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Author Lu, J.; Roeffaers, M.B.J.; Bartholomeeusen, E.; Sels, B.F.; Schryvers, D.
  Title Intergrowth of components and ramps in coffin-shaped ZSM-5 zeolite crystals unraveled by focused ion beam-assisted transmission electron microscopy Type A1 Journal article
  Year 2014 Publication Microscopy and microanalysis Abbreviated Journal Microsc Microanal
  Volume 20 Issue 1 Pages 42-49
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Scanning electron microscopy, focused ion beam (FIB), and transmission electron microscopy are combined to study the intergrowth of 90 degrees rotational components and of ramps in coffin-shaped ZSM-5 crystals. The 90 degrees rotational boundaries with local zig-zag features between different intergrowth components are observed in the main part of crystal. Also a new kind of displacement boundary is described. At the displacement boundary there is a shift of the unit cells along the boundary without a change in orientation. Based on lamellae prepared with FIB from different positions of the ramps and crystal, the orientation relationships between ramps and the main part of the crystal are studied and the three-dimensional morphology and growth mechanism of the ramp are illustrated.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Cambridge, Mass. Editor
  Language Wos 000335378400006 Publication Date 2013-11-05
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN (down) 1431-9276;1435-8115; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 1.891 Times cited 7 Open Access
  Notes Approved Most recent IF: 1.891; 2014 IF: 1.877
  Call Number UA @ lucian @ c:irua:117688 Serial 1697
Permanent link to this record
 

 
Author Grieten, E.; Caen, J.; Schryvers, D.
  Title Optimal sample preparation to characterize corrosion in historical photographs with analytical TEM Type A1 Journal article
  Year 2014 Publication Microscopy and microanalysis Abbreviated Journal Microsc Microanal
  Volume 20 Issue 5 Pages 1585-1590
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Antwerp Cultural Heritage Sciences (ARCHES)
  Abstract An alternative focused ion beam preparation method is used for sampling historical photographs containing metallic nanoparticles in a polymer matrix. We use the preparation steps of classical ultra-microtomy with an alternative final sectioning with a focused ion beam. Transmission electron microscopy techniques show that the lamella has a uniform thickness, which is an important factor for analytical transmission electron microscopy. Furthermore, the method maintains the spatial distribution of nanoparticles in the soft matrix. The results are compared with traditional preparation techniques such as ultra-microtomy and classical focused ion beam milling.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Cambridge, Mass. Editor
  Language Wos 000345742900031 Publication Date 2014-09-26
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN (down) 1431-9276;1435-8115; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 1.891 Times cited Open Access
  Notes Approved Most recent IF: 1.891; 2014 IF: 1.877
  Call Number UA @ lucian @ c:irua:118481 Serial 2484
Permanent link to this record
 

 
Author Goris, B.; Freitag, B.; Zanaga, D.; Bladt, E.; Altantzis, T.; Ringnalda, J.; Bals, S.
  Title Towards quantitative EDX results in 3 dimensions Type A1 Journal article
  Year 2014 Publication Microscopy and microanalysis Abbreviated Journal Microsc Microanal
  Volume 20 Issue S:3 Pages 766-767
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Cambridge, Mass. Editor
  Language Wos Publication Date 2014-08-27
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN (down) 1431-9276;1435-8115; ISBN Additional Links UA library record
  Impact Factor 1.891 Times cited Open Access OpenAccess
  Notes 335078 Colouratom; Fwo; ECAS_Sara; (ROMEO:green; preprint:; postprint:can ; pdfversion:cannot); Approved Most recent IF: 1.891; 2014 IF: 1.877
  Call Number UA @ lucian @ c:irua:125381 Serial 3687
Permanent link to this record
 

 
Author Masenelli-Varlot, K.; Malchere, A.; Ferreira, J.; Heidari Mezerji, H.; Bals, S.; Messaoudi, C.; Garrido, S.M.
  Title Wet-STEM tomography : principles, potentialities and limitations Type A1 Journal article
  Year 2014 Publication Microscopy and microanalysis Abbreviated Journal Microsc Microanal
  Volume 20 Issue 2 Pages 366-375
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract The characterization of biological and inorganic materials by determining their three-dimensional structure in conditions closer to their native state is a major challenge of technological research. Environmental scanning electron microscopy (ESEM) provides access to the observation of hydrated samples in water environments. Here, we present a specific device for ESEM in the scanning transmission electron microscopy mode, allowing the acquisition of tilt-series suitable for tomographic reconstructions. The resolution which can be obtained with this device is first determined. Then, we demonstrate the feasibility of tomography on wet materials. The example studied here is hydrophilic mesoporous silica (MCM-41). Finally, the minimum thickness of water which can be detected is calculated from Monte Carlo simulations and compared with the resolution expected in the tomograms.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Cambridge, Mass. Editor
  Language Wos 000337304700005 Publication Date 2014-02-26
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN (down) 1431-9276;1435-8115; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 1.891 Times cited 9 Open Access OpenAccess
  Notes IAP-PAI; European Research Council under the 7th Framework Program (FP7); ERC grant no. 335078-COLOURATOMS.; ECAS_Sara; (ROMEO:green; preprint:; postprint:can ; pdfversion:cannot); Approved Most recent IF: 1.891; 2014 IF: 1.877
  Call Number UA @ lucian @ c:irua:118411 Serial 3915
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Author Jones, L.; Martinez, G.T.; Béché, A.; Van Aert, S.; Nellist, P.D.
  Title Getting the best from an imperfect detector : an alternative normalisation procedure for quantitative HAADF STEM Type A1 Journal article
  Year 2014 Publication Microscopy and microanalysis Abbreviated Journal Microsc Microanal
  Volume 20 Issue S3 Pages 126-127
  Keywords A1 Journal article; Engineering Management (ENM); Electron microscopy for materials research (EMAT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Cambridge, Mass. Editor
  Language Wos Publication Date 2014-08-27
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN (down) 1431-9276 ISBN Additional Links UA library record
  Impact Factor 1.891 Times cited Open Access
  Notes Approved Most recent IF: 1.891; 2014 IF: 1.877
  Call Number UA @ lucian @ c:irua:136445 Serial 4500
Permanent link to this record
 

