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Author Vanherck, J.; Bacaksiz, C.; Sorée, B.; Milošević, M.V.; Magnus, W.
Title (up) 2D ferromagnetism at finite temperatures under quantum scrutiny Type A1 Journal article
Year 2020 Publication Applied Physics Letters Abbreviated Journal Appl Phys Lett
Volume 117 Issue 5 Pages 052401
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Recent years have seen a tremendous rise of two-dimensional (2D) magnetic materials, several of which were verified experimentally. However, most of the theoretical predictions to date rely on ab initio methods, at zero temperature and fluctuation-free, while one certainly expects detrimental quantum fluctuations at finite temperatures. Here, we present the solution of the quantum Heisenberg model for honeycomb/hexagonal lattices with anisotropic exchange interaction up to third nearest neighbors and in an applied field in arbitrary direction, which answers the question whether long-range magnetization can indeed survive in the ultrathin limit of materials, up to which temperature, and what the characteristic excitation (magnon) frequencies are, all essential to envisaged applications of magnetic 2D materials. We find that long-range magnetic order persists at finite temperature for materials with overall easy-axis anisotropy. We validate the calculations on the examples of monolayers CrI3, CrBr3, and MnSe2. Moreover, we provide an easy-to-use tool to calculate Curie temperatures of new 2D computational materials.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000559330100001 Publication Date 2020-08-03
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0003-6951; 1077-3118 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4 Times cited 8 Open Access
Notes ; This work was supported by the Research Foundation-Flanders (FWO) and the special research funds of the University of Antwerp (BOF-UA). ; Approved Most recent IF: 4; 2020 IF: 3.411
Call Number UA @ admin @ c:irua:171176 Serial 6445
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Author Albrecht, W.; Arslan Irmak, E.; Altantzis, T.; Pedrazo‐Tardajos, A.; Skorikov, A.; Deng, T.‐S.; van der Hoeven, J.E.S.; van Blaaderen, A.; Van Aert, S.; Bals, S.
Title (up) 3D Atomic‐Scale Dynamics of Laser‐Light‐Induced Restructuring of Nanoparticles Unraveled by Electron Tomography Type A1 Journal article
Year 2021 Publication Advanced Materials Abbreviated Journal Adv Mater
Volume Issue Pages 2100972
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Applied Electrochemistry & Catalysis (ELCAT)
Abstract Understanding light–matter interactions in nanomaterials is crucial for

optoelectronic, photonic, and plasmonic applications. Specifically, metal

nanoparticles (NPs) strongly interact with light and can undergo shape

transformations, fragmentation and ablation upon (pulsed) laser excitation.

Despite being vital for technological applications, experimental insight into

the underlying atomistic processes is still lacking due to the complexity of

such measurements. Herein, atomic resolution electron tomography is performed

on the same mesoporous-silica-coated gold nanorod, before and after

femtosecond laser irradiation, to assess the missing information. Combined

with molecular dynamics (MD) simulations based on the experimentally

determined 3D atomic-scale morphology, the complex atomistic rearrangements,

causing shape deformations and defect generation, are unraveled.

