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	Author	Becker, T.; Nelissen, K.; Cleuren, B.
	Title	Current fluctuations in boundary driven diffusive systems in different dimensions : a numerical study			Type	A1 Journal article
	Year	2015	Publication	New journal of physics	Abbreviated Journal	New J Phys
	Volume	17	Issue	17	Pages	055023
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We use kinetic Monte Carlo simulations to investigate current fluctuations in boundary driven generalized exclusion processes, in different dimensions. Simulation results are in full agreement with predictions based on the additivity principle and the macroscopic fluctuation theory. The current statistics are independent of the shape of the contacts with the reservoirs, provided they are macroscopic in size. In general, the current distribution depends on the spatial dimension. For the special cases of the symmetric simple exclusion process and the zero-range process, the current statistics are the same for all spatial dimensions.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Bristol	Editor
	Language		Wos	000355282700001	Publication Date	2015-05-27
	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	5	Open Access
	Notes	; We thank Christian Van den Broeck for bringing this problem to our attention. We are grateful to Bart Partoens and Carlo Vanderzande for a careful reading of the manuscript. This work was supported by the Flemish Science Foundation (Fonds Wetenschappelijk Onderzoek), Project No. G038811N. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Hercules Foundation and the Flemish Government-department EWI. ;			Approved	Most recent IF: 3.786; 2015 IF: 3.558
	Call Number	c:irua:126405			Serial	592
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	Author	Van Gaens, W.; Iseni, S.; Schmidt-Bleker, A.; Weltmann, K.-D.; Reuter, S.; Bogaerts, A.
	Title	Numerical analysis of the effect of nitrogen and oxygen admixtures on the chemistry of an argon plasma jet operating at atmospheric pressure			Type	A1 Journal article
	Year	2015	Publication	New journal of physics	Abbreviated Journal	New J Phys
	Volume	17	Issue	17	Pages	033003
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	In this paper we study the cold atmospheric pressure plasma jet, called kinpen, operating in Ar with different admixture fractions up to 1% pure , and + . Moreover, the device is operating with a gas curtain of dry air. The absolute net production rates of the biologically active ozone () and nitrogen dioxide () species are measured in the far effluent by quantum cascade laser absorption spectroscopy in the mid-infrared. Additionally, a zero-dimensional semi-empirical reaction kinetics model is used to calculate the net production rates of these reactive molecules, which are compared to the experimental data. The latter model is applied throughout the entire plasma jet, starting already within the device itself. Very good qualitative and even quantitative agreement between the calculated and measured data is demonstrated. The numerical model thus yields very useful information about the chemical pathways of both the and the generation. It is shown that the production of these species can be manipulated by up to one order of magnitude by varying the amount of admixture or the admixture type, since this affects the electron kinetics significantly at these low concentration levels.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Bristol	Editor
	Language		Wos	000352898500003	Publication Date	2015-03-03
	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	29	Open Access
	Notes				Approved	Most recent IF: 3.786; 2015 IF: 3.558
	Call Number	c:irua:124228			Serial	2391
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	Author	Verlackt, C.C.W.; Neyts, E.C.; Jacob, T.; Fantauzzi, D.; Golkaram, M.; Shin, Y.-K.; van Duin, A.C.T.; Bogaerts, A.
	Title	Atomic-scale insight into the interactions between hydroxyl radicals and DNA in solution using the ReaxFF reactive force field			Type	A1 Journal article
	Year	2015	Publication	New journal of physics	Abbreviated Journal	New J Phys
	Volume	17	Issue	17	Pages	103005
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	Cold atmospheric pressure plasmas have proven to provide an alternative treatment of cancer by targeting tumorous cells while leaving their healthy counterparts unharmed. However, the underlying mechanisms of the plasma–cell interactions are not yet fully understood. Reactive oxygen species, and in particular hydroxyl radicals (OH), are known to play a crucial role in plasma driven apoptosis of malignant cells. In this paper we investigate the interaction of OH radicals, as well as H2O2 molecules and HO2 radicals, with DNA by means of reactive molecular dynamics simulations using the ReaxFF force field. Our results provide atomic-scale insight into the dynamics of oxidative stress on DNA caused by the OH radicals, while H2O2 molecules appear not reactive within the considered timescale. Among the observed processes are the formation of 8-OH-adduct radicals, forming the first stages towards the formation of 8-oxoGua and 8-oxoAde, H-abstraction reactions of the amines, and the partial opening of loose DNA ends in aqueous solution.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000367328100001	Publication Date	2015-10-02
	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	18	Open Access
	Notes	CCWV,ECN and AB acknowledge the contribution of J Van Beeck who is investigating the interaction between H2O2 andDNAusingrMDsimulations. Furthermore, they acknowledge financial support from the Fund for Scientific Research—Flanders (project number G012413N). The calculations were performed using the Turing HPCinfrastructure at the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the Universiteit Antwerpen. TJ and DF gratefully acknowledge support from the European Research Council through the ERC-Starting GrantTHEOFUN(Grant Agreement No. 259608).			Approved	Most recent IF: 3.786; 2015 IF: 3.558
	Call Number	c:irua:129178			Serial	3955
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	Author	Zhang, Y.; Wang, H.-yu; Jiang, W.; Bogaerts, A.
	Title	Two-dimensional particle-in cell/Monte Carlo simulations of a packed-bed dielectric barrier discharge in air at atmospheric pressure			Type	A1 Journal article
	Year	2015	Publication	New journal of physics	Abbreviated Journal	New J Phys
	Volume	17	Issue	17	Pages	083056
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	The plasma behavior in a parallel-plate dielectric barrier discharge (DBD) is simulated by a two-dimensional particle-in-cell/Monte Carlo collision model, comparing for the first time an unpacked (empty) DBD with a packed bed DBD, i.e., a DBD filled with dielectric spheres in the gas gap. The calculations are performed in air, at atmospheric pressure. The discharge is powered by a pulse with a voltage amplitude of −20 kV. When comparing the packed and unpacked DBD reactors with the same dielectric barriers, it is clear that the presence of the dielectric packing leads to a transition in discharge behavior from a combination of negative streamers and unlimited surface streamers on the bottom dielectric surface to a combination of predominant positive streamers and limited surface discharges on the dielectric surfaces of the beads and plates. Furthermore, in the packed bed DBD, the electric field is locally enhanced inside the dielectric material, near the contact points between the beads and the plates, and therefore also in the plasma between the packing beads and between a bead and the dielectric wall, leading to values of $4\times {10}
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Bristol	Editor
	Language		Wos	000360957800003	Publication Date	2015-08-28
	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	22	Open Access
	Notes				Approved	Most recent IF: 3.786; 2015 IF: 3.558
	Call Number	c:irua:127650			Serial	3777
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	Author	Moors, K.; Soree, B.; Tokei, Z.; Magnus, W.