 
Author Pilehvar, S.; Dierckx, T.; Blust, R.; Breugelmans, T.; De Wael, K.
  Title An electrochemical impedimetric aptasensing platform for sensitive and selective detection of small molecules such as chloramphenicol Type A1 Journal article
  Year 2014 Publication Sensors Abbreviated Journal Sensors-Basel
  Volume 14 Issue 7 Pages 12059-12069
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Applied Electrochemistry & Catalysis (ELCAT)
  Abstract We report on the aptadetection of chloramphenicol (CAP) using electrochemical impedance spectroscopy. The detection principle is based on the changes of the interfacial properties of the electrode after the interaction of the ssDNA aptamers with the target molecules. The electrode surface is partially blocked due to the formation of the aptamer-CAP complex, resulting in an increase of the interfacial electron-transfer resistance of the redox probe detected by electrochemical impedance spectroscopy or cyclic voltammetry. We observed that the ratio of polarization resistance had a linear relationship with the concentrations of CAP in the range of 1.76127 nM, and a detection limit of 1.76 nM was obtained. The covalent binding of CAP-aptamer on the electrode surface combined with the unique properties of aptamers and impedimetric transduction leads to the development of a stable and sensitive electrochemical aptasensor for CAP.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000340035700041 Publication Date 2014-07-07
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN (down) 1424-8220 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.677 Times cited 34 Open Access
  Notes ; We are thankful to UA-DOCPRO and UA-BOFACA for financial support. ; Approved Most recent IF: 2.677; 2014 IF: 2.245
  Call Number UA @ admin @ c:irua:117845 Serial 5592
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Author Dirtu, A.C.; Buczyńska, A.J.; Godoi, A.F.L.; Favoreto, R.; Bencs, L.; Potgieter-Vermaak, S.S.; Godoi, R.H.M.; Van Grieken, R.; Van Vaeck, L.
  Title Methods, fluxes and sources of gas phase alkyl nitrates in the coastal air Type A1 Journal article
  Year 2014 Publication Environmental monitoring and assessment Abbreviated Journal
  Volume 186 Issue 10 Pages 6445-6457
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Toxicological Centre
  Abstract The daily and seasonal atmospheric concentrations, deposition fluxes and emission sources of a few C3C9 gaseous alkyl nitrates (ANs) at the Belgian coast (De Haan) on the Southern North Sea were determined. An adapted sampler design for low- and high-volume air-sampling, optimized sample extraction and clean-up, as well as identification and quantification of ANs in air samples by means of gas chromatography mass spectrometry, are reported. The total concentrations of ANs ranged from 0.03 to 85 pptv and consisted primarily of the nitro-butane and nitro-pentane isomers. Air mass backward trajectories were calculated by the Hybrid Single-Particle Lagrangian Integrated Trajectory (HYSPLIT) model to determine the influence of main air masses on AN levels in the air. The shorter chain ANs have been the most abundant in the Atlantic/Channel/UK air masses, while longer chain ANs prevailed in continental air. The overall mean N fluxes of the ANs were slightly higher for summer than those for winter-spring, although their contributions to the total nitrogen flux were low. High correlations between AN and HNO2 levels were observed during winter/spring. During summer, the shorter chain ANs correlated well with precipitation. Source apportionment by means of principal component analysis indicated that most of the gas phase ANs could be attributed to traffic/combustion, secondary photochemical formation and biomass burning, although marine sources may also have been present and a contributing factor.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000341497800035 Publication Date 2014-06-21
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN (down) 1420-2026; 1573-2967 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited Open Access
  Notes Approved no
  Call Number UA @ admin @ c:irua:118906 Serial 8224
Permanent link to this record
 