These rearrangements are simultaneously driven by surface diffusion, facet

restructuring, and strain formation, and are influenced by subtleties in the

atomic distribution at the surface.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000671662000001 Publication Date 2021-07-11
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0935-9648 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 19.791 Times cited 8 Open Access OpenAccess
Notes W.A. and E.A.I. contributed equally to this work. The authors acknowledge funding from the European Research Council under the European Union’s Horizon 2020 research and innovation program (ERC Consolidator Grants No. 815128 – REALNANO and No. 770887 – PICOMETRICS), the European Union’s Seventh Framework Programme (ERC Advanced Grant No. 291667 – HierarSACol), and the European Commission (EUSMI). W.A. acknowledges an Individual Fellowship funded by the Marie Sklodowska-Curie Actions (MSCA) in the Horizon2020 program (Grant 797153, SOPMEN). T.-S.D. acknowledges financial support from the National Science Foundation of China (NSFC, Grant No. 61905056). The authors also acknowledge financial support by the Research Foundation Flanders (FWO Grant G.0267.18N).; sygmaSB Approved Most recent IF: 19.791
Call Number EMAT @ emat @c:irua:179781 Serial 6805
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Author Nematollahi, P.; Neyts, E.C.
Title (up) A comparative DFT study on CO oxidation reaction over Si-doped BC2N nanosheet and nanotube Type A1 Journal article
Year 2018 Publication Applied surface science Abbreviated Journal Appl Surf Sci
Volume 439 Issue 439 Pages 934-945
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract In this study, we performed density functional theory (DFT) calculations to investigate different reaction mechanisms of CO oxidation catalyzed by the Si atom embedded defective BC2N nanostructures as well as the analysis of the structural and electronic properties. The structures of all the complexes are optimized and characterized by frequency calculations at the M062X/6-31G* computational level. Also, The electronic structures and thermodynamic parameters of adsorbed CO and O-2 molecules over Si-doped BC2N nanostructures are examined in detail. Moreover, to investigate the curvature effect on the CO oxidation reaction, all the adsorption and CO oxidation reactions on a finite-sized armchair (6,6) Si-BC2NNT are also studied. Our results indicate that there can be two possible pathways for the CO oxidation with O-2 molecule: O-2(g) + CO(g) -> O-2(ads) + CO(ads) -> CO2(g) + O-(ads) and O-(ads) + CO(g) -> CO2(g). The first reaction proceeds via the Langmuir-Hinshelwood (LH) mechanism while the second goes through the Eley-Rideal (ER) mechanism. On the other hand, by increasing the tube diameter, the energy barrier increases due to the strong adsorption energy of the O-2 molecule which is related to its dissociation over the tube surface. Our calculations indicate that the two step energy barrier of the oxidation reaction over Si-BC2NNS is less than that over the Si-BC2NNT. Hence, Si-BC2NNS may serve as an efficient and highly activated substrate to CO oxidation rather than (4,4) Si-BC2NNT. (C) 2018 Elsevier B.V. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000427457100112 Publication Date 2018-01-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0169-4332 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.387 Times cited 8 Open Access Not_Open_Access
Notes Approved Most recent IF: 3.387
Call Number UA @ lucian @ c:irua:150745 Serial 4960
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Author Lepoittevin, C.; Malo, S.; Nguyen, N.; Hebert, S.; Van Tendeloo, G.; Hervieu, M.
Title (up) A layered iron-rich 2234-type with a mixed valence of iron: the ferrimagnetic Tl-doped Fe2(Sr2-\varepsilonTl\varepsilon)Sr3Fe4O14.65 Type A1 Journal article
Year 2008 Publication Chemistry of materials Abbreviated Journal Chem Mater
Volume 20 Issue 20 Pages 6468-6476
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract A new Tl-doped strontium ferrite Fe2(Sr2-Tl)Sr3Fe4O14.65, with an original structure, has been synthesized and structurally characterized by powder X-ray diffraction and transmission electron microscopy. The TGA and Mssbauer studies evidence a mixed valence of iron. The structure exhibits a commensurate modulation, with a F-type subcell a ≈ b ≈ 5.4 Å (≈ ap√2), c ≈ 42 Å with a modulation vector q = αa* with α = 0.4. The supercell parameters have been refined as a= 27.1101(8) Å, b= 5.5187(2) Å and c= 42.0513(9) Å, in the space group Fmmm. The electron diffraction and electron microscopy data of this novel ferrite show that it can be described as a FeTl-2234-type structure corresponding to the intergrowth of a quadruple perovskite slice [(SrFeO2.8)4], with a complex rock salt related slice [Fe2(Sr2-Tl)O3.4]∞, built up of one double iron layer [Fe2O2.4] sandwiched between two [SrO] layers. The HRTEM images show that the oxygen atoms and vacancies are randomly distributed in the perovskite layers while the HAADF STEM images evidence the absence of Tl segregation in the matrix. Fe2(Sr2-Tl)Sr3Fe4O14.65 exhibits a very large value of χ (11emu/mol) at 5 K, which remains large at 400 K; the M(H) loop presents a shape characteristic of ferrimagnetism, with a large coercive field of 0.3 T. The value of magnetization saturates at 400 K at 0.68 μB/Fe. At 10 K, the value of magnetization reaches a maximum of 2 μB/Fe. The resistivity presents a semiconducting-like behavior, with ρ 800 Ω·cm at 300 K.
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor
Language Wos 000260254400030 Publication Date 2008-09-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0897-4756;1520-5002; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 9.466 Times cited 8 Open Access
Notes Approved Most recent IF: 9.466; 2008 IF: 5.046
Call Number UA @ lucian @ c:irua:76671 Serial 1804
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Author Chen, X.; Cao, S.; Ikeda, T.; Srivastava, V.; Snyder, G.J.; Schryvers, D.; James, R.D.
Title (up) A weak compatibility condition for precipitation with application to the microstructure of PbTe-Sb2Te3 thermoelectrics Type A1 Journal article
Year 2011 Publication Acta materialia Abbreviated Journal Acta Mater
Volume 59 Issue 15 Pages 6124-6132
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract We propose a weak condition of compatibility between phases applicable to cases exhibiting full or partial coherence and Widmanstätten microstructure. The condition is applied to the study of Sb2Te3 precipitates in a PbTe matrix in a thermoelectric alloy. The weak condition of compatibility predicts elongated precipitates lying on a cone determined by a transformation stretch tensor. Comparison of this cone with the long directions of precipitates determined by a slice-and-view method of scanning electron microscopy combined with focused ion beam sectioning shows good agreement between theory and experiment. A further study of the morphology of precipitates by the Eshelby method suggests that interfacial energy also plays a role and gives an approximate value of interfacial energy per unit area of 250 dyn cm−1.
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Corporate Author Thesis
Publisher Place of Publication Oxford Editor
Language Wos 000294086900026 Publication Date 2011-07-22
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1359-6454; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 5.301 Times cited 8 Open Access
Notes Approved Most recent IF: 5.301; 2011 IF: 3.755
Call Number UA @ lucian @ c:irua:92388 Serial 3911
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Author Nivesanond, K.; Peeters, A.; Lamoen, D.; van Alsenoy, C.
Title (up) Ab initio calculation of the interaction energy in the P2 binding pocket of HIV-1 protease Type A1 Journal article
Year 2005 Publication International Journal Of Quantum Chemistry Abbreviated Journal Int J Quantum Chem
Volume 105 Issue 3 Pages 292-299
Keywords A1 Journal article; Electron Microscopy for Materials Science (EMAT);
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000232232300009 Publication Date 2005-07-18
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0020-7608;1097-461X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.92 Times cited 8 Open Access
Notes Approved Most recent IF: 2.92; 2005 IF: 1.192
Call Number UA @ lucian @ c:irua:54919 Serial 30
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Author Schowalter, M.; Rosenauer, A.; Lamoen, D.; Kruse, P.; Gerthsen, D.
Title (up) Ab initio computation of the mean inner Coulomb potential of wurtzite-type semiconductors and gold Type A1 Journal article
Year 2006 Publication Applied Physics Letters Abbreviated Journal Appl Phys Lett
Volume 88 Issue 23 Pages Artn 232108
Keywords A1 Journal article; Electron Microscopy for Materials Science (EMAT);
Abstract
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000238914500031 Publication Date 2006-06-19
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0003-6951; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.411 Times cited 8 Open Access
Notes Approved Most recent IF: 3.411; 2006 IF: 3.977
Call Number UA @ lucian @ c:irua:60581 Serial 33
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Author Altantzis, T.; Zanaga, D.; Bals, S.
Title (up) Advanced electron tomography of nanoparticle assemblies Type A1 Journal article
Year 2017 Publication Europhysics letters Abbreviated Journal Epl-Europhys Lett
Volume 119 Issue 119 Pages 38001
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Nanoparticle assemblies have attracted enormous scientific interest during the last

