. S.C. is supported by the Belgian Science Foundation (BELSPO). This work is supported by the ESF-EuroGRAPHENE project CONGRAN and the Flemish Science Foundation (FWO-Vl). ;			Approved	Most recent IF: 3.836; 2012 IF: 3.767
	Call Number	UA @ lucian @ c:irua:100840			Serial	3630
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	Author	Muñoz, W.A.; Covaci, L.; Peeters, F.M.
	Title	Tight-binding study of bilayer graphene Josephson junctions			Type	A1 Journal article
	Year	2012	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	86	Issue	18	Pages	184505-184507
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Using highly efficient simulations of the tight-binding Bogoliubov-de-Gennes model, we solved self-consistently for the pair correlation and the Josephson current in a superconducting-bilayer graphene-superconducting Josephson junction. Different doping levels for the non-superconducting link are considered in the short- and long-junction regimes. Self-consistent results for the pair correlation and superconducting current resemble those reported previously for single-layer graphene except at the Dirac point, where remarkable differences in the proximity effect are found, as well as a suppression of the superconducting current in the long-junction regime. Inversion symmetry is broken by considering a potential difference between the layers and we found that the supercurrent can be switched if the junction length is larger than the Fermi length.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000310840400005	Publication Date	2012-11-07
	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-VI). ;			Approved	Most recent IF: 3.836; 2012 IF: 3.767
	Call Number	UA @ lucian @ c:irua:105149			Serial	3661
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	Author	Vagov, A.; Shanenko, A.A.; Milošević, M.V.; Axt, V.M.; Peeters, F.M.
	Title	Two-band superconductors : extended Ginzburg-Landau formalism by a systematic expansion in small deviation from the critical temperature			Type	A1 Journal article
	Year	2012	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	86	Issue	14	Pages	144514
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We derive the extended Ginzburg-Landau (GL) formalism for a clean s-wave two-band superconductor by employing a systematic expansion of the free-energy functional and the corresponding matrix gap equation in powers of the small deviation from the critical temperature tau = 1 – T/T-c. The two lowest orders of this expansion produce the equation for T-c and the standard GL theory. It is shown that in agreement with previous studies, this two-band GL theory maps onto the single-band GL model and thus fails to describe the difference in the spatial profiles of the two-band condensates. We prove that this difference appears already in the leading correction to the standard GL theory, which constitutes the extended GL formalism. We derive linear differential equations that determine the leading corrections to the band order parameters and magnetic field, discuss the validity of these equations, and consider examples of an important interplay between the band condensates. Finally, we present numerical results for the thermodynamic critical magnetic field and temperature-dependent band gaps for recent materials of interest, which are in very good agreement with those obtained from the full BCS approach in a wide temperature range. To this end, we emphasize the advantages of our extended GL theory in comparison with the often used two-component GL-like model based on an unreconstructed two-band generalization of the Gor'kov derivation.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000309776800001	Publication Date	2012-10-12
	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	44	Open Access
	Notes	; This work was supported by the Flemish Science Foundation (FWO-Vl). Authors are indebted to Y. Singh and R. Prozorov for discussions and for providing recent experimental data. A. V. is grateful to W. Pesch for stimulating discussions and critical comments on this work. ;			Approved	Most recent IF: 3.836; 2012 IF: 3.767
	Call Number	UA @ lucian @ c:irua:101798			Serial	3769
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	Author	Mees, M.J.; Pourtois, G.; Neyts, E.C.; Thijsse, B.J.; Stesmans, A.
	Title	Uniform-acceptance force-bias Monte Carlo method with time scale to study solid-state diffusion			Type	A1 Journal article
	Year	2012	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	85	Issue	13	Pages	134301-134301,9
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	Monte Carlo (MC) methods have a long-standing history as partners of molecular dynamics (MD) to simulate the evolution of materials at the atomic scale. Among these techniques, the uniform-acceptance force-bias Monte Carlo (UFMC) method [ G. Dereli Mol. Simul. 8 351 (1992)] has recently attracted attention [ M. Timonova et al. Phys. Rev. B 81 144107 (2010)] thanks to its apparent capacity of being able to simulate physical processes in a reduced number of iterations compared to classical MD methods. The origin of this efficiency remains, however, unclear. In this work we derive a UFMC method starting from basic thermodynamic principles, which leads to an intuitive and unambiguous formalism. The approach includes a statistically relevant time step per Monte Carlo iteration, showing a significant speed-up compared to MD simulations. This time-stamped force-bias Monte Carlo (tfMC) formalism is tested on both simple one-dimensional and three-dimensional systems. Both test-cases give excellent results in agreement with analytical solutions and literature reports. The inclusion of a time scale, the simplicity of the method, and the enhancement of the time step compared to classical MD methods make this method very appealing for studying the dynamics of many-particle systems.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000302290500001	Publication Date	2012-04-03
	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	31	Open Access
	Notes				Approved	Most recent IF: 3.836; 2012 IF: 3.767
	Call Number	UA @ lucian @ c:irua:97160			Serial	3809
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	Author	Latimer, M.L.; Berdiyorov, G.R.; Xiao, Z.L.; Kwok, W.K.; Peeters, F.M.