	Title	Electron relaxation times and resistivity in metallic nanowires due to tilted grain boundary planes			Type	P1 Proceeding
	Year	2015	Publication	On Ultimate Integration On Silicon (eurosoi-ulis)	Abbreviated Journal
	Volume		Issue		Pages	201-204
	Keywords	P1 Proceeding; Condensed Matter Theory (CMT)
	Abstract	We calculate the resistivity contribution of tilted grain boundaries with varying parameters in sub-10nm diameter metallic nanowires. The results have been obtained with the Boltzmann transport equation and Fermi's golden rule, retrieving correct state-dependent relaxation times. The standard approximation schemes for the relaxation times are shown to fail when grain boundary tilt is considered. Grain boundaries tilted under the same angle or randomly tilted induce a resistivity decrease.
	Address
	Corporate Author				Thesis
	Publisher	Ieee	Place of Publication	New york	Editor
	Language		Wos		Publication Date
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	978-1-4799-6911-1	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited		Open Access
	Notes				Approved	Most recent IF: NA
	Call Number	UA @ lucian @ c:irua:144776			Serial	4651
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	Author	Guerrero, A.; Pfannmöller, M.; Kovalenko, A.; Ripolles, T.S.; Heidari, H.; Bals, S.; Kaufmann, L.-D.; Bisquert, J.; Garcia-Belmonte, G.
	Title	Nanoscale mapping by electron energy-loss spectroscopy reveals evolution of organic solar cell contact selectivity			Type	A1 Journal article
	Year	2015	Publication	Organic electronics: physics, materials, applications	Abbreviated Journal	Org Electron
	Volume	16	Issue	16	Pages	227-233
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Organic photovoltaic (OPV) devices are on the verge of commercialization being long-term stability a key challenge. Morphology evolution during lifetime has been suggested to be one of the main pathways accounting for performance degradation. There is however a lack of certainty on how specifically the morphology evolution relates to individual electrical parameters on operating devices. In this work a case study is created based on a thermodynamically unstable organic active layer which is monitored over a period of one year under non-accelerated degradation conditions. The morphology evolution is revealed by compositional analysis of ultrathin cross-sections using nanoscale imaging in scanning transmission electron microscopy (STEM) coupled with electron energy-loss spectroscopy (EELS). Additionally, devices are electrically monitored in real-time using the non-destructive electrical techniques capacitance-voltage (C-V) and Impedance Spectroscopy (IS). By comparison of imaging and electrical techniques the relationship between nanoscale morphology and individual electrical parameters of device operation can be conclusively discerned. It is ultimately observed how the change in the cathode contact properties occurring after the migration of fullerene molecules explains the improvement in the overall device performance. (C) 2014 Elsevier B.V. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000345649500029	Publication Date	2014-11-17
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1566-1199;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.399	Times cited	24	Open Access	OpenAccess
	Notes	287594 Sunflower; 335078 Colouratom; ECAS_Sara; (ROMEO:green; preprint:; postprint:can ; pdfversion:cannot);			Approved	Most recent IF: 3.399; 2015 IF: 3.827
	Call Number	c:irua:122169			Serial	2267
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	Author	Sentosun, K.; Sanz Ortiz, M.N.; Batenburg, K.J.; Liz-Marzán, L.M.; Bals, S.
	Title	Combination of HAADF-STEM and ADF-STEM Tomography for Core-Shell Hybrid Materials			Type	A1 Journal article
	Year	2015	Publication	Particle and particle systems characterization	Abbreviated Journal	Part Part Syst Char
	Volume	32	Issue	32	Pages	1063-1067
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Vision lab
	Abstract	Characterization of core-shell type nanoparticles in 3D by transmission electron microscopy (TEM) can be very challenging. Especially when both heavy and light elements co-exist within the same nanostructure, artefacts in the 3D reconstruction are often present. A representative example would be a particle comprising an anisotropic metallic (Au) nanoparticle coated with a (mesoporous) silica shell. To obtain a reliable 3D characterization of such an object, we propose a dose-efficient strategy to simultaneously acquire high angle annular dark field scanning TEM and annular dark field tilt series for tomography. The 3D reconstruction is further improved by applying an advanced masking and interpolation approach to the acquired data. This new methodology enables us to obtain high quality reconstructions from which also quantitative information can be extracted. This approach is broadly applicable to investigate hybrid core-shell materials.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000368446800003	Publication Date	2015-10-13
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0934-0866;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.474	Times cited	13	Open Access	OpenAccess
	Notes	S.B. acknowledges financial support from European Research Council (ERC) (ERC Starting Grant #335078-COLOURATOM). L.M. acknowledges funding from the EU, Grant# 310651-2 Self-Assembly in Confined Space (SACS). K.J.B acknowledges financial support from the Netherlands Organisation for Scientific Research (NWO), project number 639.072.005 and NWO CW 700.57.026. Networking support was provided by COST Action MP1207. The authors acknowledge the European Union under the Seventh Framework Program under a contract for an Integrated Infrastructure Initiative, Reference No. 312483-ESTEEM2 for financial support.; esteem2jra4; ECASSara; (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot);			Approved	Most recent IF: 4.474; 2015 IF: 3.081
	Call Number	c:irua:129590 c:irua:129590			Serial	3967
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	Author	Cagno, S.; Cosyns, P.; Ceglia, A.; Nys, K.; Janssens, K.