years, due to their unique properties compared to those of their building blocks. To understand

the origin of these properties and to establish the connection with their structure, a detailed and

quantitative structural characterization is essential. Transmission electron microscopy has been

widely used to investigate nano-assemblies. However, TEM images only correspond to a twodimensional

projection of a three-dimensional object. Therefore, in order to obtain the necessary

3D structural information electron tomography has to be applied. By means of advanced electron

tomography, both qualitative and quantitative information can be obtained, which can be used

for detailed theoretical studies.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000415019400023 Publication Date 2017-10-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0295-5075 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.957 Times cited 8 Open Access OpenAccess
Notes We would like to thank the colleagues who have contributed to this work over the years, including L. M. Liz- Marzan, M. Grzelczak, A. Sanchez-Iglesias, D. Vanmaekelbergh, M. P. Boneschanscher, W. H. Evers, J. J. Geuchies, B. Goris, A. de Backer, S. van Aert, M.-P. Pileni, Z. Yang, K. J. Batenburg, J. Sijbers, F. Bleichrodt, W. J. Palenstijn, A. van Blaaderen, M. A. van Huis, F. M. Peeters, N. Winckelmans and D. Wang. The authors gratefully acknowledge funding from the Research Foundation Flanders (G.0381.16N, G.036915 G.0374.13 and funding of a postdoctoral grant to TA). SB and DZ acknowledge funding from the European Research Council, ERC grant No. 335078 – Colouratom. (ROMEO:green; preprint:; postprint:can ; pdfversion:cannot); saraecas; ECAS_Sara; Approved Most recent IF: 1.957
Call Number EMAT @ emat @c:irua:146096UA @ admin @ c:irua:146096 Serial 4733
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Author Vandelannoote, R.; Blommaert, W.; Gijbels, R.; van Grieken, R.
Title (up) Analysis of geothermal waters by spark source mass spectrometry Type A3 Journal article
Year 1981 Publication Fresenius' Zeitschrift für analytische Chemie Abbreviated Journal
Volume 309 Issue 4 Pages 291-294
Keywords A3 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract Although the analysis of thermal water by spark-source mass spectrometry (SSMS) is rather timeconsuming, it allows the detection of about 20 elements of geochemical interest down to the ppb-level. A physical preconcentration is proposed in order to collect elements having quite different chemical properties, e.g. alkalis, transition elements, and elements occurring in anionic form. The relative sensitivity factors appear to be rather independent of the salt content of the graphite electrodes. Contrary to neutron activation analysis, SSMS has a quite uniform elemental sensitivity, and allows to determine elements for which neutron activation is not suitable, e.g. Sn and Pb. The precision of SSMS is however by a factor of about 2 worse than that obtained for neutron activation.
Address
Corporate Author Thesis
Publisher Place of Publication München Editor
Language Wos Publication Date 2004-11-15
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0016-1152;1618-2650; ISBN Additional Links UA library record
Impact Factor Times cited 8 Open Access
Notes Approved no
Call Number UA @ lucian @ c:irua:116638 Serial 100
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Author Oleshko, V.P.; Gijbels, R.H.; Jacob, W.A.
Title (up) Analytical electron microscopy of silver halide photographic systems Type A1 Journal article
Year 2000 Publication Micron Abbreviated Journal Micron
Volume 31 Issue Pages 55-95
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000083352100007 Publication Date 2002-07-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0968-4328; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.98 Times cited 8 Open Access
Notes Approved Most recent IF: 1.98; 2000 IF: 1.324
Call Number UA @ lucian @ c:irua:34068 Serial 108
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Author Zhong, Z.; Aveyard, R.; Rieger, B.; Bals, S.; Palenstijn, W.J.; Batenburg, K.J.
Title (up) Automatic correction of nonlinear damping effects in HAADF-STEM tomography for nanomaterials of discrete compositions Type A1 Journal article
Year 2018 Publication Ultramicroscopy Abbreviated Journal Ultramicroscopy
Volume 184 Issue 184 Pages 57-65
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract <script type='text/javascript'>document.write(unpmarked('HAADF-STEM tomography is a common technique for characterizing the three-dimensional morphology of nanomaterials. In conventional tomographic reconstruction algorithms, the image intensity is assumed to be a linear projection of a physical property of the specimen. However, this assumption of linearity is not completely valid due to the nonlinear damping of signal intensities. The nonlinear damping effects increase w.r.t the specimen thickness and lead to so-called \u0022cupping artifacts\u0022, due to a mismatch with the linear model used in the reconstruction algorithm. Moreover, nonlinear damping effects can strongly limit the applicability of advanced reconstruction approaches such as Total Variation Minimization and discrete tomography. In this paper, we propose an algorithm for automatically correcting the nonlinear effects and the subsequent cupping artifacts. It is applicable to samples in which chemical compositions can be segmented based on image gray levels. The correction is realized by iteratively estimating the nonlinear relationship between projection intensity and sample thickness, based on which the projections are linearized. The correction and reconstruction algorithms are tested on simulated and experimental data. (C) 2017 Elsevier B.V. All rights reserved.'));
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000417779800008 Publication Date 2017-10-31