	Title	Vortex interaction enhanced saturation number and caging effect in a superconducting film with a honeycomb array of nanoscale holes			Type	A1 Journal article
	Year	2012	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	85	Issue	1	Pages	012505-012505,4
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	The electrical transport properties of a MoGe thin film with a honeycomb array of nanoscale holes are investigated. The critical current of the system shows nonmatching anomalies as a function of applied magnetic field, enabling us to distinguish between multiquanta vortices trapped in the holes and interstitial vortices located between the holes. The number of vortices trapped in each hole is found to be larger than the saturation number predicted for an isolated hole and shows a nonlinear field dependence, leading to the caging effect as predicted from the Ginzburg-Landau (GL) theory. Our experimental results are supplemented by numerical simulations based on the GL theory.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000299867200001	Publication Date	2012-01-26
	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	41	Open Access
	Notes	; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Belgian Science Policy (IAP) (theory) and by the US Department of Energy (DOE) Grant No. DE-FG02-06ER46334 (experiment). G. R. B. acknowledges an individual grant from FWO-Vl. W. K. K. acknowledges support from DOE BES under Contract No. DE-AC02-06CH11357, which also funds Argonne's Center for Nanoscale Materials (CNM), where the focused-ion-beam milling was performed. M.L.L was a recipient of the NIU/ANL Distinguished Graduate Fellowship. ;			Approved	Most recent IF: 3.836; 2012 IF: 3.767
	Call Number	UA @ lucian @ c:irua:96224			Serial	3866
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	Author	Pogosov, W.V.; Misko, V.R.
	Title	Vortex quantum tunneling versus thermal activation in ultrathin superconducting nanoislands			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	224508-224508,5
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We consider two possible mechanisms for single-vortex fluctuative entry/exit through the surface barrier in ultrathin superconducting disk-shaped nanoislands made of Pb and consisting of just a few monoatomic layers, which can be fabricated using modern techniques. We estimate tunneling probabilities and establish criteria for the crossover between these two mechanisms depending on magnetic field and system sizes. For the case of vortex entry, quantum tunneling dominates on the major part of the temperature/flux phase diagram. For the case of vortex exit, thermal activation turns out to be more probable. This nontrivial result is due to the subtle balance between the barrier height and width, which determine rates of the thermal activation and quantum tunneling, respectively.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000304856600003	Publication Date	2012-06-07
	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	2	Open Access
	Notes	; This work was supported by the “Odysseus” Program of the Flemish Government and the Flemish Science Foundation (FWO-Vl). W. V. P. acknowledges numerous discussions with A. O. Sboychakov and the support from the Dynasty Foundation, the RFBR (Project No. 12-02-00339), and RFBR-CNRS programme (Project No. 12-02-91055). ;			Approved	Most recent IF: 3.836; 2012 IF: 3.767
	Call Number	UA @ lucian @ c:irua:98908			Serial	3882
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	Author	da Costa, D.R.; Chaves, A.; Farias, G.A.; Covaci, L.; Peeters, F.M.
	Title	Wave-packet scattering on graphene edges in the presence of a pseudomagnetic field			Type	A1 Journal article
	Year	2012	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	86	Issue	11	Pages	115434
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	The scattering of a Gaussian wave packet in armchair and zigzag graphene edges is theoretically investigated by numerically solving the time-dependent Schrodinger equation for the tight-binding model Hamiltonian. Our theory allows us to investigate scattering in reciprocal space, and depending on the type of graphene edge we observe scattering within the same valley, or between different valleys. In the presence of an external magnetic field, the well-known skipping orbits are observed. However, our results demonstrate that in the case of a pseudomagnetic field, induced by nonuniform strain, the scattering by an armchair edge results in a nonpropagating edge state.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000309174100005	Publication Date	2012-09-21
	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	28	Open Access
	Notes	; Discussions with E. B. Barros are gratefully acknowledged. This work was supported by the Brazilian Council for Research (CNPq), the Flemish Science Foundation (FWO-Vl), the ESF-EuroGRAPHENE (project CONGRAN), and the bilateral program between Flanders and Brazil. ;			Approved	Most recent IF: 3.836; 2012 IF: 3.767
	Call Number	UA @ lucian @ c:irua:101833			Serial	3907
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	Author	Ramos, I.R.O.; Ferreira, W.P.; Munarin, F.F.; Farias, G.A.; Peeters, F.M.
	Title	Bilayer crystals of charged magnetic dipoles : structure and phonon spectrum			Type	A1 Journal article
	Year	2012	Publication	Physical review : E : statistical, nonlinear, and soft matter physics	Abbreviated Journal	Phys Rev E
	Volume	85	Issue	5:1	Pages	051404-051404,12
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We study the structure and phonon spectrum of a two-dimensional bilayer system of classical charged dipoles oriented perpendicular to the plane of the layers for equal density in each layer. This system can be tuned through six different crystalline phases by changing the interlayer separation or the charge and/or dipole moment of the particle. The presence of the charge on the dipole particles is responsible for the nucleation of five staggered phases and a disordered phase which are not found in the magnetic dipole bilayer system. These extra phases are a consequence of the competition between the repulsive Coulomb and the attractive dipole interlayer interaction. We present the phase diagram and determine the order of the phase transitions. The phonon spectrum of the system was calculated within the harmonic approximation, and a nonmonotonic behavior of the phonon spectrum is found as a function of the effective strength of the interparticle interaction. The stability of the different phases is determined.