 
Author van Oers, C.J.; Kurttepeli, M.; Mertens, M.; Bals, S.; Meynen, V.; Cool, P.
  Title Zeolite \beta nanoparticles based bimodal structures : mechanism and tuning of the porosity and zeolitic properties Type A1 Journal article
  Year 2014 Publication Microporous and mesoporous materials: zeolites, clays, carbons and related materials Abbreviated Journal Micropor Mesopor Mat
  Volume 185 Issue Pages 204-212
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA)
  Abstract Despite great efforts in the research area of zeolite nanoparticles and their use in the synthesis of bimodal materials, still little is known about the impact of the synthesis conditions of the zeolite nanoparticles on its own characteristics, and on the properties and the formation mechanism of the final bimodal materials. A zeolite β nanoparticles solution is applied in a mesotemplate-free synthesis method, and the influence of the hydrothermal ageing temperature of the nanoparticles solution on both the zeolitic and porosity characteristics of the final bimodal material has been studied. Transmission electron microscopy in combination with 3-dimensional reconstructions obtained by electron tomography revealed that the zeolite β nanoparticles are connected by neck-like structures, thus creating a wormhole-like mesoporous material. Considering the zeolitic properties, a clear threshold is observed in the synthesis temperature series at 413 K. Below and at this threshold, the biporous materials show no apparent zeolitic characteristics, although these materials exhibit a more condensed and uniform SiOSi network in comparison to Al-MCF. Synthesis temperatures above the threshold lead to bimodal structures with defined zeolitic properties. Moreover, the dimensions of the nanoparticles are studied by TEM, revealing an increasing particle size with increasing temperature under the threshold of 413 K, which is in agreement with a sol-mechanism. This mechanism is disturbed after the threshold due to the start of the crystallisation process.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Amsterdam Editor
  Language Wos 000330930400025 Publication Date 2013-11-21
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN (down) 1387-1811; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.615 Times cited 10 Open Access OpenAccess
  Notes 262348 Esmi Approved Most recent IF: 3.615; 2014 IF: 3.453
  Call Number UA @ lucian @ c:irua:112501 Serial 3930
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Author Scalise, E.; Houssa, M.; Pourtois, G.; Afanas'ev, V.V.; Stesmans, A.
  Title First-principles study of strained 2D MoS2 Type A1 Journal article
  Year 2014 Publication Physica. E: Low-dimensional systems and nanostructures Abbreviated Journal Physica E
  Volume 56 Issue Pages 416-421
  Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract The electronic and vibrational properties of 2D honeycomb structures of molybdenum disulfide (MoS2) subjected to strain have been investigated using first-principles calculations based on density functional theory. We have studied the evolution of the electronic properties of bulk and layered MoS2, going down from a few layers up to a mono-layer, and next investigated the effect of bi-axial strain on their electronic structure and vibrational frequencies. Both for tensile and compressive biaxial strains, the shrinking of the energy band-gap of MoS2 with increasing level of applied strain is observed and a transition limit of the system from semiconducting to metallic is predicted to occur for strains in the range of 8-10%. We also found a progressive downshift (upshift) of both the E-2g(1) and A(1g) Raman active modes with increasing level of applied tensile (compressive) strain. Interestingly, significant changes in the curvature of the conduction and valence band near their extrema upon the application of strain are also predicted, with correlated variations of the electron and hole effective masses. These changes present interesting possibilities for engineering the electronic properties of 2D structures of MoS2. (C) 2012 Elsevier B.V. All rights reserved.
  Address
  Corporate Author Thesis
  Publisher North-Holland Place of Publication Amsterdam Editor
  Language Wos 000330815800070 Publication Date 2012-08-08
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN (down) 1386-9477; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.221 Times cited 72 Open Access
  Notes Approved Most recent IF: 2.221; 2014 IF: 2.000
  Call Number UA @ lucian @ c:irua:115761 Serial 1220
Permanent link to this record
 

 
Author Van Gaens, W.; Bruggeman, P.J.; Bogaerts, A.
  Title Numerical analysis of the NO and O generation mechanism in a needle-type plasma jet Type A1 Journal article
  Year 2014 Publication New journal of physics Abbreviated Journal New J Phys
  Volume 16 Issue Pages 063054
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract In this paper we study two cold atmospheric pressure plasma jets, operating in Ar + 2% air, with a different electrode geometry but with the same power dissipated in the plasma. The density profiles of the biomedically active NO and O species throughout the plasma jet, previously obtained by laser diagnostics, are calculated by means of a zero-dimensional semi-empirical reaction kinetics model. A good agreement between the calculated and measured data is demonstrated. Furthermore, the most probable spatial power distribution in an RF driven plasma jet is obtained for the first time by comparing measured and calculated species density profiles. This was possible due to the strong effect of the power distribution on the NO and O density profiles. In addition the dominant reaction pathways for both the NO and the O species are identified. The model allows us to obtain key information on the reactive species production inside the jet, which is difficult to access by laser diagnostics in a coaxial geometry. Finally, we demonstrate that water impurities in the order of 100 ppm in the gas feed can have a significant effect on the spatial distribution of the NO and O density.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Bristol Editor
  Language Wos 000339081400006 Publication Date 2014-06-24
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN (down) 1367-2630; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.786 Times cited 34 Open Access
  Notes Approved Most recent IF: 3.786; 2014 IF: 3.558
  Call Number UA @ lucian @ c:irua:117946 Serial 2392
Permanent link to this record
 

 
Author Jiang, W.; Zhang, Y.; Bogaerts, A.
  Title Numerical characterization of local electrical breakdown in sub-micrometer metallized film capacitors Type A1 Journal article
  Year 2014 Publication New journal of physics Abbreviated Journal New J Phys
  Volume 16 Issue Pages 113036
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract In metallized film capacitors, there exists an air gap of about 0.2 μm between the films, with a pressure ranging generally from 130 atm. Because of the created potential difference between the two films, a microdischarge is formed in this gap. In this paper, we use an implicit particle-in-cell Monte Carlo collision simulation method to study the discharge properties in this direct-current microdischarge with 0.2 μm gap in a range of different voltages and pressures. The discharge process is significantly different from a conventional high pressure discharge. Indeed, the high electric field due to the small gap sustains the discharge by field emission. At low applied voltage (~15 V), only the electrons are generated by field emission, while both electrons and ions are generated as a stable glow discharge at medium applied voltage (~50 V). At still higher applied voltage (~100 V), the number of electrons and ions rapidly multiplies, the electric field reverses, and the discharge changes from a glow to an arc regime.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Bristol Editor
  Language Wos 000346763400006 Publication Date 2014-11-15
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN (down) 1367-2630; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.786 Times cited Open Access
  Notes Approved Most recent IF: 3.786; 2014 IF: 3.558
  Call Number UA @ lucian @ c:irua:120455 Serial 2393
Permanent link to this record
 