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0304-3991 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.843 Times cited 8 Open Access OpenAccess
Notes ; This research is supported by the Dutch Technology Foundation STW (http:// www.stw.nl/), which is part of the Netherlands Organization for Scientific Research (NWO), and which is partly funded by the Ministry of Economic Affairs, Agriculture and Innovation under project number 13314. Funding from the European Research Council (Starting grant no. COLOURATOMS 335078) is acknowledged by S. Bals. The authors would like to thank Dr. Thomas Altantzis and Dr. Bart Goris for providing the experimental data, and Prof. Dr. Luis M. Liz-Marzan for providing the investigated samples. ; ecas_sara Approved Most recent IF: 2.843
Call Number UA @ lucian @ c:irua:148501UA @ admin @ c:irua:148501 Serial 4867
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Author Kundu, S.; Kundu, P.; Van Tendeloo, G.; Ravishankar, N.
Title (up) Au2Sx/CdS nanorods by cation exchange : mechanistic insights into the competition between cation-exchange and metal ion reduction Type A1 Journal article
Year 2014 Publication Small Abbreviated Journal Small
Volume 10 Issue 19 Pages 3895-3900
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Thumbnail image of graphical abstract It is well known that metals with higher electron affinity like Au tend to undergo reduction rather than cation-exchange. It is experimentally shown that under certain conditions cation-exchange is dominant over reduction. Thermodynamic calculation further consolidates the understanding and paves the way for better predictability of cation-exchange/reduction reactions for other systems.
Address
Corporate Author Thesis
Publisher Place of Publication Weinheim Editor
Language Wos 000344451900011 Publication Date 2014-06-02
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1613-6810; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 8.643 Times cited 8 Open Access
Notes countatoms Approved Most recent IF: 8.643; 2014 IF: 8.368
Call Number UA @ lucian @ c:irua:118010 Serial 3514
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Author Bogaerts, A.; Grozeva, M.
Title (up) Axial non-uniformity of longitudinal hollow cathode discharges for laser applications: numerical modeling and comparison with experiments Type A1 Journal article
Year 2002 Publication Applied physics: B: photo-physics and laser chemistry Abbreviated Journal Appl Phys B-Lasers O
Volume 75 Issue Pages 731-738
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Berlin Editor
Language Wos 000180587100019 Publication Date 2004-03-19
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0946-2171;1432-0649; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.696 Times cited 8 Open Access
Notes Approved Most recent IF: 1.696; 2002 IF: 2.080
Call Number UA @ lucian @ c:irua:44007 Serial 211
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Author Ramos, I.R.O.; Ferreira, W.P.; Munarin, F.F.; Farias, G.A.; Peeters, F.M.
Title (up) Bilayer crystals of charged magnetic dipoles : structure and phonon spectrum Type A1 Journal article
Year 2012 Publication Physical review : E : statistical, nonlinear, and soft matter physics Abbreviated Journal Phys Rev E
Volume 85 Issue 5:1 Pages 051404-051404,12
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We study the structure and phonon spectrum of a two-dimensional bilayer system of classical charged dipoles oriented perpendicular to the plane of the layers for equal density in each layer. This system can be tuned through six different crystalline phases by changing the interlayer separation or the charge and/or dipole moment of the particle. The presence of the charge on the dipole particles is responsible for the nucleation of five staggered phases and a disordered phase which are not found in the magnetic dipole bilayer system. These extra phases are a consequence of the competition between the repulsive Coulomb and the attractive dipole interlayer interaction. We present the phase diagram and determine the order of the phase transitions. The phonon spectrum of the system was calculated within the harmonic approximation, and a nonmonotonic behavior of the phonon spectrum is found as a function of the effective strength of the interparticle interaction. The stability of the different phases is determined.
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication Woodbury (NY) Editor
Language Wos 000304403400002 Publication Date 2012-05-30
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1539-3755;1550-2376; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.366 Times cited 8 Open Access
Notes ; This work was supported by the Brazilian agencies CNPq, CAPES, and FUNCAP (PRONEX grant), the Flemish Science Foundation (FWO-Vl), the bilateral program between Flanders and Brazil, and the CNPq-FWO collaborating project. The authors are grateful to Prof. G. Goldoni for some technical clarifications concerning Ref. [18]. ; Approved Most recent IF: 2.366; 2012 IF: 2.313
Call Number UA @ lucian @ c:irua:98940 Serial 233
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Author van der Snickt, G.; Schalm, O.; Caen, J.; Janssens, K.; Schreiner, M.
Title (up) Blue enamel on sixteenth- and seventeenth-century window glass : deterioration, microstructure, composition and preparation Type A1 Journal article
Year 2006 Publication Studies in conservation Abbreviated Journal Stud Conserv
Volume 51 Issue Pages 212-222
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000241941100006 Publication Date 2014-01-09
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0039-3630; 2047-0584 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 0.578 Times cited 8 Open Access
Notes Approved Most recent IF: 0.578; 2006 IF: 0.609
Call Number UA @ admin @ c:irua:60712 Serial 5492
Permanent link to this record
 