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	Woodbury (NY)	Editor
	Language		Wos	000304403400002	Publication Date	2012-05-30
	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; WoS citing articles
	Impact Factor	2.366	Times cited	8	Open Access
	Notes	; This work was supported by the Brazilian agencies CNPq, CAPES, and FUNCAP (PRONEX grant), the Flemish Science Foundation (FWO-Vl), the bilateral program between Flanders and Brazil, and the CNPq-FWO collaborating project. The authors are grateful to Prof. G. Goldoni for some technical clarifications concerning Ref. [18]. ;			Approved	Most recent IF: 2.366; 2012 IF: 2.313
	Call Number	UA @ lucian @ c:irua:98940			Serial	233
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	Author	Carvalho, J.C.N.; Nelissen, K.; Ferreira, W.P.; Farias, G.A.; Peeters, F.M.
	Title	Diffusion in a quasi-one-dimensional system on a periodic substrate			Type	A1 Journal article
	Year	2012	Publication	Physical review : E : statistical, nonlinear, and soft matter physics	Abbreviated Journal	Phys Rev E
	Volume	85	Issue	2:1	Pages	021136-021136,8
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	The diffusion of charged particles interacting through a repulsive Yukawa potential, exp(-r/lambda)/r, confined by a parabolic potential in the y direction and subjected to a periodic substrate potential in the x direction is investigated. Langevin dynamic simulations are used to investigate the effect of the particle density, the amplitude of the periodic substrate, and the range of the interparticle interaction potential on the diffusive behavior of the particles. We found that in general the diffusion is suppressed with increasing the amplitude of the periodic potential, but for specific values of the strength of the substrate potential a remarkable increase of the diffusion is found with increasing the periodic potential amplitude. In addition, we found a strong dependence of the diffusion on the specific arrangement of the particles, e. g., single-chain versus multichain configuration. For certain particle configurations, a reentrant behavior of the diffusion is found as a function of the substrate strength due to structural transitions in the ordering of the particles.
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	Woodbury (NY)	Editor
	Language		Wos	000300671500007	Publication Date	2012-02-24
	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; WoS citing articles
	Impact Factor	2.366	Times cited	9	Open Access
	Notes	; This work was supported by the Brazilian agencies CNPq and FUNCAP (PRONEX-Grant), the Flemish Science Foundation (FWO-Vl), and the bilateral projects between Flanders and Brazil and the Flemish Science Foundation (FWO-VI) and CNPq. ;			Approved	Most recent IF: 2.366; 2012 IF: 2.313
	Call Number	UA @ lucian @ c:irua:97203			Serial	698
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	Author	Euán-Díaz, E.C.; Misko, V.R.; Peeters, F.M.; Herrera-Velarde, S.; Castaneda-Priego, R.
	Title	Single-file diffusion in periodic energy landscapes : the role of hydrodynamic interactions			Type	A1 Journal article
	Year	2012	Publication	Physical review : E : statistical, nonlinear, and soft matter physics	Abbreviated Journal	Phys Rev E
	Volume	86	Issue	3Part 1	Pages	031123
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We report on the dynamical properties of interacting colloids confined to one dimension and subjected to external periodic energy landscapes. We particularly focus on the influence of hydrodynamic interactions on the mean-square displacement. Using Brownian dynamics simulations, we study colloidal systems with two types of repulsive interparticle interactions, namely, Yukawa and superparamagnetic potentials. We find that in the homogeneous case, hydrodynamic interactions lead to an enhancement of the particle mobility and the mean-square displacement at long times scales as t(alpha), with alpha = 1/2 + epsilon and epsilon being a small correction. This correction, however, becomes much more important in the presence of an external field, which breaks the homogeneity of the particle distribution along the line and, therefore, promotes a richer dynamical scenario due to the hydrodynamical coupling among particles. We provide here the complete dynamical scenario in terms of the external potential parameters: amplitude and commensurability.
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	Woodbury (NY)	Editor
	Language		Wos	000308873500002	Publication Date	2012-09-21
	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; WoS citing articles
	Impact Factor	2.366	Times cited	14	Open Access
	Notes	; This work was partially supported by the “Odysseus” Program of the Flemish Government, the Flemish Science Foundation (FWO-Vl), and PIFI 3.4-PROMEP and CONACyT (Grant Nos. 61418/2007 and 102339/2008, Ph.D. Scholarship No. 230171/ 2010). ;			Approved	Most recent IF: 2.366; 2012 IF: 2.313
	Call Number	UA @ lucian @ c:irua:101840			Serial	3021
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	Author	Lucena, D.; Tkachenko, D.V.; Nelissen, K.; Misko, V.R.; Ferreira, W.P.; Farias, G.A.; Peeters, F.M.
	Title	Transition from single-file to two-dimensional diffusion of interacting particles in a quasi-one-dimensional channel			Type	A1 Journal article
	Year	2012	Publication	Physical review : E : statistical, nonlinear, and soft matter physics	Abbreviated Journal	Phys Rev E
	Volume	85	Issue	3:1	Pages	031147-031147,12
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Diffusive properties of a monodisperse system of interacting particles confined to a quasi-one-dimensional channel are studied using molecular dynamics simulations. We calculate numerically the mean-squared displacement (MSD) and investigate the influence of the width of the channel (or the strength of the confinement potential) on diffusion in finite-size channels of different shapes (i.e., straight and circular). The transition from single-file diffusion to the two-dimensional diffusion regime is investigated. This transition [ regarding the calculation of the scaling exponent (alpha) of the MSD <Delta x(2)(t)> proportional to t(alpha)] as a function of the width of the channel is shown to change depending on the channel's confinement profile. In particular, the transition can be either smooth (i.e., for a parabolic confinement potential) or rather sharp (i.e., for a hard-wall potential), as distinct from infinite channels where this transition is abrupt. This result can be explained by qualitatively different distributions of the particle density for the different confinement potentials.