 
Author Matuszewski, K.; Matysiak, H.; Jaroszewicz, J.; de Nolf, W.; Kubiak, K.; Kurzydlowski, K.J.
  Title Influence of Bridgman process conditions on microstructure and porosity of single crystal Ni-base superalloy CMSX-4 Type A1 Journal article
  Year 2014 Publication International journal of cast metals research Abbreviated Journal
  Volume 27 Issue 6 Pages 329-335
  Keywords A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
  Abstract Synchrotron radiation micro-X-ray fluorescence and micro-X-ray diffraction analysis, micro-computed tomography and transmission electron microscopy were used to investigate the microstructure of turbine blades made of a second generation nickel based superalloy CMSX-4 manufactured by investment casting process via Bridgman technique. The dependence of microstructure on process parameters, among others, on the withdrawal rate was analysed. The results set the stage for optimising the microstructure of the blades in terms of their mechanical properties.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000346143500002 Publication Date 2014-04-14
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN (down) 1364-0461 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited Open Access
  Notes Approved no
  Call Number UA @ admin @ c:irua:122745 Serial 8089
Permanent link to this record
 

 
Author Yin, S.; Tian, H.; Ren, Z.; Wei, X.; Chao, C.; Pei, J.; Li, X.; Xu, G.; Shen, G.; Han, G.
  Title Octahedral-shaped perovskite nanocrystals and their visible-light photocatalytic activity Type A1 Journal article
  Year 2014 Publication Chemical communications Abbreviated Journal Chem Commun
  Volume 50 Issue 45 Pages 6027-6030
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Octahedral-shaped perovskite PbTiO3 nanocrystals (PT OCT) with well-defined {111} facets exposed have been successfully synthesized via a facile hydrothermal method by using LiNO3 as an ion surfactant. The Li-O bond on the surface of PT OCT nanocrystals is essential to the stability of such nanocrystals and also results in a dramatic high visible-light photocatalytic activity.
  Address
  Corporate Author Thesis
  Publisher Place of Publication London Editor
  Language Wos 000335984700022 Publication Date 2014-04-15
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN (down) 1359-7345;1364-548X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 6.319 Times cited 19 Open Access
  Notes Approved Most recent IF: 6.319; 2014 IF: 6.834
  Call Number UA @ lucian @ c:irua:117690 Serial 2428
Permanent link to this record
 

 
Author Hadad, C.; Ke, X.; Carraro, M.; Sartorel, A.; Bittencourt, C.; Van Tendeloo, G.; Bonchio, M.; Quintana, M.; Prato, M.
  Title Positive graphene by chemical design : tuning supramolecular strategies for functional surfaces Type A1 Journal article
  Year 2014 Publication Chemical communications Abbreviated Journal Chem Commun
  Volume 50 Issue 7 Pages 885-887
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract A diazonium based-arylation reaction was efficiently used for the covalent addition of 4-amino-N,N,N-trimethylbenzene ammonium to stable dispersions of few layer graphene (FLG) yielding an innovative FLG platform with positive charges to immobilize inorganic polyanions.
  Address
  Corporate Author Thesis
  Publisher Place of Publication London Editor
  Language Wos 000328884500036 Publication Date 2013-11-08
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN (down) 1359-7345;1364-548X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 6.319 Times cited 19 Open Access
  Notes Approved Most recent IF: 6.319; 2014 IF: 6.834
  Call Number UA @ lucian @ c:irua:113733 Serial 2678
Permanent link to this record
 

 
Author Rodríguez-Fernández, D.; Altantzis, T.; Heidari, H.; Bals, S.; Liz-Marzan, L.M.
  Title A protecting group approach toward synthesis of Au-silica Janus nanostars Type A1 Journal article
  Year 2014 Publication Chemical communications Abbreviated Journal Chem Commun
  Volume 50 Issue 1 Pages 79-81
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract The concept of protecting groups, widely used in organic chemistry, has been applied for the synthesis of Au-silica Janus stars, in which gold branches protrude from one half of Au-silica Janus spheres. This configuration opens up new possibilities to apply the plasmonic properties of gold nanostars, as well as a variety of chemical functionalizations on the silica component.
  Address
  Corporate Author Thesis
  Publisher Place of Publication London Editor
  Language Wos 000327606000017 Publication Date 2013-10-22
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN (down) 1359-7345;1364-548X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 6.319 Times cited 26 Open Access OpenAccess
  Notes 262348 Esmi; 335078 Colouratom; 267867 Plasmaquo; ECAS_Sara; (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); Approved Most recent IF: 6.319; 2014 IF: 6.834
  Call Number UA @ lucian @ c:irua:112774 Serial 2732
Permanent link to this record
 

 
Author Li, K.; Béché, A.; Song, M.; Sha, G.; Lu, X.; Zhang, K.; Du, Y.; Ringer, S.P.; Schryvers, D.
  Title Atomistic structure of Cu-containing \beta" precipitates in an Al-Mg-Si-Cu alloy Type A1 Journal article
  Year 2014 Publication Scripta materialia Abbreviated Journal Scripta Mater
  Volume 75 Issue Pages 86-89
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract The beta '' precipitates in a peak-aged Al-Mg-Si-Cu alloy were measured with an average composition of 28.6Al-38.7Mg-26.5Si-5.17Cu (at.%) using atom probe tomography. High-angle annular dark-field observations revealed that Cu incompletely substitutes for the Mg-1 and Si-3 columns, preferentially for one column in each pair of Si-3. Cu-free Si columns form a parallelogram-shaped network that constitutes the basis of subsequent precipitates in the system, with a = 0.37 nm, b = 0.38 nm, gamma = 113 degrees and c = 0.405 nm. (C) 2013 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Oxford Editor
  Language Wos 000331025200022 Publication Date 2013-12-07
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN (down) 1359-6462; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.747 Times cited 22 Open Access
  Notes Approved Most recent IF: 3.747; 2014 IF: 3.224
  Call Number UA @ lucian @ c:irua:115749 Serial 201
Permanent link to this record
 