	Title	The use of vitrum obsianum in the Roman Empire: some new insights and future prospects			Type	A1 Journal article
	Year	2015	Publication	Periodico di mineralogia	Abbreviated Journal	Period Mineral
	Volume	84	Issue	3a	Pages	465-482
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	The research on the use of obsidian in the Mediterranean is extensive but concerns almost exclusively volcanic glass from prehistoric and Bronze Age contexts. The consumption of obsidian during the Roman imperial period, however, has only occasionally received attention. Never a comprehensive account on what the Romans made in vitrum obsianum has been set up, nor have the sources exploited by them been examined. This paper provides a concise overview of the current knowledge on obsidian during the Roman imperial period and offers an introductory outline on potential research. The ancient writers inform us about the use of volcanic glass to create exclusive vessels, gemstones, mirrors and sculpture, but also about the creation of black appearing man-made glass initiated as a cheap and easier workable substitute of obsidian. The archaeological data on the other hand propose a more complex story with the occurrence of obsidian chunks in early Roman secondary glass workshops, and the bulky use of obsidian in late Antiquity to produce tesserae for the creation of wall and vault mosaics. Because it is extremely difficult to visually distinguish natural obsidian from man-made glass imitations we present in this paper data collected by means of non-destructive chemico-physical analyses SEM-EDX, portable X-ray fluorescence (p-XRF) and Raman spectroscopy to easily distinguish man-made glass from natural obsidian. In particular the use of portable instruments makes possible in situ analysis of objects in archaeological depots or museum collections to help defining distribution networks to better understand the shifting consumption patterns in Antiquity.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000365632500007	Publication Date
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0369-8963	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	0.883	Times cited	2	Open Access
	Notes	; Our sincere gratitude goes to Cecile Evers and Natacha Masar to have granted permission for studying and analysing various obsidian artefacts within the collections of the Royal Museums of Art and History, Brussels (Belgium). We are also very grateful to Roald Doctor, Daniele Foy and Laudine Robin, respectively for having provided the material from Carthage, for the Sidi Jdidi tessera and Lyon. Our appreciation also goes to Ian Freestone and Andrew Meek respectively for having worked out and provided the internal report on the horse foreleg in the British Museum. Finally we wish to thank Jennifer Price, Maria Grazia Diani respectively for the information on the Stanwick fragment and the piece in the Pogliaghi-Varesse collection. This research was supported by the Hercules Foundation (Brussels) with the grant AUHA09004 and FWO (Brussels, Belgium) projects no. G.0C12.13 and G.01769.09 and partly by the Research Council of Norway through its Centres of Excellence funding scheme, project number 223268/ F50. ;			Approved	Most recent IF: 0.883; 2015 IF: 0.464
	Call Number	UA @ admin @ c:irua:130244			Serial	5876
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	Author	Van Gompel, M.; Atalay, A.Y.; Gaulke, A.; Van Bael, M.K.; D'Haen, J.; Turner, S.; Van Tendeloo, G.; Vanacken, J.; Moshchalkov, V.V.; Wagner, P.
	Title	Morphological TEM studies and magnetoresistance analysis of sputtered Al-substituted ZnO films : the role of oxygen			Type	A1 Journal article
	Year	2015	Publication	Physica status solidi : A : applications and materials science	Abbreviated Journal	Phys Status Solidi A
	Volume	212	Issue	212	Pages	1191-1201
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	In this article, we report on the synthesis of thin, epitaxial films of the transparent conductive oxide Al:ZnO on (0001)-oriented synthetic sapphire substrates by DC sputtering from targets with a nominal 1 at.% Al substitution. The deposition was carried out at an unusually low substrate temperature of only 250 °C in argonoxygen mixtures as well as in pure argon. The impact of the processgas composition on the morphology was analysed by transmission electron microscopy, revealing epitaxial growth in all the cases with a minor impact of the process parameters on the resulting grain sizes. The transport properties resistivity, Hall effect and magnetoresistance were studied in the range from 10 to 300 K in DC and pulsed magnetic fields up to 45 T. While the carrier density and mobility are widely temperature independent, we identified a low fieldlow temperature regime in which the magnetoresistance shows an anomalous, negative behaviour. At higher fields and temperatures, the magnetoresistance exhibits a more conventional, positive curvature with increasing field strength. As a possible explanation, we propose carrier scattering at localised magnetic trace impurities and magnetic correlations.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000356706500003	Publication Date	2015-04-21
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1862-6300;	ISBN		Additional Links	UA library record; WoS full record
	Impact Factor	1.775	Times cited		Open Access
	Notes	Methusalem project NANO; FWO; 246791 COUNTATOMS			Approved	Most recent IF: 1.775; 2015 IF: 1.616
	Call Number	c:irua:126732			Serial	2204
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	Author	Michel, K.H.; Costamagna; Peeters, F.M.
	Title	Theory of thermal expansion in 2D crystals			Type	A1 Journal article
	Year	2015	Publication	Physica status solidi: B: basic research	Abbreviated Journal	Phys Status Solidi B
	Volume	252	Issue	252	Pages	2433-2437
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	The thermal expansion alpha(T) in layered crystals is of fundamental and technological interest. As suggested by I. M. Lifshitz in 1952, in thin solid films (crystalline membranes) a negative contribution to alpha(T) is due to anharmonic couplings between in-plane stretching modes and out-of-plane bending (flexural modes). Genuine in-plane anharmonicities give a positive contribution to alpha(T). The competition between these two effects can lead to a change of sign (crossover) from a negative value of alpha(T) in a temperature (T) range T <= T-alpha to a positive value of alpha(T) for T > T-alpha in layered crystals. Here, we present an analytical lattice dynamical theory of these phenomena for a two-dimensional (2D) hexagonal crystal. We start from a Hamiltonian that comprises anharmonic terms of third and fourth order in the lattice displacements. The in-plane and out-of-plane contributions to the thermal expansion are studied as functions of T for crystals of different sizes. Besides, renormalization of the flexural mode frequencies plays a crucial role in determining the crossover temperature T-alpha. Numerical examples are given for graphene where the anharmonic couplings are determined from experiments. The theory is applicable to other layer crystals wherever the anharmonic couplings are known. (C) 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Berlin	Editor
	Language		Wos	000364690400014	Publication Date	2015-08-06
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0370-1972	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.674	Times cited	21	Open Access
	Notes	; We thank B. Verberck, D. Lamoen, and A. Dobry for useful comments. We acknowledge funding from the FWO (Belgium)-MINCyT (Argentina) collaborative research project. This work is supported by the Euro GRAPHENE project CONGRAN. ;			Approved	Most recent IF: 1.674; 2015 IF: 1.489
	Call Number	UA @ lucian @ c:irua:130281			Serial	4264
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	Author	Matulis, A.; Zarenia, M.; Peeters, F.M.