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	Woodbury (NY)	Editor
	Language		Wos	000302117900003	Publication Date	2012-03-29
	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; WoS citing articles
	Impact Factor	2.366	Times cited	38	Open Access
	Notes	; This work was supported by CNPq, FUNCAP (Pronex grant), the “Odysseus” program of the Flemish Government, the Flemish Science Foundation (FWO-Vl), the bilateral program between Flanders and Brazil, and the collaborative program CNPq-FWO-Vl. ;			Approved	Most recent IF: 2.366; 2012 IF: 2.313
	Call Number	UA @ lucian @ c:irua:97784			Serial	3699
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	Author	Tan, H.; Turner, S.; Yucelen, E.; Verbeeck, J.; Van Tendeloo, G.
	Title	2D atomic mapping of oxidation states in transition metal oxides by scanning transmission electron microscopy and electron energy-loss spectroscopy : reply			Type	Editorial
	Year	2012	Publication	Physical review letters	Abbreviated Journal	Phys Rev Lett
	Volume	108	Issue	25	Pages	259702
	Keywords	Editorial; Electron microscopy for materials research (EMAT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000305568700038	Publication Date	2012-06-19
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0031-9007	ISBN		Additional Links	UA library record; WoS full record
	Impact Factor	8.462	Times cited		Open Access
	Notes				Approved	Most recent IF: 8.462; 2012 IF: 7.943
	Call Number	UA @ admin @ c:irua:100293			Serial	5370
Permanent link to this record



	Author	Zhu, J.; Badalyan, S.M.; Peeters, F.M.
	Title	Electron-phonon bound states in graphene in a perpendicular magnetic field			Type	A1 Journal article
	Year	2012	Publication	Physical review letters	Abbreviated Journal	Phys Rev Lett
	Volume	109	Issue	25	Pages	256602-256605
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	The spectrum of electron-phonon complexes in monolayer graphene is investigated in the presence of a perpendicular quantizing magnetic field. Despite the small electron-phonon coupling, usual perturbation theory is inapplicable for the calculation of the scattering amplitude near the threshold of optical phonon emission. Our findings, beyond perturbation theory, show that the true spectrum near the phonon-emission threshold is completely governed by new branches, corresponding to bound states of an electron and an optical phonon with a binding energy of the order of alpha omega(0), where alpha is the electron-phonon coupling and omega(0) the phonon energy. DOI: 10.1103/PhysRevLett.109.256602
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	New York, N.Y.	Editor
	Language		Wos	000312841700011	Publication Date	2012-12-22
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0031-9007;1079-7114;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	8.462	Times cited	19	Open Access
	Notes	; We acknowledge support from the Belgian Science Policy (BELSPO) and EU, the ESF EuroGRAPHENE project CONGRAN, and the Flemisch Science Foundation (FWO-Vl). ;			Approved	Most recent IF: 8.462; 2012 IF: 7.943
	Call Number	UA @ lucian @ c:irua:105962			Serial	983
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	Author	Berdiyorov, G.R.; Milošević, M.V.; Latimer, M.L.; Xiao, Z.L.; Kwok, W.K.; Peeters, F.M.
	Title	Large magnetoresistance oscillations in mesoscopic superconductors due to current-excited moving vortices			Type	A1 Journal article
	Year	2012	Publication	Physical review letters	Abbreviated Journal	Phys Rev Lett
	Volume	109	Issue	5	Pages	057004
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We show in the case of a superconducting Nb ladder that a mesoscopic superconductor typically exhibits magnetoresistance oscillations whose amplitude and temperature dependence are different from those stemming from the Little-Parks effect. We demonstrate that these large resistance oscillations (as well as the monotonic background on which they are superimposed) are due to current-excited moving vortices, where the applied current in competition with the oscillating Meissner currents imposes or removes the barriers for vortex motion in an increasing magnetic field. Because of the ever present current in transport measurements, this effect should be considered in parallel with the Little-Parks effect in low-critical temperature (T-c) samples, as well as with recently proposed thermal activation of dissipative vortex-antivortex pairs in high-T-c samples.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	New York, N.Y.	Editor
	Language		Wos	000306994900024	Publication Date	2012-07-31
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0031-9007;1079-7114;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	8.462	Times cited	65	Open Access
	Notes	; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Belgian Science Policy (IAP) (theory) and by the U. S. Department of Energy (DOE) Award No. DE-FG02-06ER46334 (experiment). G. R. B. acknowledges individual grant from FWO-Vl. W. K. K. acknowledges support from DOE BES under Contract No. DE-AC02-06CH11357, which also funds Argonne's Center for Nanoscale Materials (CNM) where the focused-ion-beam milling was performed. ;			Approved	Most recent IF: 8.462; 2012 IF: 7.943
	Call Number	UA @ lucian @ c:irua:100832			Serial	1780
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	Author	Müller, A.; Milošević, M.V.; Dale, S.E.C.; Engbarth, M.A.; Bending, S.J.