 
Author Wang, X.; Li, K.; Schryvers, D.; Verlinden, B.; Van Humbeeck, J.
  Title R-phase transition and related mechanical properties controlled by low-temperature aging treatment in a Ti50.8 at.% Ni thin wire Type A1 Journal article
  Year 2014 Publication Scripta materialia Abbreviated Journal Scripta Mater
  Volume 72-73 Issue Pages 21-24
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract A cold-drawn Ti50.8 at.% Ni wire was annealed at 600 °C for 30 min, followed by aging at 250 °C for different times. A microstructure with small grains and nanoscaled precipitates was obtained. The thermally induced martensite transformation is suppressed in the samples aged for 4 h or longer, leaving a one-stage R-phase transition between −150 and +150 °C. The transformation behavior, work output and recovery stress associated with the R-phase transition are presented.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Oxford Editor
  Language Wos 000329148500006 Publication Date 2013-10-17
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN (down) 1359-6462; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.747 Times cited 27 Open Access
  Notes Fwo Approved Most recent IF: 3.747; 2014 IF: 3.224
  Call Number UA @ lucian @ c:irua:111847 Serial 2806
Permanent link to this record
 

 
Author Shi, H.; Frenzel, J.; Martinez, G.T.; Van Rompaey, S.; Bakulin, A.; Kulkova, A.; Van Aert, S.; Schryvers, D.
  Title Site occupation of Nb atoms in ternary Ni-Ti-Nb shape memory alloys Type A1 Journal article
  Year 2014 Publication Acta materialia Abbreviated Journal Acta Mater
  Volume 74 Issue Pages 85-95
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract Nb occupancy in the austenite B2-NiTi matrix and Ti2Ni phase in NiTiNb shape memory alloys was investigated by aberration-corrected scanning transmission electron microscopy and precession electron diffraction. In both cases, Nb atoms were found to prefer to occupy the Ti rather than Ni sites. A projector augmented wave method within density functional theory was used to calculate the atomic and electronic structures of the austenitic B2-NiTi matrix phase and the Ti2Ni precipitates both with and without addition of Nb. The obtained formation energies and analysis of structural and electronic characteristics explain the preference for Ti sites for Nb over Ni sites.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Oxford Editor
  Language Wos 000338621400009 Publication Date 2014-05-08
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN (down) 1359-6454; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 5.301 Times cited 21 Open Access
  Notes Approved Most recent IF: 5.301; 2014 IF: 4.465
  Call Number UA @ lucian @ c:irua:118334 Serial 3028
Permanent link to this record
 

