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Author Magnus, W.; Brosens, F. pdf  url
doi  openurl
  Title Occupation numbers in a quantum canonical ensemble : a projection operator approach Type A1 Journal article
  Year 2019 Publication Physica: A : theoretical and statistical physics Abbreviated Journal Physica A  
  Volume 518 Issue 518 Pages 253-264  
  Keywords A1 Journal article; Theory of quantum systems and complex systems; Condensed Matter Theory (CMT)  
  Abstract Recently, we have used a projection operator to fix the number of particles in a second quantization approach in order to deal with the canonical ensemble. Having been applied earlier to handle various problems in nuclear physics that involve fixed particle numbers, the projector formalism was extended to grant access as well to quantum-statistical averages in condensed matter physics, such as particle densities and correlation functions. In this light, the occupation numbers of the subsequent single-particle energy eigenstates are key quantities to be examined. The goal of this paper is (1) to provide a sound extension of the projector formalism directly addressing the occupation numbers as well as the chemical potential, and (2) to demonstrate how the emerging problems related to numerical instability for fermions can be resolved to obtain the canonical statistical quantities for both fermions and bosons. (C) 2018 Elsevier B.V. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000456359200021 Publication Date 2018-11-28  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0378-4371 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor (up) 2.243 Times cited 1 Open Access  
  Notes ; ; Approved Most recent IF: 2.243  
  Call Number UA @ admin @ c:irua:157468 Serial 5223  
Permanent link to this record
 
 
Author Grubova, I.Y.; Surmeneva, M.A.; Huygh, S.; Surmenev, R.A.; Neyts, E.C. pdf  doi
openurl 
  Title Effects of silicon doping on strengthening adhesion at the interface of the hydroxyapatite-titanium biocomposite : a first-principles study Type A1 Journal article
  Year 2019 Publication Computational materials science Abbreviated Journal Comp Mater Sci  
  Volume 159 Issue 159 Pages 228-234  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract In this paper we employ first-principles calculations to investigate the effect of substitutional Si doping in the amorphous calcium-phosphate (a-HAP) structure on the work of adhesion, integral charge transfer, charge density difference and theoretical tensile strengths between an a-HAP coating and amorphous titanium dioxide (a-TiO2) substrate systemically. Our calculations demonstrate that substitution of a P atom by a Si atom in a-HAP (a-Si-HAP) with the creation of OH-vacancies as charge compensation results in a significant increase of the bonding strength of the coating to the substrate. The work of adhesion of the optimized Si-doped interfaces reaches a value of up to -2.52 J m(-2), which is significantly higher than for the stoichiometric a-HAP/a-TiO2. Charge density difference analysis indicates that the dominant interactions at the interface have significant covalent character, and in particular two Ti-O and three Ca-O bonds are formed for a-Si-HAP/a-TiO2 and one Ti-O and three Ca-O bonds for a-HAP/a-TiO2. From the stress-strain curve, the Young's modulus of a-Si-HAP/a-TiO2 is calculated to be about 25% higher than that of the a-HAP/a-TiO2, and the yielding stress is about 2 times greater than that of the undoped model. Our calculations therefore demonstrate that the presence of Si in the a-HAP structure strongly alters not only the bioactivity and resorption rates, but also the mechanical properties of the a-HAP/a-TiO2 interface. The results presented here provide an important theoretical insight into the nature of the chemical bonding at the a-HAP/a-TiO2 interface, and are particularly significant for the practical medical applications of HAP-based biomaterials.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000457856900023 Publication Date 2018-12-18  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0927-0256 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor (up) 2.292 Times cited 1 Open Access Not_Open_Access  
  Notes Approved Most recent IF: 2.292  
  Call Number UA @ admin @ c:irua:157480 Serial 5272  
Permanent link to this record
 
 
Author Volkov, V.V.; Van Tendeloo, G.; van Landuyt, J.; Amelinckx, S.; Busheva, E.E.; Shabunina, G.G.; Aminov, T.G.; Novotortsev, V.M. openurl 
  Title HREM image analysis up to structure determination of SbCrSe3: a new 1D ferromagnet Type A1 Journal article
  Year 1997 Publication Journal of solid state chemistry Abbreviated Journal J Solid State Chem  
  Volume 132 Issue Pages 257-266  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos A1997YE01700005 Publication Date 0000-00-00  
  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 (up) 2.299 Times cited 1 Open Access  
  Notes Approved Most recent IF: 2.299; 1997 IF: 1.486  
  Call Number UA @ lucian @ c:irua:21421 Serial 1500  
Permanent link to this record
 