	Title	Magnetization measurements and Ginzburg-Landau simulations of micron-size \beta-tin samples : evidence for an unusual critical behavior of mesoscopic type-I superconductors			Type	A1 Journal article
	Year	2012	Publication	Physical review letters	Abbreviated Journal	Phys Rev Lett
	Volume	109	Issue	19	Pages	197003
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We describe investigations of the largely unexplored field of mesoscopic type-I superconductors. Micromagnetometry and 3D Ginzburg-Landau simulations of our single crystal β-tin samples in this regime reveal size- and temperature-dependent supercritical fields whose behavior is radically different from the bulk critical field HcB. We find that complete suppression of the intermediate state in medium-size samples can result in a surprising reduction of the critical field significantly below HcB. We also reveal an evolution of the superconducting-to-normal phase transition from the expected irreversible first order at low temperatures through the previously unobserved reversible first-order to a second-order transition close to Tc, where the critical field can be many times larger than HcB. Finally, we have identified striking correlations between the mesoscopic Hc3 for nucleation of surface superconductivity and the thermodynamic Hc near Tc. All these observations are entirely unexpected in the conventional type-I picture.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	New York, N.Y.	Editor
	Language		Wos	000310853100017	Publication Date	2012-11-09
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0031-9007;1079-7114;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	8.462	Times cited	21	Open Access
	Notes	; This work was supported by the EPSRC-UK under Grant No. EP/E039944/1, and the Flemish Science Foundation (FWO). ;			Approved	Most recent IF: 8.462; 2012 IF: 7.943
	Call Number	UA @ lucian @ c:irua:102401			Serial	1893
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	Author	Schattschneider, P.; Stoeger-Pollach, M.; Verbeeck, J.
	Title	Novel vortex generator and mode converter for electron beams			Type	A1 Journal article
	Year	2012	Publication	Physical review letters	Abbreviated Journal	Phys Rev Lett
	Volume	109	Issue	8	Pages	084801-1
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	A mode converter for electron vortex beams is described. Numerical simulations, confirmed by experiment, show that the converter transforms a vortex beam with a topological charge m = +/- 1 into beams closely resembling Hermite-Gaussian HG(10) and HG(01) modes. The converter can be used as a mode discriminator or filter for electron vortex beams. Combining the converter with a phase plate turns a plane wave into modes with topological charge m = +/- 1. This combination serves as a generator of electron vortex beams of high brilliance.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	New York, N.Y.	Editor
	Language		Wos	000307790900004	Publication Date	2012-08-22
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0031-9007;1079-7114;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	8.462	Times cited	74	Open Access
	Notes	Countatoms; Vortex ECASJO_;			Approved	Most recent IF: 8.462; 2012 IF: 7.943
	Call Number	UA @ lucian @ c:irua:101103UA @ admin @ c:irua:101103			Serial	2384
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	Author	Gotter, R.; Fratesi, G.; Bartynski, R.A.; da Pieve, F.; Offi, F.; Ruocco, A.; Ugenti, S.; Trioni, M.I.; Brivio, G.P.; Stefani, G.
	Title	Spin-dependent on-site electron correlations and localization in itinerant f erromagnets			Type	A1 Journal article
	Year	2012	Publication	Physical review letters	Abbreviated Journal	Phys Rev Lett
	Volume	109	Issue	12	Pages	126401
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Spin selectivity in angle-resolved Auger photoelectron coincidence spectroscopy (AR-APECS) is used to probe electron correlation in ferromagnetic thin films. In particular, exploiting the AR-APECS capability to discriminate Auger electron emission events characterized by valence hole pairs created either in the high or in the low total spin state, a strong correlation effect in the Fe M2,3VV Auger line shape (measured in coincidence with the Fe 3p photoelectrons) of Fe/Cu(001) thin films is detected and ascribed to interactions within the majority spin subband. Such an assignment follows from a close comparison of the experimental AR-APECS line shapes with the predictions of a model based on spin polarized density functional theory and the Cini-Sawatzky approach.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	New York, N.Y.	Editor
	Language		Wos	000308877000002	Publication Date	2012-09-21
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0031-9007;1079-7114;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	8.462	Times cited	9	Open Access
	Notes				Approved	Most recent IF: 8.462; 2012 IF: 7.943
	Call Number	UA @ lucian @ c:irua:101841			Serial	3084
Permanent link to this record



	Author	Szumniak, P.; Bednarek, S.; Partoens, B.; Peeters, F.M.