 
Author García, J.H.; Uchoa, B.; Covaci, L.; Rappoport, T.G.
  Title Adatoms and Anderson localization in graphene Type A1 Journal article
  Year 2014 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 90 Issue 8 Pages 085425
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract We address the nature of the disordered state that results from the adsorption of adatoms in graphene. For adatoms that sit at the center of the honeycomb plaquette, as in the case of most transition metals, we show that the ones that form a zero-energy resonant state lead to Anderson localization in the vicinity of the Dirac point. Among those, we show that there is a symmetry class of adatoms where Anderson localization is suppressed, leading to an exotic metallic state with large and rare charge droplets, that localizes only at the Dirac point. We identify the experimental conditions for the observation of the Anderson transition for adatoms in graphene.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000341238600004 Publication Date 2014-08-22
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN (down) 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.836 Times cited 12 Open Access
  Notes ; We acknowledge F. Guinea, K. Mullen, A. H. Castro Neto, and E. Mucciolo for discussions. B. U. acknowledges the University of Oklahoma for financial support and NSF Grant No. DMR-1352604 for partial support. T.G.R. and J.H.G acknowledge Brazilian agencies CNPq, FAPERJ, and “INCT de nanoestruturas de carbono” for financial support. ; Approved Most recent IF: 3.836; 2014 IF: 3.736
  Call Number UA @ lucian @ c:irua:119258 Serial 57
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Author Prodi, A.; Daoud-Aladine, A.; Gozzo, F.; Schmitt, B.; Lebedev, O.; Van Tendeloo, G.; Gilioli, E.; Bolzoni, F.; Aruga-Katori, H.; Takagi, H.; Marezio, M.; Gauzzi, A.;
  Title Commensurate structural modulation in the charge- and orbitally ordered phase of the quadruple perovskite (NaMn3)Mn4O12 Type A1 Journal article
  Year 2014 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 90 Issue 18 Pages 180101
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract By means of synchrotron x-ray and electron diffraction, we studied the structural changes at the charge order transition T-CO = 176 K in the mixed-valence quadruple perovskite (NaMn3)Mn4O12. Below T-CO we find satellite peaks indicating a commensurate structural modulation with the same propagation vector q = ( 1/2,0,-1/2) of the CE magnetic structure that orders at low temperatures, similarly to the case of simple perovskites such as La0.5Ca0.5MnO3. In the present case, the modulated structure, together with the observation of a large entropy change at T-CO, gives evidence of a rare case of full Mn3+/Mn4+ charge and orbital order, consistent with the Goodenough-Kanamori model.
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  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000344915100001 Publication Date 2014-11-10
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN (down) 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.836 Times cited 11 Open Access
  Notes Approved Most recent IF: 3.836; 2014 IF: 3.736
  Call Number UA @ lucian @ c:irua:122097 Serial 406
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Author Vagov, A.; Glaessl, M.; Croitoru, M.D.; Axt, V.M.; Kuhn, T.
  Title Competition between pure dephasing and photon losses in the dynamics of a dot-cavity system Type A1 Journal article
  Year 2014 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 90 Issue 7 Pages 075309
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract We demonstrate that in quantum-dot cavity systems, the interplay between acoustic phonons and photon losses introduces novel features and characteristic dependencies in the system dynamics. In particular, the combined action of both dephasing mechanisms strongly affects the transition from the weak-to the strong-coupling regime as well as the shape of the spectral triplet that represents the quantum-dot occupation in Fourier space. The width of the central peak in the triplet is expected to decrease with rising temperature, while the widths and heights of the side peaks depend nonmonotonically on the dot-cavity coupling.
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  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000341258700002 Publication Date 2014-08-27
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN (down) 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.836 Times cited 11 Open Access
  Notes ; We acknowledge fruitful discussions with A. Nazir which helped us to more clearly formulate the relation between our phenomenological approach and the microscopic theory. M.D.C. further acknowledges Alexander von Humboldt and BELSPO grants for support. Financial support from the Deutsche Forschungsgemeinschaft (Grant No. AX 17/7-1) is also gratefully acknowledged. ; Approved Most recent IF: 3.836; 2014 IF: 3.736
  Call Number UA @ lucian @ c:irua:119257 Serial 437
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Author Çakir, D.; Peeters, F.M.
  Title Dependence of the electronic and transport properties of metal-MoSe2 interfaces on contact structures Type A1 Journal article
  Year 2014 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 89 Issue 24 Pages 245403
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract Transition metal dichalcogenides (TMDs) are considered as promising candidates for next generation of electronic and optoelectronic devices. To make use of these materials, for instance in field effect transistor applications, it is mandatory to know the detailed properties of contacts of such TMDs with metal electrodes. Here, we investigate the role of the contact structure on the electronic and transport properties of metal-MoSe2 interfaces. Two different contact types, namely face and edge contacts, are studied. We consider both low (Sc) and high (Au) work function metals in order to thoroughly elucidate the role of the metal work function and the type of metal. First principles plane wave calculations and transport calculations based on nonequilibrium Green's function formalism reveal that the contact type has a large impact on the electronic and transport properties of metal-MoSe2 interfaces. For the Sc electrode, the Schottky barrier heights are around 0.25 eV for face contact and bigger than 0.6 eV for edge contact. For the Au case, we calculate very similar barrier heights for both contact types with an average value of 0.5 eV. Furthermore, while the face contact is found to be highly advantageous as compared to the edge contact for the Sc electrode, the latter contact becomes a better choice for the Au electrode. Our findings provide guidelines for the fabrication of TMD-based devices.
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  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000336917700004 Publication Date 2014-06-04
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN (down) 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.836 Times cited 39 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 Supercomputer Center (VSC), which is funded by the Hercules foundation. D. C. is supported by a FWO Pegasus-short Marie Curie Fellowship. ; Approved Most recent IF: 3.836; 2014 IF: 3.736
  Call Number UA @ lucian @ c:irua:117750 Serial 644
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Author Berdiyorov, G.; Harrabi, K.; Oktasendra, F.; Gasmi, K.; Mansour, A.I.; Maneval, J.P.; Peeters, F.M.
  Title Dynamics of current-driven phase-slip centers in superconducting strips Type A1 Journal article
  Year 2014 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 90 Issue 5 Pages 054506