 
Author Verhulst, A.S.; Verreck, D.; Pourghaderi, M.A.; Van de Put, M.; Sorée, B.; Groeseneken, G.; Collaert, N.; Thean, A.V.-Y.
Title (up) Can p-channel tunnel field-effect transistors perform as good as n-channel? Type A1 Journal article
Year 2014 Publication Applied physics letters Abbreviated Journal Appl Phys Lett
Volume 105 Issue 4 Pages 043103
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We show that bulk semiconductor materials do not allow perfectly complementary p- and n-channel tunnel field-effect transistors (TFETs), due to the presence of a heavy-hole band. When tunneling in p-TFETs is oriented towards the gate-dielectric, field-induced quantum confinement results in a highest-energy subband which is heavy-hole like. In direct-bandgap IIIV materials, the most promising TFET materials, phonon-assisted tunneling to this subband degrades the subthreshold swing and leads to at least 10x smaller on-current than the desired ballistic on-current. This is demonstrated with quantum-mechanical predictions for p-TFETs with tunneling orthogonal to the gate, made out of InP, In0.53Ga0.47As, InAs, and a modified version of In0.53Ga0.47As with an artificially increased conduction-band density-of-states. We further show that even if the phonon-assisted current would be negligible, the build-up of a heavy-hole-based inversion layer prevents efficient ballistic tunneling, especially at low supply voltages. For p-TFET, a strongly confined n-i-p or n-p-i-p configuration is therefore recommended, as well as a tensily strained line-tunneling configuration. (C) 2014 AIP Publishing LLC.
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000341152600067 Publication Date 2014-07-30
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0003-6951; 1077-3118 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.411 Times cited 8 Open Access
Notes ; This work was supported by imec's industrial application program. D. Verreck acknowledges the support of a Ph.D. stipend from the Institute for Promotion of Innovation through Science and Technology in Flanders (IWT). ; Approved Most recent IF: 3.411; 2014 IF: 3.302
Call Number UA @ lucian @ c:irua:134433 Serial 4587
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Author Belov, I.; Vermeiren, V.; Paulussen, S.; Bogaerts, A.
Title (up) Carbon dioxide dissociation in a microwave plasma reactor operating in a wide pressure range and different gas inlet configurations Type A1 Journal article
Year 2018 Publication Journal of CO2 utilization Abbreviated Journal J Co2 Util
Volume 24 Issue Pages 386-397
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Microwave (MW) plasmas represent a promising solution for efficient CO2 dissociation. MW discharges are also very versatile and can be sustained at various pressure and gas flow regimes. To identify the most favorable conditions for the further scale-up of the CO2 decomposition reaction, a MW plasma reactor operating in pure CO2 in a wide pressure range (200 mbar–1 bar) is studied. Three different gas flow configurations are explored: a direct, reverse and a vortex regime. The CO2 conversion and energy efficiency drop almost linearly with increasing pressure, regardless of the gas flow regime. The results obtained in the direct flow configuration underline the importance of post-discharge cooling, as the exhaust of the MW plasma reactor in this regime expanded into the vacuum chamber without additional quenching. As a result, this system yields exhaust temperatures of up to 1000 K, which explains the lowest conversion (∼3.5% at 200 mbar and 2% at 1 bar). A post-discharge cooling step is introduced for the reverse gas inlet regime and allows the highest conversion to be achieved (∼38% at 200 mbar and 6.2% at 1 bar, with energy efficiencies of 23% and 3.7%). Finally, a tangential gas inlet is utilized in the vortex configuration to generate a swirl flow pattern. This results in the generation of a stable discharge in a broader range of CO2 flows (15–30 SLM) and the highest energy efficiencies obtained in this study (∼25% at 300 mbar and ∼13% at 1 bar, at conversions of 21% and 12%). The experimental results are complemented with computational fluid dynamics simulations and with the analysis of the latest literature to identify the further research directions.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000428234500045 Publication Date 2018-03-15
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2212-9820 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.292 Times cited 8 Open Access Not_Open_Access: Available from 16.03.2020
Notes The research leading to these results has received funding from the European Union Seventh Framework Programme (FP7-PEOPLE-2013- ITN) under Grant Agreement№606889 (R Approved Most recent IF: 4.292
Call Number PLASMANT @ plasmant @c:irua:150874 Serial 4955
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Author Brosens, F.; Magnus, W.
Title (up) Carrier transport in nanodevices: revisiting the Boltzmann and Wigner distribution functions Type A1 Journal article
Year 2009 Publication Physica status solidi: B: basic research Abbreviated Journal Phys Status Solidi B
Volume 246 Issue 7 Pages 1656-1661
Keywords A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems
Abstract In principle, transport of charged carriers in nanometer sized solid-state devices can be fully characterized once the non-equilibrium distribution function describing the carrier ensemble is known. In this light, we have revisited the Boltzmann and the Wigner distribution functions and the framework in which they emerge from the classical respectively quantum mechanical Liouville equation. We have assessed the method of the characteristic curves as a potential workhorse to solve the time dependent Boltzmann equation for carriers propagating through spatially non-uniform systems, such as nanodevices. In order to validate the proposed solution strategy, we numerically solve the Boltzmann equation for a one-dimensional conductor mimicking the basic features of a biased low-dimensional transistor operating in the on-state. Finally, we propose a computational scheme capable of extending the benefits of the above mentioned solution strategy when it comes to solve the Wigner-Liouville equation.
Address
Corporate Author Thesis
Publisher Place of Publication Berlin Editor
Language Wos 000268659100033 Publication Date 2009-04-22
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0370-1972;1521-3951; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.674 Times cited 8 Open Access
Notes Approved Most recent IF: 1.674; 2009 IF: 1.150
Call Number UA @ lucian @ c:irua:77953 Serial 284
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Author Windels, S.; Diefenhardt, T.; Jain, N.; Marquez, C.; Bals, S.; Schlummer, M.; De Vos, D.E.
Title (up) Catalytic upcycling of PVC waste-derived phthalate esters into safe, hydrogenated plasticizers Type A1 Journal article
Year 2022 Publication Green chemistry : cutting-edge research for a greener sustainable future Abbreviated Journal Green Chem
Volume 24 Issue 2 Pages 754-766
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Recycling of end-of-life polyvinyl chloride (PVC) calls for solutions to deal with the vast amounts of harmful phthalate plasticizers that have historically been incorporated in PVC. Here, we report on the upcycling of such waste-extracted phthalate esters into analogues of the much safer diisononyl 1,2-cyclohexanedicarboxylate plasticizer (DINCH), via a catalytic one-pot (trans)esterification-hydrogenation process. For most of the virgin phthalates, Ru/Al2O3 is a highly effective hydrogenation catalyst, yielding >99% ring-hydrogenated products under mild reaction conditions (0.1 mol% Ru, 80 degrees C, 50 bar H-2). However, applying this reaction to PVC-extracted phthalates proved problematic, (1) as benzyl phthalates are hydrogenolyzed to benzoic acids that inhibit the Ru-catalyst, and (2) because impurities in the plasticizer extract (PVC, sulfur) further retard the hydrogenation. These complications were solved by coupling the hydrogenation to an in situ (trans)esterification with a higher alcohol, and by pretreating the extract with an activated carbon adsorbent. In this way, a real phthalate extract obtained from post-consumer PVC waste was eventually completely (>99%) hydrogenated to phthalate-free, cycloaliphatic plasticizers.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000726865200001 Publication Date 2021-11-30
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1463-9262; 1463-9270 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 9.8 Times cited 8 Open Access Not_Open_Access
Notes This project has received funding from the European Union’s Horizon 2020 Research and Innovation Programme under grant agreement no. 821366 (programma acronym: Circular Flooring). D. E. D. V. thanks FWO for project funding (SBO project S001819N Triple Cycle); N. J. and S. B. acknowledge the financial support from FWO and FNRS (EOS 30489208). Finally, the authors also thank S. Smolders for assistance with the TGA-MS experiments and D. Paredaens for his experimental contribution Approved Most recent IF: 9.8
Call Number UA @ admin @ c:irua:184746 Serial 6958
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Author Robin, I.-C.; Aichele, T.; Bougerol, C.; André, R.; Tatarenko, S.; Bellet-Amalric, E.; van Daele, B.; Van Tendeloo, G.
Title (up) CdSe quantum dot formation: alternative paths to relaxation of a strained CdSe layer and influence of the capping conditions Type A1 Journal article
Year 2007 Publication Nanotechnology Abbreviated Journal Nanotechnology
Volume 18 Issue 26 Pages 265701,1-11
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Bristol Editor
Language Wos 000247103500012 Publication Date 2007-06-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0957-4484;1361-6528; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.44 Times cited 8 Open Access
Notes Approved Most recent IF: 3.44; 2007 IF: 3.310
Call Number UA @ lucian @ c:irua:64756 Serial 303
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Author Setareh, M.; Farnia, M.; Maghari, A.; Bogaerts, A.
Title (up) CF4 decomposition in a low-pressure ICP : influence of applied power and O2 content Type A1 Journal article
Year 2014 Publication Journal of physics: D: applied physics Abbreviated Journal J Phys D Appl Phys
Volume 47 Issue 35 Pages 355205
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract This paper focuses on the investigation of CF4 decomposition in a low-pressure inductively coupled plasma by means of a global model. The influence of O2 on the CF4 decomposition process is studied for conditions used in semiconductor manufacturing processes. The model is applied for different powers and O2 contents ranging between 2% and 98% in the CF4/O2 gas mixture. The model includes the reaction mechanisms in the gas phase coupled with the surface reactions and sticking probabilities of the species at the walls. The calculation results are first compared with experimental results from the literature (for the electron density, temperature and F atom density) at a specific power, in the entire range of CF4/O2 gas mixture ratios, and the obtained agreements indicate the validity of the model. The main products of the gas mixture, obtained from this model, include CO, CO2 and COF2 together with a low fraction of F2. The most effective reactions for the formation and loss of the various species in this process are also determined in detail. Decomposition of CF4 produces mostly CF3 and F radicals. These radicals also contribute to the backward reactions, forming again CF4. This study reveals that the maximum decomposition efficiency of CF4 is achieved at a CF4/O2 ratio equal to 1, at the applied power of 300 W.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000341353800017 Publication Date 2014-08-15