	Title	Spin-orbit-mediated manipulation of heavy-hole spin qubits in gated semiconductor nanodevices			Type	A1 Journal article
	Year	2012	Publication	Physical review letters	Abbreviated Journal	Phys Rev Lett
	Volume	109	Issue	10	Pages	107201
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	A novel spintronic nanodevice is proposed that is able to manipulate the single heavy-hole spin state in a coherent manner. It can act as a single quantum logic gate. The heavy-hole spin transformations are realized by transporting the hole around closed loops defined by metal gates deposited on top of the nanodevice. The device exploits Dresselhaus spin-orbit interaction, which translates the spatial motion of the hole into a rotation of the spin. The proposed quantum gate operates on subnanosecond time scales and requires only the application of a weak static voltage which allows for addressing heavy-hole spin qubits individually. Our results are supported by quantum mechanical time-dependent calculations within the four-band Luttinger-Kohn model.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	New York, N.Y.	Editor
	Language		Wos	000308295700015	Publication Date	2012-09-05
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0031-9007;1079-7114;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	8.462	Times cited	41	Open Access
	Notes	; This work was supported by the Grant No. NN202 128337 from the Ministry of Science and Higher Education, as well as by the “Krakow Interdisciplinary PhD-Project in Nanoscience and Advances Nanostructures” operated within the Foundation for Polish Science MPD Programme and cofinanced by European Regional Development Fund, the Belgian Science Policy (IAP), and the Flemish Science Foundation (FWO-V1). ;			Approved	Most recent IF: 8.462; 2012 IF: 7.943
	Call Number	UA @ lucian @ c:irua:101849			Serial	3094
Permanent link to this record



	Author	Komendová, L.; Chen, Y.; Shanenko, A.A.; Milošević, M.V.; Peeters, F.M.
	Title	Two-band superconductors : hidden criticality deep in the superconducting state			Type	A1 Journal article
	Year	2012	Publication	Physical review letters	Abbreviated Journal	Phys Rev Lett
	Volume	108	Issue	20	Pages	207002-207002,5
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We show that two-band superconductors harbor hidden criticality deep in the superconducting state, stemming from the critical temperature of the weaker band taken as an independent system. For sufficiently small interband coupling gamma the coherence length of the weaker band exhibits a remarkable deviation from the conventional monotonic increase with temperature, namely, a pronounced peak close to the hidden critical point. The magnitude of the peak scales as proportional to gamma(-mu), with the Landau critical exponent mu = 1/3, the same as found for the mean-field critical behavior with respect to the source field in ferromagnets and ferroelectrics. Here reported hidden criticality of multiband superconductors can be experimentally observed by, e.g., imaging of the variations of the vortex core in a broader temperature range. Similar effects are expected for the superconducting multilayers.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	New York, N.Y.	Editor
	Language		Wos	000304064000017	Publication Date	2012-05-15
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0031-9007;1079-7114;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	8.462	Times cited	75	Open Access
	Notes	; This work was supported by the Flemish Science Foundation (FWO-Vl). Useful discussions with A. V. Vagov are acknowledged. ;			Approved	Most recent IF: 8.462; 2012 IF: 7.943
	Call Number	UA @ lucian @ c:irua:98945			Serial	3770
Permanent link to this record



	Author	Zhang, L.-F.; Covaci, L.; Milošević, M.V.; Berdiyorov, G.R.; Peeters, F.M.
	Title	Unconventional vortex states in nanoscale superconductors due to shape-induced resonances in the inhomogeneous Cooper-pair condensate			Type	A1 Journal article
	Year	2012	Publication	Physical review letters	Abbreviated Journal	Phys Rev Lett
	Volume	109	Issue	10	Pages	107001
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Vortex matter in mesoscopic superconductors is known to be strongly affected by the geometry of the sample. Here we show that in nanoscale superconductors with coherence length comparable to the Fermi wavelength the shape resonances of the order parameter results in an additional contribution to the quantum topological confinement-leading to unconventional vortex configurations. Our Bogoliubov-de Gennes calculations in a square geometry reveal a plethora of asymmetric, giant multivortex, and vortex-antivortex structures, stable over a wide range of parameters and which are very different from those predicted by the Ginzburg-Landau theory. These unconventional states are relevant for high-T-c nanograins, confined Bose-Einstein condensates, and graphene flakes with proximity-induced superconductivity.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	New York, N.Y.	Editor
	Language		Wos	000308295700014	Publication Date	2012-09-05
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0031-9007;1079-7114;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	8.462	Times cited	31	Open Access
	Notes	; This work was supported by the Flemish Science Foundation (FWO-Vlaanderen). ;			Approved	Most recent IF: 8.462; 2012 IF: 7.943
	Call Number	UA @ lucian @ c:irua:101850			Serial	3801
Permanent link to this record



	Author	Bliokh, K.Y.; Schattschneider, P.; Verbeeck, J.; Nori, F.
	Title	Electron vortex beams in a magnetic field : a new twist on Landau levels and Aharonov-Bohm states			Type	A1 Journal article
	Year	2012	Publication	Physical review X	Abbreviated Journal	Phys Rev X
	Volume	2	Issue	4	Pages	041011-41015
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	We examine the propagation of the recently discovered electron vortex beams in a longitudinal magnetic field. We consider both the Aharonov-Bohm configuration with a single flux line and the Landau case of a uniform magnetic field. While stationary Aharonov-Bohm modes represent Bessel beams with flux- and vortex-dependent probability distributions, stationary Landau states manifest themselves as nondiffracting Laguerre-Gaussian beams. Furthermore, the Landau-state beams possess field- and vortex-dependent phases: (i) the Zeeman phase from coupling the quantized angular momentum to the magnetic field and (ii) the Gouy phase, known from optical Laguerre-Gaussian beams. Remarkably, together these phases determine the structure of Landau energy levels. This unified Zeeman-Landau-Gouy phase manifests itself in a nontrivial evolution of images formed by various superpositions of modes. We demonstrate that, depending on the chosen superposition, the image can rotate in a magnetic field with either (i) Larmor, (ii) cyclotron (double-Larmor), or (iii) zero frequency. At the same time, its centroid always follows the classical cyclotron trajectory, in agreement with the Ehrenfest theorem. Interestingly, the nonrotating superpositions reproduce stable multivortex configurations that appear in rotating superfluids. Our results open an avenue for the direct electron-microscopy observation of fundamental properties of free quantum-electron states in magnetic fields.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	College Park, Md	Editor
	Language		Wos	000311551100001	Publication Date	2012-11-26
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2160-3308;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	12.789	Times cited	130	Open Access
	Notes	Vortex ECASJO_;			Approved	Most recent IF: 12.789; 2012 IF: 6.711
	Call Number	UA @ lucian @ c:irua:105139UA @ admin @ c:irua:105139			Serial	991
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	Author	Varykhalov, A.; Marchenko, D.; Sanchez-Barriga, J.; Scholz, M.R.; Verberck, B.; Trauzettel, B.; Wehling, T.O.; Carbone, C.; Rader, O.