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract Phase-slip centers/lines and hot spots are the main mechanisms for dissipation in current-carrying superconducting thin films. The pulsed-current method has recently been shown to be an effective tool in studying the dynamics of phase-slip centers and their evolution to hot spots. We use the time-dependent Ginzburg-Landau theory in the study of the dynamics of the superconducting condensate in superconducting strips under external current and zero external magnetic field. We show that both the flux-flow state (i.e., slow-moving vortices) and the phase-slip line state (i.e., fast-moving vortices) are dynamically stable dissipative units with temperature smaller than the critical one, whereas hot spots, which are localized normal regions where the local temperature exceeds the critical value, expand in time, resulting ultimately in a complete destruction of the condensate. The response time of the system to abrupt switching on of the overcritical current decreases with increasing both the value of the current (at all temperatures) and temperature (for a given value of the applied current). Our results are in good qualitative agreement with experiments we have conducted on Nb thin strips.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000344656700003 Publication Date 2014-08-08
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN (down) 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.836 Times cited 42 Open Access
  Notes ; This work was supported by EU Marie Curie Project No. 253057, the Flemish Science Foundation (FWO-Vl), and King Fahd University of Petroleum and Minerals, Saudi Arabia, under the IN131034 DSR project. ; Approved Most recent IF: 3.836; 2014 IF: 3.736
  Call Number UA @ lucian @ c:irua:121229 Serial 775
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Author Govaerts, K.; Park, K.; De Beule, C.; Partoens, B.; Lamoen, D.
  Title Effect of Bi bilayers on the topological states of Bi2Se3 : a first-principles study Type A1 Journal article
  Year 2014 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 90 Issue 15 Pages 155124
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
  Abstract Bi2Se3 is a three-dimensional topological insulator which has been extensively studied because it has a single Dirac cone on the surface, inside a relatively large bulk band gap. However, the effect of two-dimensional topological insulator Bi bilayers on the properties of Bi2Se3 and vice versa, has not been explored much. Bi bilayers are often present between the quintuple layers of Bi2Se3, since (Bi2)n(Bi2Se3)m form stable ground-state structures. Moreover, Bi2Se3 is a good substrate for growing ultrathin Bi bilayers. By first-principles techniques, we first show that there is no preferable surface termination by either Bi or Se. Next, we investigate the electronic structure of Bi bilayers on top of, or inside a Bi2Se3 slab. If the Bi bilayers are on top, we observe a charge transfer to the quintuple layers that increases the binding energy of the surface Dirac cones. The extra states, originating from the Bi bilayers, were declared to form a topological Dirac cone, but here we show that these are ordinary Rashba-split states. This result, together with the appearance of a new Dirac cone that is localized slightly deeper, might necessitate the reinterpretation of several experimental results. When the Bi bilayers are located inside the Bi2Se3 slab, they tend to split the slab into two topological insulators with clear surface states. Interface states can also be observed, but an energy gap persists because of strong coupling between the neighboring quintuple layers and the Bi bilayers.
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  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000343773200001 Publication Date 2014-10-20
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN (down) 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.836 Times cited 30 Open Access
  Notes ; We gratefully acknowledge financial support from the Research Foundation – Flanders (FWO-Vlaanderen). K.G. thanks the University of Antwerp for a Ph.D. fellowship. C.D.B. is an aspirant of the Flemish Science Foundation. This work was carried out using the HPC infrastructure at the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Center VSC, supported financially by the Hercules Foundation and the Flemish Government (EWI Department). K.P. was supported by U.S. National Science Foundation Grant No. DMR-1206354. ; Approved Most recent IF: 3.836; 2014 IF: 3.736
  Call Number UA @ lucian @ c:irua:119527 Serial 800
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Author Zhang, S.H.; Xu, W.; Peeters, F.M.; Badalyan, S.M.
  Title Electron energy and temperature relaxation in graphene on a piezoelectric substrate Type A1 Journal article
  Year 2014 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 89 Issue 19 Pages 195409
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract We study the energy and temperature relaxation of electrons in graphene on a piezoelectric substrate. Scattering from the combined potential of extrinsic piezoelectric surface acoustical (PA) phonons of the substrate and intrinsic deformation acoustical phonons of graphene is considered for a (non) degenerate gas of Dirac fermions. It is shown that in the regime of low energies or temperatures the PA phonons dominate the relaxation and change qualitatively its character. This prediction is relevant for quantum metrology and electronic applications using graphene devices and suggests an experimental setup for probing electron-phonon coupling in graphene.
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  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000336000400008 Publication Date 2014-05-09
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN (down) 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.836 Times cited 18 Open Access
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem program of the Flemish government. ; Approved Most recent IF: 3.836; 2014 IF: 3.736
  Call Number UA @ lucian @ c:irua:117675 Serial 928
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Author Horzum, S.; Çakir, D.; Suh, J.; Tongay, S.; Huang, Y.-S.; Ho, C.-H.; Wu, J.; Sahin, H.; Peeters, F.M.
  Title Formation and stability of point defects in monolayer rhenium disulfide Type A1 Journal article
  Year 2014 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 89 Issue 15 Pages 155433
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract Recently, rhenium disulfide (ReS2) monolayers were experimentally extracted by conventional mechanical exfoliation technique from as-grown ReS2 crystals. Unlike the well-known members of transition metal dichalcogenides (TMDs), ReS2 crystallizes in a stable distorted-1T structure and lacks an indirect to direct gap crossover. Here we present an experimental and theoretical study of the formation, energetics, and stability of the most prominent lattice defects in monolayer ReS2. Experimentally, irradiation with 3-MeV He+2 ions was used to break the strong covalent bonds in ReS2 flakes. Photoluminescence measurements showed that the luminescence from monolayers is mostly unchanged after highly energetic a particle irradiation. In order to understand the energetics of possible vacancies in ReS2 we performed systematic first-principles calculations. Our calculations revealed that the formation of a single sulfur vacancy has the lowest formation energy in both Re and S rich conditions and a random distribution of such defects are energetically more preferable. Sulfur point defects do not result in any spin polarization whereas the creation of Re-containing point defects induce magnetization with a net magnetic moment of 1-3 mu B. Experimentally observed easy formation of sulfur vacancies is in good agreement with first-principles calculations.
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  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000337301200009 Publication Date 2014-04-28
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN (down) 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.836 Times cited 130 Open Access
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl), the bilateral project FWO-TUBITAK, and the Methusalem Foundation of the Flemish government. Computational resources were provided by TUBITAK ULAK-BIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H. S. was supported by a FWO Pegasus Long Marie Curie Fellowship. D. C. was supported by a FWO Pegasus-short Marie Curie Fellowship. ; Approved Most recent IF: 3.836; 2014 IF: 3.736
  Call Number UA @ lucian @ c:irua:118410 Serial 1250
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Author Galvan-Moya, J.E.; Misko, V.R.; Peeters, F.M.