	Title	Wave fronts and packets in 1D models of different meta-materials : graphene, left-handed media and transmission line			Type	A1 Journal article
	Year	2015	Publication	Physica status solidi: B: basic research	Abbreviated Journal	Phys Status Solidi B
	Volume	252	Issue	252	Pages	2330-2338
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	A comparative study is made of the propagation of wave packets and fronts in three different meta-media, i.e. graphene, left-handed media (LHM) and transmission lines, using one-dimensional models. It is shown that a potential step in graphene influences only the frequency of the electronic wave, i.e., the particular spectrum branch (electron or hole) to which the wave belongs to, while the envelop function (the wave front or packet form) remains unchanged. Although the model for a vacuum and LHM interface is similar to that of the potential step in graphene, the solutions are quite different due to differences in the chirality of the waves. Comparing the propagation of wave fronts and packets in a standard transmission line and its meta-analog we demonstrate that the propagating packets in the meta-line are much more deformed as compared to the standard one, including broadening, asymmetry and even the appearance of fast moving precursors. This influence is seen not only in the case of packets with steep fronts but in soft Gaussian packets as well.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Berlin	Editor
	Language		Wos	000362722300025	Publication Date	2015-07-20
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0370-1972	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.674	Times cited	1	Open Access
	Notes	; This work was financially supported by the Flemish Science Foundation (FWO-Vl), the Methusalem foundation of the Flemish government, and the European Social Fund under the Global Grant Measure (Grant No. VP1-3.1-SMM-07-K-02-046). ;			Approved	Most recent IF: 1.674; 2015 IF: 1.489
	Call Number	UA @ lucian @ c:irua:128776			Serial	4277
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	Author	Moldovan, D.; Peeters, F.M.
	Title	Strain engineering of the electronic properties of bilayer graphene quantum dots: Strain engineering of the electronic properties of bilayer graphene quantum dots			Type	A1 Journal article
	Year	2015	Publication	Physica status solidi: rapid research letters	Abbreviated Journal	Phys Status Solidi-R
	Volume	10	Issue	10	Pages	39-45
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We study the effect of mechanical deformations on the elec- tronic properties of hexagonal flakes of bilayer graphene. The behavior of electrons induced by triaxial strain can be de- scribed by an effective pseudo-magnetic field which is homo- geneous in the center of the flake. We find that in-plane strain, applied to both layers equally, can break the layer symmetry leading to different behavior in the top and bottom layers of graphene. At low energy, just one of the layers feels the pseudo-magnetic field: the zero-energy pseudo-Landau level is missing in the second layer, thus creating a gap be- tween the lowest non-zero levels. While the layer asymmetry is most significant at zero energy, interaction with the edges of the flake extends the effect to higher pseudo-Landau lev- els. The behavior of the top and bottom layers may be re- versed by rotating the triaxial strain by 60°.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000368814500005	Publication Date	2015-08-18
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1862-6254;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.032	Times cited	9	Open Access
	Notes	This work was supported by the European Science Foundation (ESF) under the EUROCORES Program EuroGRAPHENE within the project CONGRAN, the Flemish Science Foundation (FWO-Vl) and the Methusalem Funding of the Flemish Government.			Approved	Most recent IF: 3.032; 2015 IF: 2.142
	Call Number	c:irua:129592			Serial	3970
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	Author	Magnus, W.; Nelissen, K.
	Title	Quantum diffusion: A simple, exactly solvable model			Type	A1 Journal article
	Year	2015	Publication	Physica: A : theoretical and statistical physics	Abbreviated Journal	Physica A
	Volume	417	Issue	417	Pages	96-101
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We propose a simple quantum mechanical model describing the time dependent diffusion current between two fermion reservoirs that were initially disconnected and characterized by different densities or chemical potentials. The exact, analytical solution of the model yields the transient behavior of the coupled fermion systems evolving to a final steady state, whereas the long-time behavior is determined by a power law rather than by exponential decay. Similar results are obtained for the entropy production which is proportional to the diffusion current. (C) 2014 Elsevier B.V. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000345721800011	Publication Date	2014-09-28
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0378-4371;	ISBN		Additional Links	UA library record; WoS full record
	Impact Factor	2.243	Times cited		Open Access
	Notes	; ;			Approved	Most recent IF: 2.243; 2015 IF: 1.732
	Call Number	c:irua:122170			Serial	2777
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	Author	Van de Put, M.L.; Vandenberghe, W.G.; Magnus, W.; Sorée, B.
	Title	An envelope function formalism for lattice-matched heterostructures			Type	A1 Journal article
	Year	2015	Publication	Physica: B : condensed matter	Abbreviated Journal	Physica B
	Volume	470-471	Issue	470-471	Pages	69-75
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	The envelope function method traditionally employs a single basis set which, in practice, relates to a single material because the k.p matrix elements are generally only known in a particular basis. In this work, we defined a basis function transformation to alleviate this restriction. The transformation is completely described by the known inter-band momentum matrix elements. The resulting envelope function equation can solve the electronic structure in lattice matched heterostructures without resorting to boundary conditions at the interface between materials, while all unit-cell averaged observables can be calculated as with the standard envelope function formalism. In the case of two coupled bands, this heterostructure formalism is equivalent to the standard formalism while taking position dependent matrix elements. (C) 2015 Elsevier B.V. All rights reserved
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000355149600011	Publication Date	2015-04-26
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0921-4526;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.386	Times cited	5	Open Access
	Notes	; ;			Approved	Most recent IF: 1.386; 2015 IF: 1.319
	Call Number	c:irua:126397			Serial	95
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	Author	Çakir, D.; Kecik, D.; Sahin, H.; Durgun, E.; Peeters, F.M.