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-3727;1361-6463; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.588 Times cited 8 Open Access
Notes Approved Most recent IF: 2.588; 2014 IF: 2.721
Call Number UA @ lucian @ c:irua:118327 Serial 3521
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Author van der Linden, V.; Schalm, O.; Houbraken, J.; Thomas, M.; Meesdom, E.; Devos, A.; van Dooren, R.; Nieuwdorp, H.; Janssen, E.; Janssens, K.
Title (up) Chemical analysis of 16th to 19th century Limoges School painted enamel objects in three museums of the Low Countries Type A1 Journal article
Year 2010 Publication X-ray spectrometry Abbreviated Journal X-Ray Spectrom
Volume 39 Issue 2 Pages 112-121
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract In this study, the results of analysing of a series of 16th-19th century painted enamel objects of the Limoges School currently in collections in three Dutch and Flemish museums by means of portable and micro x-ray fluorescence analysis (PXRF and µ-XRF) and electron probe micro analysis (EPMA) are presented. The aim of the investigation was the authentication of specific pieces. Therefore, the glass compositions as well as the (glass) colouring agents used by the Limoges' artists were studied as a function of the age of the objects. Due to the evolution of these properties, it is possible to approximately date these objects based on their chemical composition. The complete émail peint collection of the Museum Boijmans-Van Beuningen (Rotterdam, The Netherlands), consisting of 20 émail peint plaques, was analysed with µ-XRF. Quantitative information was obtained by EPMA analysis of 15 enamel fragments of objects from museum and private collections in the Low Countries. PXRF analyses were performed on the painted enamel collection of the Antwerp Vleeshuis Museum (13 objects) and the Mayer van den Bergh Museum (4 objects) and on a set of 18 plaques that were donated to the Boijmans-Van Beuningen Museum by a private collector. The results obtained by means of EPMA, µ-XRF and PXRF proved to be useful in the discrimination of 16th century painted enamel objects from those of the19th century. From a total of 70 objects examined, 2 objects (OM964A and OM993) featured a chemical signature that deviated from the published literature composition and pigment use consistent with its presumed period of manufacture.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000275959400007 Publication Date 2009-08-11
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0049-8246 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.298 Times cited 8 Open Access
Notes ; ; Approved Most recent IF: 1.298; 2010 IF: 1.661
Call Number UA @ admin @ c:irua:82325 Serial 5509
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Author Schattschneider, P.; Löffler, S.; Verbeeck, J.
Title (up) Comment on “Quantized orbital angular momentum transfer and magnetic dichroism in the interaction of electron vortices with matter” Type Editorial
Year 2013 Publication Physical review letters Abbreviated Journal Phys Rev Lett
Volume 110 Issue 18 Pages 189501-189502
Keywords Editorial; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000319019300019 Publication Date 2013-05-02
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0031-9007;1079-7114; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 8.462 Times cited 8 Open Access
Notes Countatoms; Vortex; Esteem2; esteem2jra3 ECASJO; Approved Most recent IF: 8.462; 2013 IF: 7.728
Call Number UA @ lucian @ c:irua:109014UA @ admin @ c:irua:109014 Serial 410
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Author Bogaerts, A.; Gijbels, R.
Title (up) Comprehensive three-dimensional modeling network for a dc glow discharge plasma Type A1 Journal article
Year 1998 Publication Plasma physics reports Abbreviated Journal Plasma Phys Rep+
Volume 24 Issue Pages 573-583
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication New York Editor
Language Wos 000075129800005 Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1063-780x ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 0.984 Times cited 8 Open Access
Notes Approved Most recent IF: 0.984; 1998 IF: 0.444
Call Number UA @ lucian @ c:irua:24123 Serial 452
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Author Bogaerts, A.; de Bleecker, K.; Georgieva, V.; Kolev, I.; Madani, M.; Neyts, E.
Title (up) Computer simulations for processing plasmas Type A1 Journal article
Year 2006 Publication Plasma processes and polymers Abbreviated Journal Plasma Process Polym
Volume 3 Issue 2 Pages 110-119
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Weinheim Editor
Language Wos 000235628300003 Publication Date 2006-02-02
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1612-8850;1612-8869; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.846 Times cited 8 Open Access
Notes Approved Most recent IF: 2.846; 2006 IF: 2.298
Call Number UA @ lucian @ c:irua:56076 Serial 465
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Author Bogaerts, A.; Aghaei, M.; Autrique, D.; Lindner, H.; Chen, Z.; Wendelen, W.