  Title Generic ordering of structural transitions in quasi-one-dimensional Wigner crystals Type A1 Journal article
  Year 2014 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 90 Issue 9 Pages 094111
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract We investigate the dependence of the structural phase transitions in an infinite quasi-one-dimensional system of repulsively interacting particles on the profile of the confining channel. Three different functional expressions for the confinement potential related to real experimental systems are used that can be tuned continuously from a parabolic to a hard-wall potential in order to find a thorough understanding of the ordering of the chainlike structure transitions. We resolve the long-standing issue why the most theories predicted a 1-2-4-3-4 sequence of chain configurations with increasing density, while some experiments found the 1-2-3-4 sequence.
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  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000342127000001 Publication Date 2014-09-17
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN (down) 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.836 Times cited 9 Open Access
  Notes ; This work was supported by the Flemish Science Foundation (FWO-VI) and the Odysseus and Methusalem programmes of the Flemish government. Computational resources were provided by HPC infrastructure of the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Center (VSC). ; Approved Most recent IF: 3.836; 2014 IF: 3.736
  Call Number UA @ lucian @ c:irua:119904 Serial 1326
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Author da Costa, D.R.; Chaves, A.; Zarenia, M.; Pereira, J.M.; Farias, G.A.; Peeters, F.M.
  Title Geometry and edge effects on the energy levels of graphene quantum rings : a comparison between tight-binding and simplified Dirac models Type A1 Journal article
  Year 2014 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 89 Issue 7 Pages 075418-12
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract We present a systematic study of the energy spectra of graphene quantum rings having different geometries and edge types in the presence of a perpendicular magnetic field. Results are obtained within the tight-binding (TB) and Dirac models and we discuss which features of the former can be recovered by using the approximations imposed by the latter. Energy levels of graphene quantum rings obtained by diagonalizing the TB Hamiltonian are demonstrated to be strongly dependent on the rings geometry and the microscopical structure of the edges. This makes it difficult to recover those spectra by the existing theories that are based on the continuum (Dirac) model. Nevertheless, our results show that both approaches (i.e., TB and Dirac model) may provide similar results, but only for very specific combinations of ring geometry and edge types. The results obtained by a simplified model describing an infinitely thin circular Dirac ring show good agreement with those obtained for hexagonal and rhombus armchair graphene rings within the TB model. Moreover, we show that the energy levels of a circular quantum ring with an infinite mass boundary condition obtained within the Dirac model agree with those for a ring defined by a ring-shaped staggered potential obtained within the TB model.
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  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000332390000009 Publication Date 2014-02-18
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN (down) 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.836 Times cited 56 Open Access
  Notes ; This work was financially supported by CNPq, under Contract NanoBioEstruturas 555183/2005-0, PRONEX/FUNCAP, CAPES Foundation under the process number BEX 7178/13-1, the Bilateral programme between CNPq and the Flemish Science Foundation (FWO-Vl), and the Brazilian Program Science Without Borders (CsF). ; Approved Most recent IF: 3.836; 2014 IF: 3.736
  Call Number UA @ lucian @ c:irua:115823 Serial 1328
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Author Govaerts, K.; Sluiter, M.H.F.; Partoens, B.; Lamoen, D.
  Title Homologous series of layered structures in binary and ternary Bi-Sb-Te-Se systems : ab initio study Type A1 Journal article
  Year 2014 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 89 Issue 5 Pages 054106-54109
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
  Abstract In order to account explicitly for the existence of long-periodic layered structures and the strong structural relaxations in the most common binary and ternary alloys of the Bi-Sb-Te-Se system, we have developed a one-dimensional cluster expansion (CE) based on first-principles electronic structure calculations, which accounts for the Bi and Sb bilayer formation. Excellent interlayer distances are obtained with a van der Waals density functional. It is shown that a CE solely based on pair interactions is sufficient to provide an accurate description of the ground-state energies of Bi-Sb-Te-Se binary and ternary systems without making the data set of ab initio calculated structures unreasonably large. For the binary alloys A1−xQx (A=Sb, Bi; Q=Te, Se), a ternary CE yields an almost continuous series of (meta)stable structures consisting of consecutive A bilayers next to consecutive A2Q3 for 0<x<0.6. For x>0.6, the binary alloy segregates into pure Q and A2Q3. The Bi-Sb system is described by a quaternary CE and is found to be an ideal solid solution stabilized by entropic effects at T≠0 K but with an ordered structure of alternating Bi and Sb layers for x=0.5 at T=0 K. A quintuple CE is used for the ternary Bi-Sb-Te system, where stable ternary layered compounds with an arbitrary stacking of Sb2Te3, Bi2Te3, and Te-Bi-Te-Sb-Te quintuple units are found, optionally separated by mixed Bi/Sb bilayers. Electronic properties of the stable compounds were studied taking spin-orbit coupling into account.
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  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000332420900001 Publication Date 2014-03-05
  Series Editor Series Title Abbreviated Series Title
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  ISSN (down) 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.836 Times cited 5 Open Access
  Notes Fwo; Hercules Approved Most recent IF: 3.836; 2014 IF: 3.736
  Call Number UA @ lucian @ c:irua:114910 Serial 1487
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Author Shakouri, K.; Vasilopoulos, P.; Vargiamidis, V.; Peeters, F.M.
  Title Integer and half-integer quantum Hall effect in silicene: Influence of an external electric field and impurities Type A1 Journal article
  Year 2014 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 90 Issue 23 Pages 235423
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract The influence of silicene's strong spin-orbit interaction and of an external electric field E-z on the transport coefficients are investigated in the presence of a perpendicular magnetic field B. For finite E-z the spin and valley degeneracy of the Landau levels is lifted and leads to additional plateaus in the Hall conductivity, at half-integer values of 4e(2)/h, due to spin intra-Landau-level transitions that are absent in graphene. These plateaus are more sensitive to disorder and thermal broadening than the main plateaus, occurring at integral values of 4e(2)/h, when the Fermi level passes through the Landau levels. We also evaluate the Hall and longitudinal resistivities and critically contrast the results with those for graphene on a substrate.
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  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000346377400004 Publication Date 2014-12-15
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN (down) 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.836 Times cited 32 Open Access
  Notes ; Our work was supported by the Flemish Science Foundation (FWO-VI), the Methusalem Foundation of the Flemish Government, and the Canadian NSERC Grant No. OGP0121756. ; Approved Most recent IF: 3.836; 2014 IF: 3.736
  Call Number UA @ lucian @ c:irua:122771 Serial 1678
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