	Title	Realization of a p-n junction in a single layer boron-phosphide			Type	A1 Journal article
	Year	2015	Publication	Physical chemistry, chemical physics	Abbreviated Journal	Phys Chem Chem Phys
	Volume	17	Issue	17	Pages	13013-13020
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Two-dimensional (2D) materials have attracted growing interest due to their potential use in the next generation of nanoelectronic and optoelectronic applications. On the basis of first-principles calculations based on density functional theory, we first investigate the electronic and mechanical properties of single layer boron phosphide (h-BP). Our calculations show that h-BP is a mechanically stable 2D material with a direct band gap of 0.9 eV at the K-point, promising for both electronic and optoelectronic applications. We next investigate the electron transport properties of a p-n junction constructed from single layer boron phosphide (h-BP) using the non-equilibrium Green's function formalism. The n-and p-type doping of BP are achieved by substitutional doping of B with C and P with Si, respectively. C(Si) substitutional doping creates donor (acceptor) states close to the conduction (valence) band edge of BP, which are essential to construct an efficient p-n junction. By modifying the structure and doping concentration, it is possible to tune the electronic and transport properties of the p-n junction which exhibits not only diode characteristics with a large current rectification but also negative differential resistance (NDR). The degree of NDR can be easily tuned via device engineering.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Cambridge	Editor
	Language		Wos	000354195300065	Publication Date	2015-04-16
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1463-9076;1463-9084;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.123	Times cited	104	Open Access
	Notes	; This work was supported by the Flemish Science Foundation (FWO-Vl), the Methusalem foundation of the Flemish government and the Bilateral program FWO-TUBITAK (under the Project No. 113T050) between Flanders and Turkey. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure), and HPC infrastructure of the University of Antwerp (CalcUA) a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules foundation. D.C. is supported by a FWO Pegasus-short Marie Curie Fellowship. H.S. is supported by a FWO Pegasus Marie Curie-long Fellowship. E.D. acknowledges support from Bilim Akademisi – The Science Academy, Turkey under the BAGEP program. ;			Approved	Most recent IF: 4.123; 2015 IF: 4.493
	Call Number	c:irua:126394			Serial	2835
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	Author	Amini, M.N.; Saniz, R.; Lamoen, D.; Partoens, B.
	Title	The role of the V_Zn-N_O-H complex in the p-type conductivity in ZnO			Type	A1 Journal article
	Year	2015	Publication	Physical chemistry, chemical physics	Abbreviated Journal	Phys Chem Chem Phys
	Volume	17	Issue	17	Pages	5485-5489
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
	Abstract	Past research efforts aiming at obtaining stable p-type ZnO have been based on complexes involving nitrogen doping. A recent experiment by (J. G. Reynolds et al., Appl. Phys. Lett., 2013, 102, 152114) demonstrated a significant ([similar]1018 cm−3) p-type behavior in N-doped ZnO films after appropriate annealing. The p-type conductivity was attributed to a VZnNOH shallow acceptor complex, formed by a Zn vacancy (VZn), N substituting O (NO), and H interstitial (Hi). We present here a first-principles hybrid functional study of this complex compared to the one without hydrogen. Our results confirm that the VZnNOH complex acts as an acceptor in ZnO. We find that H plays an important role, because it lowers the formation energy of the complex with respect to VZnNO, a complex known to exhibit (unstable) p-type behavior. However, this additional H atom also occupies the hole level at the origin of the shallow behavior of VZnNO, leaving only two states empty higher in the band gap and making the VZnNOH complex a deep acceptor. Therefore, we conclude that the cause of the observed p-type conductivity in experiment is not the presence of the VZnNOH complex, but probably the formation of the VZnNO complex during the annealing process.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Cambridge	Editor
	Language		Wos	000349616400080	Publication Date	2015-01-20
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1463-9076;1463-9084;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.123	Times cited	20	Open Access
	Notes	FWO G021614N; FWO G015013; FWO G018914N; GOA; Hercules			Approved	Most recent IF: 4.123; 2015 IF: 4.493
	Call Number	c:irua:123218			Serial	3592
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	Author	Çakir, D.; Peeters, F.M.
	Title	Fluorographane : a promising material for bipolar doping of MoS₂			Type	A1 Journal article
	Year	2015	Publication	Physical chemistry, chemical physics	Abbreviated Journal	Phys Chem Chem Phys
	Volume	17	Issue	17	Pages	27636-27641
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Using first principles calculations we investigate the structural and electronic properties of interfaces between fluorographane and MoS2. Unsymmetrical functionalization of graphene with H and F results in an intrinsic dipole moment perpendicular to the plane of the buckled graphene skeleton. Depending on the orientation of this dipole moment, the electronic properties of a physically absorbed MoS2 monolayer can be switched from n-to p-type or vice versa. We show that one can realize vanishing n-type/p-type Schottky barrier heights when contacting MoS2 to fluorographane. By applying a perpendicular electric field, the size of the Schottky barrier and the degree of doping can be tuned. Our calculations indicate that a fluorographane monolayer is a promising candidate for bipolar doping of MoS2, which is vital in the design of novel technological applications based on two-dimensional materials.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Cambridge	Editor
	Language		Wos	000363193800043	Publication Date	2015-09-25
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1463-9076	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.123	Times cited	7	Open Access
	Notes	; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem foundation of the Flemish government. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TRGrid e-Infrastructure), and HPC infrastructure of the University of Antwerp (CalcUA) a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules foundation. ;			Approved	Most recent IF: 4.123; 2015 IF: 4.493
	Call Number	UA @ lucian @ c:irua:129477			Serial	4182
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	Author	Kang, J.; Sahin, H.; Peeters, F.M.
	Title	Mechanical properties of monolayer sulphides : a comparative study between MoS₂, HfS₂ and TiS₃			Type	A1 Journal article
	Year	2015	Publication	Physical chemistry, chemical physics	Abbreviated Journal	Phys Chem Chem Phys
	Volume	17	Issue	17	Pages	27742-27749
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	The in-plane stiffness (C), Poisson's ratio (nu), Young's modulus and ultimate strength (sigma) along two different crystallographic orientations are calculated for the single layer crystals: MoS2, HfS2 and TiS3 in 1H, 1T and monoclinic phases. We find that MoS2 and HfS2 have isotropic in-plane stiffnesses of 124.24 N m(-1) and 79.86 N m(-1), respectively. While for TiS3 the in-plane stiffness is highly anisotropic due to its monoclinic structure, with C-x = 83.33 N m(-1) and C-y = 133.56 N m(-1) (x and y are parallel to its longer and shorter in-plane lattice vectors.). HfS2 which is in the 1T phase has the smallest anisotropy in its ultimate strength, whereas TiS3 in the monoclinic phase has the largest. Along the armchair direction MoS2 has the largest sigma of 23.48 GPa, whereas along y TiS3 has the largest sigma of 18.32 GPa. We have further analyzed the band gap response of these materials under uniaxial tensile strain, and find that they exhibit different behavior. Along both armchair and zigzag directions, the band gap of MoS2 (HfS2) decreases (increases) as strain increases, and the response is almost isotropic. For TiS3, the band gap decreases when strain is along x, while if strain is along y, the band gap increases first and then decreases beyond a threshold strain value. The different characteristics observed in these sulphides with different structures shed light on the relationship between the structure and properties, which is useful for applications in nanotechnology.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Cambridge	Editor
	Language		Wos	000363193800055	Publication Date	2015-09-25
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1463-9076	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.123	Times cited	83	Open Access
	Notes	; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem foundation of the Flemish government. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure), and HPC infrastructure of the University of Antwerp (CalcUA) a division of the Flemish Super-computer Center (VSC), which is funded by the Hercules foundation. H.S. is supported by a FWO Pegasus-Long Marie Curie Fellowship, and J.K. by a FWO Pegasus-Short Marie Curie Fellowship. ;			Approved	Most recent IF: 4.123; 2015 IF: 4.493
	Call Number	UA @ lucian @ c:irua:129478			Serial	4204
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	Author	Dantas, D.S.; Lima, A.R.P.; Chaves, A.; Almeida, C.A.S.; Farias, G.A.; Milošević, M.V.