Title (up) Computer simulations of laser ablation, plume expansion and plasma formation Type H1 Book chapter
Year 2011 Publication Abbreviated Journal
Volume Issue Pages 1-10
Keywords H1 Book chapter; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Trans Tech Place of Publication Aedermannsdorf Editor
Language Wos 000292658900001 Publication Date 2011-04-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1662-8985; ISBN 978-3-03785-081-7 Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 8 Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:88340 Serial 470
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Author Compemolle, S.; Pourtois, G.; Sorée, B.; Magnus, W.; Chibotaru, L.F.; Ceulemans, A.
Title (up) Conductance of a copper-nanotube bundle interface: impact of interface geometry and wave-function interference Type A1 Journal article
Year 2008 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 77 Issue 19 Pages 193406,1-4
Keywords A1 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000256971600032 Publication Date 2008-05-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 8 Open Access
Notes Approved Most recent IF: 3.836; 2008 IF: 3.322
Call Number UA @ lucian @ c:irua:70215 Serial 479
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Author Buh, J.; Kabanov, V.; Baranov, V.; Mrzel, A.; Kovic, A.; Mihailovic, D.
Title (up) Control of switching between metastable superconducting states in delta-MoN nanowires Type A1 Journal article
Year 2015 Publication Nature communications Abbreviated Journal Nat Commun
Volume 6 Issue 6 Pages 10250
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract The superconducting state in one-dimensional nanosystems is very delicate. While fluctuations of the phase of the superconducting wave function lead to the spontaneous decay of persistent supercurrents in thin superconducting wires and nanocircuits, discrete phase-slip fluctuations can also lead to more exotic phenomena, such as the appearance of metastable superconducting states in current-bearing wires. Here we show that switching between different metastable superconducting states in d-MoN nanowires can be very effectively manipulated by introducing small amplitude electrical noise. Furthermore, we show that deterministic switching between metastable superconducting states with different numbers of phase-slip centres can be achieved in both directions with small electrical current pulse perturbations of appropriate polarity. The observed current-controlled bi-stability is in remarkable agreement with theoretically predicted trajectories of the system switching between different limit cycle solutions of a model one-dimensional superconductor.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000367576600002 Publication Date 2015-12-21
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2041-1723 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 12.124 Times cited 8 Open Access
Notes ; ; Approved Most recent IF: 12.124; 2015 IF: 11.470
Call Number UA @ lucian @ c:irua:131108 Serial 4156
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Author Hervieu, M.; Michel, C.; Van Tendeloo, G.; Martin, C.; Maignan, A.; Raveau, B.
Title (up) Copper oxycarbonates and mercury based cuprates: structural mechanisms of new superconductors Type A1 Journal article
Year 1994 Publication Physica: C : superconductivity Abbreviated Journal Physica C
Volume 235/240 Issue Pages 25-28
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos A1994QA39000011 Publication Date 2002-10-17
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0921-4534; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 0.942 Times cited 8 Open Access
Notes Approved COMPUTER SCIENCE, INTERDISCIPLINARY 11/104 Q1 # PHYSICS, MATHEMATICAL 1/53 Q1 #
Call Number UA @ lucian @ c:irua:10046 Serial 517
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Author Abakumov, A.M.; d' Hondt, H.; Rossell, M.D.; Tsirlin, A.A.; Gutnikova, O.; Filimonov, D.S.; Schnelle, W.; Rosner, H.; Hadermann, J.; Van Tendeloo, G.; Antipov, E.V.
Title (up) Coupled anion and cation ordering in Sr3RFe4O10.5 (R=Y, Ho, Dy) anion-deficientperovskites Type A1 Journal article
Year 2010 Publication Journal of solid state chemistry Abbreviated Journal J Solid State Chem
Volume 183 Issue 12 Pages 2845-2854
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The Sr3RFe4O10.5 (R=Y, Ho, Dy) anion-deficient perovskites were prepared using a solid-state reaction in evacuated sealed silica tubes. Transmission electron microscopy and 57Fe Mössbauer spectroscopy evidenced a complete A-cations and oxygen vacancies ordering. The structure model was further refined by ab initio structure relaxation, based on density functional theory calculations. The compounds crystallize in a tetragonal a≈2√2ap≈11.3 Å, с≈4сp≈16 Å unit cell (ap: parameter of the perovskite subcell) with the P42/mnm space group. Oxygen vacancies reside in the (FeO5/4□3/4) layers, comprising corner-sharing FeO4 tetrahedra and FeO5 tetragonal pyramids, which are sandwiched between the layers of the FeO6 octahedra. Smaller R atoms occupy the 9-fold coordinated position, whereas the 10-fold coordinated positions are occupied by larger Sr atoms. The Fe sublattice is ordered aniferromagnetically up to at least 500 K, while the rare-earth sublattice remains disordered down to 2 K.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000285431100014 Publication Date 2010-10-02
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-4596; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.299 Times cited 8 Open Access
Notes Approved Most recent IF: 2.299; 2010 IF: 2.261
Call Number UA @ lucian @ c:irua:88071 Serial 533
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