	Title	Intact dirac cones at broken sublattice symmetry : photoemission study of graphene on Ni and Co			Type	A1 Journal article
	Year	2012	Publication	Physical review X	Abbreviated Journal	Phys Rev X
	Volume	2	Issue	4	Pages	041017-10
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	The appearance of massless Dirac fermions in graphene requires two equivalent carbon sublattices of trigonal shape. While the generation of an effective mass and a band gap at the Dirac point remains an unresolved problem for freestanding extended graphene, it is well established by breaking translational symmetry by confinement and by breaking sublattice symmetry by interaction with a substrate. One of the strongest sublattice-symmetry-breaking interactions with predicted and measured band gaps ranging from 400 meV to more than 3 eV has been attributed to the interfaces of graphene with Ni and Co, which are also promising spin-filter interfaces. Here, we apply angle-resolved photoemission to epitaxial graphene on Ni (111) and Co(0001) to show the presence of intact Dirac cones 2.8 eV below the Fermi level. Our results challenge the common belief that the breaking of sublattice symmetry by a substrate and the opening of the band gap at the Dirac energy are in a straightforward relation. A simple effective model of a biased bilayer structure composed of graphene and a sublattice-symmetry-broken layer, corroborated by density-functional-theory calculations, demonstrates the general validity of our conclusions.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	College Park, Md	Editor
	Language		Wos	000312703200001	Publication Date	2012-12-22
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2160-3308;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	12.789	Times cited	86	Open Access
	Notes	; A. V. acknowledges helpful discussions with N. Sandler. This work was supported by SPP 1459 of the Deutsche Forschungsgemeinschaft. B. V. acknowledges support from the Research Foundation Flanders (FWO-Vlaanderen). B. T. and T. O. W. would like to thank the KITP at Santa Barbara for hospitality during the completion of this work. ;			Approved	Most recent IF: 12.789; 2012 IF: 6.711
	Call Number	UA @ lucian @ c:irua:105964			Serial	1677
Permanent link to this record



	Author	Sels, D.; Brosens, F.; Magnus, W.
	Title	On the path integral representation of the Wigner function and the BarkerMurray ansatz			Type	A1 Journal article
	Year	2012	Publication	Physics letters : A	Abbreviated Journal	Phys Lett A
	Volume	376	Issue	6/7	Pages	809-812
	Keywords	A1 Journal article; Theory of quantum systems and complex systems; Condensed Matter Theory (CMT)
	Abstract	The propagator of the Wigner function is constructed from the WignerLiouville equation as a phase space path integral over a new effective Lagrangian. In contrast to a paper by Barker and Murray (1983) [1], we show that the path integral can in general not be written as a linear superposition of classical phase space trajectories over a family of non-local forces. Instead, we adopt a saddle point expansion to show that the semiclassical Wigner function is a linear superposition of classical solutions for a different set of non-local time dependent forces. As shown by a simple example the specific form of the path integral makes the formulation ideal for Monte Carlo simulation.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000301167300005	Publication Date	2012-01-17
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0375-9601;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.772	Times cited	7	Open Access
	Notes	; ;			Approved	Most recent IF: 1.772; 2012 IF: 1.766
	Call Number	UA @ lucian @ c:irua:94006			Serial	2445
Permanent link to this record



	Author	Teodoru, S.; Kusano, Y.; Bogaerts, A.
	Title	The effect of O₂ in a humid O₂/N₂/NO_x gas mixture on NO_x and N₂O remediation by an atmospheric pressure dielectric barrier discharge			Type	A1 Journal article
	Year	2012	Publication	Plasma processes and polymers	Abbreviated Journal	Plasma Process Polym
	Volume	9	Issue	7	Pages	652-689
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	A numerical model for NxOy remediation in humid air plasma produced with a dielectric barrier discharge at atmospheric pressure is presented. Special emphasis is given to NO2 and N2O reduction with the decrease of O2 content in the feedstock gas. A detailed reaction mechanism including electronic and ionic processes, as well as the contribution of radicals and excited atomic/molecular species is proposed. The temporal evolution of the densities of NO, NO2 and N2O species, and some other by-products, is analyzed, and the major pathways for the NxOy remediation are discussed for one pulse. Subsequently, simulations are presented for a multi-pulses case, where three O2 contents are tested for optimization of the remediation process. It is found that when the gas mixture O2/N2/H2O/NOx has no initial O2 content, the best NOx and N2O remediation is achieved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Weinheim	Editor
	Language		Wos	000306279500005	Publication Date	2012-03-14
	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	24	Open Access
	Notes				Approved	Most recent IF: 2.846; 2012 IF: 3.730
	Call Number	UA @ lucian @ c:irua:100920			Serial	842
Permanent link to this record



	Author	Aerts, R.; Tu, X.; De Bie, C.; Whitehead, J.C.; Bogaerts, A.