	Title	Bound vortex states and exotic lattices in multicomponent Bose-Einstein condensates : the role of vortex-vortex interaction			Type	A1 Journal article
	Year	2015	Publication	Physical review : A : atomic, molecular and optical physics	Abbreviated Journal	Phys Rev A
	Volume	91	Issue	91	Pages	023630
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We numerically study the vortex-vortex interaction in multicomponent homogeneous Bose-Einstein condensates within the realm of the Gross-Pitaevskii theory. We provide strong evidence that pairwise vortex interaction captures the underlying mechanisms which determine the geometric configuration of the vortices, such as different lattices in many-vortex states, as well as the bound vortex states with two (dimer) or three (trimer) vortices. Specifically, we discuss and apply our theoretical approach to investigate intra- and intercomponent vortex-vortex interactions in two- and three-component Bose-Einstein condensates, thereby shedding light on the formation of the exotic vortex configurations. These results correlate with current experimental efforts in multicomponent Bose-Einstein condensates and the understanding of the role of vortex interactions in multiband superconductors.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lancaster, Pa	Editor
	Language		Wos	000350255200014	Publication Date	2015-02-27
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1050-2947;1094-1622;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.925	Times cited	12	Open Access
	Notes	; This work was supported by the National Council for Scientific and Technological Development (CNPq-Brazil), the Coordination for the Improvement of Higher Education Personnel (CAPES-Brazil), Research Foundation Flanders (FWO), and the bilateral FWO-CNPq program between Flanders and Brazil. M.V.M. acknowledges support from the CAPES-PVE program (Grant No. BEX1392/11-5). ;			Approved	Most recent IF: 2.925; 2015 IF: 2.808
	Call Number	c:irua:124907			Serial	252
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	Author	Kuopanportti, P.; Orlova, N.V.; Milošević, M.V.
	Title	Ground-state multiquantum vortices in rotating two-species superfluids			Type	A1 Journal article
	Year	2015	Publication	Physical review : A : atomic, molecular and optical physics	Abbreviated Journal	Phys Rev A
	Volume	91	Issue	91	Pages	043605
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We show numerically that a rotating, harmonically trapped mixture of two Bose-Einstein-condensed superfluids cancontrary to its single-species counterpartcontain a multiply quantized vortex in the ground state of the system. This giant vortex can occur without any accompanying single-quantum vortices, may either be coreless or have an empty core, and can be realized in a Rb87−K41 Bose-Einstein condensate. Our results not only provide a rare example of a stable, solitary multiquantum vortex but also reveal exotic physics stemming from the coexistence of multiple, compositionally distinct condensates in one system.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lancaster, Pa	Editor
	Language		Wos	000352255200005	Publication Date	2015-04-07
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1050-2947;1094-1622;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.925	Times cited	25	Open Access
	Notes	; This work was supported by the Finnish Cultural Foundation, the Research Foundation – Flanders (FWO), and the Magnus Ehrnrooth Foundation. We thank E. Ruokokoski and T. P. Simula for valuable comments and discussions. ;			Approved	Most recent IF: 2.925; 2015 IF: 2.808
	Call Number	c:irua:124906			Serial	1388
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	Author	Van Boxem, R.; Partoens, B.; Verbeeck, J.
	Title	Inelastic electron-vortex-beam scattering			Type	A1 Journal article
	Year	2015	Publication	Physical review : A : atomic, molecular and optical physics	Abbreviated Journal	Phys Rev A
	Volume	91	Issue	91	Pages	032703
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
	Abstract	Recent theoretical and experimental developments in the field of electron-vortex-beam physics have raised questions about what exactly this novelty in the field of electron microscopy (and other fields, such as particle physics) really provides. An important part of the answer to these questions lies in scattering theory. The present investigation explores various aspects of inelastic quantum scattering theory for cylindrically symmetric beams with orbital angular momentum. The model system of Coulomb scattering on a hydrogen atom provides the setting to address various open questions: How is momentum transferred? Do vortex beams selectively excite atoms, and how can one employ vortex beams to detect magnetic transitions? The analytical approach presented here provides answers to these questions. OAM transfer is possible, but not through selective excitation; rather, by pre- and postselection one can filter out the relevant contributions to a specific signal.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lancaster, Pa	Editor
	Language		Wos	000351035000004	Publication Date	2015-03-16
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1050-2947;1094-1622;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.925	Times cited	31	Open Access
	Notes	Fwo; 312483 Esteem2; 278510 Vortex; esteem2jra3 ECASJO;			Approved	Most recent IF: 2.925; 2015 IF: 2.808
	Call Number	c:irua:123925 c:irua:123925UA @ admin @ c:irua:123925			Serial	1607
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	Author	Hannibal, S.; Kettmann, P.; Croitoru, M.D.; Vagov, A.; Axt, V.M.; Kuhn, T.