 
Author Lebedev, O.I.; Caignaert, V.; Raveau, B.; Pop, N.; Gozzo, F.; Van Tendeloo, G.; Pralong, V. pdf  doi
openurl 
  Title HRTEM and neutron diffraction study of LixMo5O17 : from the ribbon (x=5) structure to the rock salt (x=12) structure Type A1 Journal article
  Year 2011 Publication Journal of solid state chemistry Abbreviated Journal J Solid State Chem  
  Volume 184 Issue 4 Pages 790-796  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Structure determination of the fully intercalated phase Li12Mo5O17 and of the deintercalated oxide Li5Mo5O17 has been carried out by electron microscopy and neutron powder diffraction. The reversible topotactic transformation between the ordered rock salt structure of the former and the ribbon structure of the latter (closely related to that of Li4Mo5O17) is explained on the following basis: both structures can be described as strips built up as an assembly of infinite ribbons of MoO6 octahedra that are five octahedra thick, and that differ by slight displacements of the octahedral ribbons. We show that the electrochemical behavior of the LixMo5O17 system is based on two sorts of Li+ sites; those that are located within the strips between the ribbons, and those that are located at the border of the strips. The high rate of Li intercalation in this oxide and its reversibility are discussed in terms of its peculiar structure.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000289597100010 Publication Date 2011-02-12  
  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 (up) 2.299 Times cited 1 Open Access  
  Notes Esteem 026019 Approved Most recent IF: 2.299; 2011 IF: 2.159  
  Call Number UA @ lucian @ c:irua:88646 Serial 1515  
Permanent link to this record
 
 
Author Kopnin, E.M.; Belik, A.A.; Shpanchenko, R.V.; Antipov, E.V.; Izumi, F.; Takayama-Muromachi, E.; Hadermann, J. pdf  doi
openurl 
  Title Synthesis, crystal structure, and magnetic properties of new layered hexagonal perovskite Ba8Ta4Ru8/3Co2/3O24 Type A1 Journal article
  Year 2004 Publication Journal of solid state chemistry Abbreviated Journal J Solid State Chem  
  Volume 177 Issue Pages 3499-3504  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000224465500035 Publication Date 2004-08-13  
  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 (up) 2.299 Times cited 1 Open Access  
  Notes reprint; IUAP V-1 Approved Most recent IF: 2.299; 2004 IF: 1.815  
  Call Number UA @ lucian @ c:irua:49462 Serial 3448  
Permanent link to this record
 
 
Author Fedotov, S.S.; Kuzovchikov, S.M.; Khasanova, N.R.; Drozhzhin, O.A.; Filimonov, D.S.; Karakulina, O.M.; Hadermann, J.; Abakumov, A.M.; Antipov, E.V. pdf  url
doi  openurl
  Title Synthesis, structure and electrochemical properties of LiNaCo0.5Fe0.5PO4F fluoride-phosphate Type A1 Journal article
  Year 2016 Publication Journal of solid state chemistry Abbreviated Journal J Solid State Chem  
  Volume 242 Issue 242 Pages 70-77  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract LiNaCo 0.5 Fe 0.5 PO 4 F fluoride-phosphate was synthesized via conventional solid-state and novel freeze-drying routes. The crystal structure was refined based on neutron powder diffraction (NPD) data and validated by electron diffraction (ED) and high-resolution transmission electron microscopy (HRTEM). The alkali ions are ordered in LiNaCo 0.5 Fe 0.5 PO 4 F and the transition metals jointly occupy the same crystallographic sites. The oxidation state and oxygen coordination environment of the Fe atoms were verified by 57 Fe Mössbauer spectroscopy. Electrochemical tests of the LiNaCo 0.5 Fe 0.5 PO 4 F cathode material demonstrated a reversible activity of the Fe 3+ /Fe 2+ redox couple at the electrode potential near 3.4 V and minor activity of the Co 3+ /Co 2+ redox couple over 5 V vs Li/Li + . The material exhibits a good capacity retention in the 2.4÷4.6 V vs Li/Li + potential range with the delivered discharge capacity of more than 82% (theo.) regarding Fe 3+ /Fe 2+ .  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000383304900010 Publication Date 2016-02-27  
  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 (up) 2.299 Times cited 1 Open Access  
  Notes The authors kindly thank Dr. O. A. Shlyakhtin for the assistance in the freeze-drying synthesis. We are grateful to the Laboratory for Neutron Scattering and Imaging (NLS) at the Paul Scherrer Institut (Villigen, Switzerland) for granting beam time at the HRPT diffractometer and to Dr. D. V. Sheptyakov for the technical support during the experiment. The work was partly supported by Russian Foundation for Basic Research (RFBR grant 13-03-00495a, 14-29-04064 ofim, 16-33-01131 mola), Skoltech Center for Electrochemical Energy Storage and Moscow State University Development Program up to 2020. J. Hadermann, O.M. Karakulina and A.M. Abakumov acknowledge support from FWO under grant G040116N. Approved Most recent IF: 2.299  
  Call Number c:irua:133776 Serial 4075  
Permanent link to this record
 