	Title	An investigation into the dominant reactions for ethylene destruction in non-thermal atmospheric plasmas			Type	A1 Journal article
	Year	2012	Publication	Plasma processes and polymers	Abbreviated Journal	Plasma Process Polym
	Volume	9	Issue	10	Pages	994-1000
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	A crucial step, which is still not well understood in the destruction of volatile organic compounds (VOCs) with low temperature plasmas, is the initiation of the process. Here, we present a kinetic model for the destruction of ethylene in low temperature plasmas that allows us to calculate the relative importance of all plasma species and their related reactions. Modifying the ethylene concentration and/or the SED had a major impact on the relative importance of the radicals (i.e., mainly atomic oxygen) and the metastable nitrogen (i.e., more specifically N2(equation image)) in the destruction process. Our results show that the direct destruction by electron impact reactions for ethylene can be neglected; however, we can certainly not neglect the influence of N2(equation image)).
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Weinheim	Editor
	Language		Wos	000309750300008	Publication Date	2012-07-30
	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	46	Open Access
	Notes				Approved	Most recent IF: 2.846; 2012 IF: 3.730
	Call Number	UA @ lucian @ c:irua:101765			Serial	1727
Permanent link to this record



	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
Permanent link to this record



	Author	Zhao, S.-X.; Gao, F.; Wang, Y.-N.; Bogaerts, A.
	Title	The effect of F₂ attachment by low-energy electrons on the electron behaviour in an Ar/CF₄ inductively coupled plasma			Type	A1 Journal article
	Year	2012	Publication	Plasma sources science and technology	Abbreviated Journal	Plasma Sources Sci T
	Volume	21	Issue	2	Pages	025008-025008,13
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	The electron behaviour in an Ar/CF4 inductively coupled plasma is investigated by a Langmuir probe and a hybrid model. The simulated and measured results include electron density, temperature and electron energy distribution function for different values of Ar/CF4 ratio, coil power and gas pressure. The hybrid plasma equipment model simulations show qualitative agreement with experiment. The effect of F2 electron attachment on the electron behaviour is explored by comparing two sets of data based on different F atom boundary conditions. It is demonstrated that electron attachment at F2 molecules is responsible for the depletion of low-energy electrons, causing a density decrease as well as a temperature increase when CF4 is added to an Ar plasma.
	Address
	Corporate Author				Thesis
	Publisher	Institute of Physics	Place of Publication	Bristol	Editor
	Language		Wos	000302779400022	Publication Date	2012-03-12
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0963-0252;1361-6595;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.302	Times cited	23	Open Access
	Notes				Approved	Most recent IF: 3.302; 2012 IF: 2.515
	Call Number	UA @ lucian @ c:irua:96549			Serial	841
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	Author	Smits, M.; Vanpachtenbeke, F.; Horemans, B.; De Wael, K.; Hauchecorne, B.; Van Langenhove, H.; Demeestere, K.; Lenaerts, S.
	Title	Effect of operating and sampling conditions on the exhaust gas composition of small-scale power generators			Type	A1 Journal article
	Year	2012	Publication	PLoS ONE	Abbreviated Journal	Plos One
	Volume	7	Issue	3	Pages	e32825-e32825,10
	Keywords	A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Sustainable Energy, Air and Water Technology (DuEL)
	Abstract	Small stationary diesel engines, like in generator sets, have limited emission control measures and are therefore responsible for 44% of the particulate matter (PM) emissions in the United States. The diesel exhaust composition depends on operating conditions of the combustion engine. Furthermore, the measurements are influenced by the used sampling method. This study examines the effect of engine loading and exhaust gas dilution on the composition of small-scale power generators. These generators are used in different operating conditions than road-transport vehicles, resulting in different emission characteristics. Experimental data were obtained for gaseous volatile organic compounds (VOC) and PM mass concentration, elemental composition and nitrate content. The exhaust composition depends on load condition because of its effect on fuel consumption, engine wear and combustion temperature. Higher load conditions result in lower PM concentration and sharper edged particles with larger aerodynamic diameters. A positive correlation with load condition was found for K, Ca, Sr, Mn, Cu, Zn and Pb adsorbed on PM, elements that originate from lubricating oil or engine corrosion. The nitrate concentration decreases at higher load conditions, due to enhanced nitrate dissociation to gaseous NO at higher engine temperatures. Dilution on the other hand decreases PM and nitrate concentration and increases gaseous VOC and adsorbed metal content. In conclusion, these data show that operating and sampling conditions have a major effect on the exhaust gas composition of small-scale diesel generators. Therefore, care must be taken when designing new experiments or comparing literature results.
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	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000303836500012	Publication Date	2012-03-19
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1932-6203	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.806	Times cited	5	Open Access
	Notes	; ;			Approved	Most recent IF: 2.806; 2012 IF: 3.730
	Call Number	UA @ admin @ c:irua:96545			Serial	5581
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