	Title	Quench dynamics of an ultracold Fermi gas in the BCS regime : spectral properties and confinement-induced breakdown of the Higgs mode			Type	A1 Journal article
	Year	2015	Publication	Physical review : A : atomic, molecular and optical physics	Abbreviated Journal	Phys Rev A
	Volume	91	Issue	91	Pages	043630
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	The Higgs amplitude mode of the order parameter of an ultracold confined Fermi gas in the BCS regime after a quench of the coupling constant is analyzed theoretically. A characteristic feature is a damped oscillation which at a certain transition time changes into a rather irregular dynamics. We compare the numerical solution of the full set of nonlinear equations of motion for the normal and anomalous Bogoliubov quasiparticle excitations with a linearized approximation. In doing so the transition time as well as the difference between resonant systems, i.e., systems where the Fermi energy is close to a sub-band minimum, and off-resonant systems can be well understood and traced back to the system and geometry parameters.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lancaster, Pa	Editor
	Language		Wos	000353448500005	Publication Date	2015-04-24
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1094-1622; 1050-2947	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.925	Times cited	10	Open Access
	Notes	; M.D.C. acknowledges support by the BELSPO Back to Belgium Grant. ;			Approved	Most recent IF: 2.925; 2015 IF: NA
	Call Number	UA @ lucian @ c:irua:132509			Serial	4235
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	Author	Grujić, M.M.; Tadic, M.Z.; Peeters, F.M.
	Title	Chiral properties of topological-state loops			Type	A1 Journal article
	Year	2015	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	91	Issue	91	Pages	245432
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	The angular momentum quantization of chiral gapless modes confined to a circularly shaped interface between two different topological phases is investigated. By examining several different setups, we show analytically that the angular momentum of the topological modes exhibits a highly chiral behavior, and can be coupled to spin and/or valley degrees of freedom, reflecting the nature of the interface states. A simple general one-dimensional model, valid for arbitrarily shaped loops, is shown to predict the corresponding energies and the magnetic moments. These loops can be viewed as building blocks for artificial magnets with tunable and highly diverse properties.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lancaster, Pa	Editor
	Language		Wos	000356928200005	Publication Date	2015-06-27
	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	; This work was supported by the Ministry of Education, Science and Technological Development (Serbia), and the Fonds Wetenschappelijk Onderzoek (Belgium). ;			Approved	Most recent IF: 3.836; 2015 IF: 3.736
	Call Number	c:irua:127039			Serial	357
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	Author	Shylau, A.A.; Badalyan, S.M.; Peeters, F.M.; Jauho, A.P.
	Title	Electron polarization function and plasmons in metallic armchair graphene nanoribbons			Type	A1 Journal article
	Year	2015	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	91	Issue	91	Pages	205444
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Plasmon excitations in metallic armchair graphene nanoribbons are investigated using the random phase approximation. An exact analytical expression for the polarization function of Dirac fermions is obtained, valid for arbitrary temperature and doping. We find that at finite temperatures, due to the phase space redistribution among inter-band and intra-band electronic transitions in the conduction and valence bands, the full polarization function becomes independent of temperature and position of the chemical potential. It is shown that for a given width of nanoribbon there exists a single plasmon mode whose energy dispersion is determined by the graphene's fine structure constant. In the case of two Coulomb-coupled nanoribbons, this plasmon splits into in-phase and out-of-phase plasmon modes with splitting energy determined by the inter-ribbon spacing.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000355315400007	Publication Date	2015-05-29
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1098-0121	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.836	Times cited	13	Open Access
	Notes	; The Center for Nanostructured Graphene (CNG) is sponsored by the Danish National Research Foundation (DNRF58). The work at the University of Antwerp was supported by the Flemisch Science Foundation (FWO-Vl) and the Methusalem Foundation of the Flemish Government. S.M.B. gratefully acknowledges hospitality and support from the Department of Physics at the University of Missouri. ;			Approved	Most recent IF: 3.836; 2015 IF: 3.736
	Call Number	c:irua:126403			Serial	984
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	Author	Petrovic, M.D.; Peeters, F.M.
	Title	Fano resonances in the conductance of graphene nanoribbons with side gates			Type	A1 Journal article
	Year	2015	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	91	Issue	91	Pages	035444
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	The control of side gates on the quantum electron transport in narrow graphene ribbons of different widths and edge types (armchair and zigzag) is investigated. The conductance exhibits Fano resonances with varying side gate potential. Resonant and antiresonant peaks in the conductance can be associated with the eigenstates of a closed system, and these peaks can be accurately fitted with a Fano line shape. The local density of states (LDOS) and the electron current show a specific behavior at these resonances, which depends on the ribbon edge type. In zigzag ribbons, transport is dominated by intervalley scattering, which is reflected in the transmission functions of individual modes. The side gates induce p-n interfaces near the edges at which the LDOS exhibits peaks. Near the resonance points, the electron current flows uniformly through the constriction, while near the antiresonances it creates vortices. In the armchair ribbons the LDOS spreads in areas of high potential, with current flowing near the edges.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000351217900005	Publication Date	2015-01-30
	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	17	Open Access
	Notes	; This work was supported by the Methusalem programme of the Flemish government. ;			Approved	Most recent IF: 3.836; 2015 IF: 3.736
	Call Number	c:irua:125422			Serial	1172
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	Author	Bacaksiz, C.; Sahin, H.; Ozaydin, H.D.; Horzum, S.; Senger, R.T.; Peeters, F.M.
	Title	Hexagonal A1N : dimensional-crossover-driven band-gap transition			Type	A1 Journal article
	Year	2015	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	91	Issue	91	Pages	085430
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Motivated by a recent experiment that reported the successful synthesis of hexagonal (h) AlN [Tsipas et al., Appl. Phys. Lett. 103, 251605 (2013)], we investigate structural, electronic, and vibrational properties of bulk, bilayer, and monolayer structures of h-AlN by using first-principles calculations. We show that the hexagonal phase of the bulk h-AlN is a stable direct-band-gap semiconductor. The calculated phonon spectrum displays a rigid-layer shear mode at 274 cm(-1) and an E-g mode at 703 cm(-1), which are observable by Raman measurements. In addition, single-layer h-AlN is an indirect-band-gap semiconductor with a nonmagnetic ground state. For the bilayer structure, AA'-type stacking is found to be the most favorable one, and interlayer interaction is strong. While N-layered h-AlN is an indirect-band-gap semiconductor for N = 1 – 9, we predict that thicker structures (N >= 10) have a direct band gap at the Gamma point. The number-of-layer-dependent band-gap transitions in h-AlN is interesting in that it is significantly different from the indirect-to-direct crossover obtained in the transition-metal dichalcogenides.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000350319200020	Publication Date	2015-02-27
	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	99	Open Access
	Notes	; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem foundation of the Flemish government. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). C.B. and R.T.S. acknowledge the support from TUBITAK Project No 114F397. H.S. is supported by a FWO Pegasus Long Marie Curie Fellowship. ;			Approved	Most recent IF: 3.836; 2015 IF: 3.736
	Call Number	c:irua:125416			Serial	1421
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	Author	Nishio, K.; Lu, A.K.A.; Pourtois, G.