 
Author Jacques, P.; Verbist, K.; Lapin, J.; Ryelandt, L.; Van Tendeloo, G.; Delannay, F. pdf  doi
openurl 
  Title Critical assessment of the process of growth of a YBa2Cu3O7-\delta layer on Y2BaCuO5 Type A1 Journal article
  Year 1996 Publication Superconductor science and technology Abbreviated Journal Supercond Sci Tech  
  Volume 9 Issue Pages 176-183  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Bristol Editor  
  Language Wos A1996TZ48100008 Publication Date 2002-08-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0953-2048;1361-6668; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor (up) 2.325 Times cited 1 Open Access  
  Notes Approved no  
  Call Number UA @ lucian @ c:irua:15462 Serial 539  
Permanent link to this record
 
 
Author Gkanatsiou, A.; Lioutas, C.B.; Frangis, N.; Polychroniadis, E.K.; Prystawko, P.; Leszczynski, M.; Altantzis, T.; Van Tendeloo, G. url  doi
openurl 
  Title Influence of 4H-SiC substrate miscut on the epitaxy and microstructure of AlGaN/GaN heterostructures Type A1 Journal article
  Year 2019 Publication Materials science in semiconductor processing Abbreviated Journal Mat Sci Semicon Proc  
  Volume 91 Issue Pages 159-166  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract AlGaN/GaN heterostructures were grown on “on-axis” and 2° off (0001) 4H-SiC substrates by metalorganic vapor phase epitaxy (MOVPE). Structural characterization was performed by transmission electron microscopy. The dislocation density, being greater in the on-axis case, is gradually reduced in the GaN layer and is forming

dislocation loops in the lower region. Steps aligned along [11̅00] in the off-axis case give rise to simultaneous defect formation. In the on-axis case, an almost zero density of steps is observed, with the main origin of defects probably being the orientation mismatch at the grain boundaries between the small not fully coalesced AlN grains. V-shaped formations are observed in the AlN nucleation layer, but are more frequent in the off-axis case, probably enhanced by the presence of steps. These V-shaped formations are completely overgrown by the GaN layer, during the subsequent deposition, presenting AlGaN areas in the walls of the defect, indicating an interdiffusion between the layers. Finally, at the AlGaN/GaN heterostructure surface in the on-axis case, V-shapes are observed, with the AlN spacer and AlGaN (21% Al) thickness on relaxed GaN exceeding the critical thickness for relaxation. On the other hand, no relaxation in the form of V-shape creation is observed in the off-axis case, probably due to the smaller AlGaN thickness (less than 21% Al). The AlN spacer layer, grown in between the heterostructure, presents a uniform thickness and clear interfaces.		  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000454537700022 Publication Date 2018-11-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1369-8001 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor (up) 2.359 Times cited 1 Open Access Not_Open_Access  
  Notes Funding: This work was supported by the IKY Fellowships of Excellence for Postgraduate Studies in Greece-SIEMENS Program; the Greek General Secretariat for Research and Technology, contract SAE 013/8–2009SE 01380012; and the JU ENIAC Project LAST POWER Large Area silicon carbide Substrates and heteroepitaxial GaN for POWER device applications [grant number 120218]. Also part of the research leading to these results has received funding from the European Union Seventh Framework Program under Grant Agreement 312483 – ESTEEM2 (Integrated Infrastructure Initiative–I3). T.A. acknowledges financial support from the Research Foundation Flanders (FWO, Belgium) through a post-doctoral grant. Approved Most recent IF: 2.359  
  Call Number EMAT @ emat @UA @ admin @ c:irua:156200 Serial 5149  
Permanent link to this record
 