	Title	Low-strain Si/O superlattices with tunable electronic properties : ab initio calculations			Type	A1 Journal article
	Year	2015	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	91	Issue	91	Pages	165303
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	We propose that low-strain Si/O superlattices can be constructed by connecting reconstructed Si{001} surfaces by Si-O-Si bridges. Ab initio calculations show that our models are energetically more favorable than all the models proposed so far. The part of our Si/O superlattice model is experimentally accessible just by oxidizing a Si( 001) substrate. To complete our Si/O superlattice model, we propose a three-step method. We also explore the potential of our Si/O superlattice models for new materials used in future Si electronics. We find that the location of the channel where the carriers travel can be controlled between the interfaces and the Si layers by the insertion of O atoms into the Si-Si dimers. By revealing the origins of the interface electron and hole states, we find that similar interface states should be easily achieved for Si slabs and Si substrates. Interestingly, the interface electrons and holes have small effective masses in the direction parallel to the channel and large effective masses in the direction normal to the channel, which makes the Si/O superlattices attractive to be used for channel materials. We also find that the valley splitting of Si is enhanced by the formation of the Si/O/Si interfaces, which is ideal for developing Si-based qubits. Our findings open new perspectives to design and control the electronic properties of Si.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000352986700002	Publication Date	2015-04-16
	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; 2015 IF: 3.736
	Call Number	c:irua:125998			Serial	1852
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	Author	Tahir, M.; Vasilopoulos, P.; Peeters, F.M.
	Title	Magneto-optical transport properties of monolayer phosphorene			Type	A1 Journal article
	Year	2015	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	92	Issue	92	Pages	045420
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	The electronic properties of monolayer phosphorene are exotic due to its puckered structure and large intrinsic direct band gap. We derive and discuss its band structure in the presence of a perpendicular magnetic field. Further, we evaluate the magneto-optical Hall and longitudinal optical conductivities as functions of temperature, magnetic field, and Fermi energy, and show that they are strongly influenced by the magnetic field. The imaginary part of the former and the real part of the latter exhibit regular interband oscillations as functions of the frequency omega in the range (h) over bar omega similar to 1.5-2 eV. Strong intraband responses in the latter and weak ones in the former occur at much lower frequencies. The magneto-optical response can be tuned in the microwave-to-terahertz and visible frequency ranges in contrast with a conventional two-dimensional electron gas or graphene in which the response is limited to the terahertz regime. This ability to isolate carriers in an anisotropic structure may make phosphorene a promising candidate for new optical devices.
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	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000358373600003	Publication Date	2015-07-23
	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	68	Open Access
	Notes	; This work was supported by the the Canadian NSERC Grant No. OGP0121756 (M.T., P.V.) and by the Flemish Science Foundation (FWO-Vl) (F.M.P.). ;			Approved	Most recent IF: 3.836; 2015 IF: 3.736
	Call Number	c:irua:127192			Serial	1903
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	Author	Zha, G.-Q.; Covaci, L.; Peeters, F.M.; Zhou, S.-P.
	Title	Mixed pairing symmetries and flux-induced spin current in mesoscopic superconducting loops with spin correlations			Type	A1 Journal article
	Year	2015	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	91	Issue	91	Pages	214504
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We numerically investigate the mixed pairing symmetries inmesoscopic superconducting loops in the presence of spin correlations by solving the Bogoliubov-de Gennes equations self-consistently. The spatial variations of the superconducting order parameters and the spontaneous magnetization are determined by the band structure. When the threaded magnetic flux turns on, the charge and spin currents both emerge and depict periodic evolution. In the case of a mesoscopic loop with dominant triplet p(x) +/- ip(y)-wave symmetry, a slight change of the chemical potential may lead to novel flux-dependent evolution patterns of the ground-state energy and the magnetization. The spin-polarized currents show pronounced quantum oscillations with fractional periods due to the appearance of energy jumps in flux, accompanied with a steplike feature of the enhanced spin current. Particularly, at some appropriate flux, the peaks of the zero-energy local density of states clearly indicate the occurrence of the odd-frequency pairing. In the case of a superconducting loop with dominant singlet d(x2-y2)-wave symmetry, the spatial profiles of the zero-energy local density of states and the magnetization show spin-dependent features on different sample diagonals. Moreover, the evolution of the flux-induced spin current always exhibits an hc/e periodicity.
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	Publisher		Place of Publication		Editor
	Language		Wos	000355647100003	Publication Date	2015-06-05
	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	; This work was supported by the National Natural Science Foundation of China under Grants No. 61371020 and No. 61271163, by the Visiting Scholar Program of Shanghai Municipal Education Commission, and by the Flemish Science Foundation (FWO-Vl). ;			Approved	Most recent IF: 3.836; 2015 IF: 3.736
	Call Number	c:irua:126433			Serial	2089
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	Author	Muñoz, W.A.; Covaci, L.; Peeters, F.M.
	Title	Disordered graphene Josephson junctions			Type	A1 Journal article
	Year	2015	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	91	Issue	91	Pages	054506
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	A tight-binding approach based on the Chebyshev-Bogoliubov-de Gennes method is used to describe disordered single-layer graphene Josephson junctions. Scattering by vacancies, ripples, or charged impurities is included. We compute the Josephson current and investigate the nature of multiple Andreev reflections, which induce bound states appearing as peaks in the density of states for energies below the superconducting gap. In the presence of single-atom vacancies, we observe a strong suppression of the supercurrent, which is a consequence of strong intervalley scattering. Although lattice deformations should not induce intervalley scattering, we find that the supercurrent is still suppressed, which is due to the presence of pseudomagnetic barriers. For charged impurities, we consider two cases depending on whether the average doping is zero, i.e., existence of electron-hole puddles, or finite. In both cases, short-range impurities strongly affect the supercurrent, similar to the vacancies scenario.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000349436500001	Publication Date	2015-02-06
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1098-0121;1550-235X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.836	Times cited	7	Open Access
	Notes	This work was supported by the Flemish Science Foundation (FWO-Vlaanderen) and the Methusalem funding of the Flemish Government.			Approved	Most recent IF: 3.836; 2015 IF: 3.736
	Call Number	c:irua:129192			Serial	3961
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