 
Author Apolinario, S.W.S.; Aguiar, J.A.; Peeters, F.M. url  doi
openurl 
  Title Angular melting scenarios in binary dusty-plasma Coulomb balls : magic versus normal clusters Type A1 Journal article
  Year 2014 Publication Physical review : E : statistical, nonlinear, and soft matter physics Abbreviated Journal Phys Rev E  
  Volume 90 Issue 6 Pages 063113  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Molecular-dynamic simulations were performed in order to investigate the melting processes of isotropically confined binary systems. We considered two species of particles, which differ by their amount of electric charge. A Lindemann type of criterion was used to determine the angular melting temperature. We demonstrate that the magic-to-normal cluster transition can evolve in two distinct ways, that is, through a structural phase transition of the first order or via a smooth transition where an increase of the shells' width leads to a continuous decreasing mechanical stability of the system. Moreover, for large systems, we demonstrate that the internal cluster exerts a minor effect on the mechanical stability of the external shell. Furthermore, we show that highly symmetric configurations, such as those found for multiple ring structures, have large mechanical stability, i.e., high angular melting temperature.  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication Woodbury (NY) Editor  
  Language Wos 000347207000027 Publication Date 2014-12-29  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1539-3755;1550-2376; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor (up) 2.366 Times cited 1 Open Access  
  Notes ; This work was supported by FACEPE (Fundacao de Amparo a Ciencia e Tecnologia do Estado de Pernambuco) Grant No. APQ-1800-1.05/ 12, the bilatera project between CNPq and FWO-VL, and the Flemish Science Foundation (FWO-Vl). ; Approved Most recent IF: 2.366; 2014 IF: 2.288  
  Call Number UA @ lucian @ c:irua:122828 Serial 116  
Permanent link to this record
 
 
Author Peelaers, H.; Partoens, B.; Tatyanenko, D.V.; Peeters, F.M. url  doi
openurl 
  Title Dynamics of scattering on a classical two-dimensional artificial atom Type A1 Journal article
  Year 2007 Publication Physical review : E : statistical physics, plasmas, fluids, and related interdisciplinary topics Abbreviated Journal Phys Rev E  
  Volume 75 Issue 3 Pages 036606,1-8  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract A classical two-dimensional (2D) model for an artificial atom is used to make a numerical exact study of elastic and nonelastic scattering. Interesting differences in the scattering angle distribution between this model and the well-known Rutherford scattering are found in the small energy and/or small impact parameter scattering regime. For scattering off a classical 2D hydrogen atom different phenomena such as ionization, exchange of particles, and inelastic scattering can occur. A scattering regime diagram is constructed as function of the impact parameter (b) and the initial velocity (v) of the incoming particle. In a small regime of the (b,v) space the system exhibits chaos, which is studied in more detail. Analytic expressions for the scattering angle are given in the high impact parameter asymptotic limit.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos 000245324700062 Publication Date 2007-03-14  
  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 (up) 2.366 Times cited 1 Open Access  
  Notes Approved Most recent IF: 2.366; 2007 IF: 2.483  
  Call Number UA @ lucian @ c:irua:64290 Serial 782  
Permanent link to this record
 
 
Author Jain, N.; Hao, Y.; Parekh, U.; Kaltenegger, M.; Pedrazo-Tardajos, A.; Lazzaroni, R.; Resel, R.; Geerts, Y.H.; Bals, S.; Van Aert, S. pdf  url
doi  openurl
  Title Exploring the effects of graphene and temperature in reducing electron beam damage: A TEM and electron diffraction-based quantitative study on Lead Phthalocyanine (PbPc) crystals Type A1 Journal article
  Year 2023 Publication Micron Abbreviated Journal  
  Volume 169 Issue Pages 103444  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract High-resolution transmission electron microscopy (TEM) of organic crystals, such as Lead Phthalocyanine (PbPc), is very challenging since these materials are prone to electron beam damage leading to the breakdown of the crystal structure during investigation. Quantification of the damage is imperative to enable high-resolution imaging of PbPc crystals with minimum structural changes. In this work, we performed a detailed electron diffraction study to quantitatively measure degradation of PbPc crystals upon electron beam irradiation. Our study is based on the quantification of the fading intensity of the spots in the electron diffraction patterns. At various incident dose rates (e/Å2/s) and acceleration voltages, we experimentally extracted the decay rate (1/s), which directly correlates with the rate of beam damage. In this manner, a value for the critical dose (e/Å2) could be determined, which can be used as a measure to quantify beam damage. Using the same methodology, we explored the influence of cryogenic temperatures, graphene TEM substrates, and graphene encapsulation in prolonging the lifetime of the PbPc crystal structure during TEM investigation. The knowledge obtained by diffraction experiments is then translated to real space high-resolution TEM imaging of PbPc.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000965998800001 Publication Date 2023-03-21  
  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 (up) 2.4 Times cited 1 Open Access OpenAccess  
  Notes This work is supported by FWO and FNRS within the 2Dto3D network of the EOS (Excellence of Science) program (grant number 30489208) and ERC-CoGREALNANO-815128 (to Prof. Dr. Sara Bals). N.J. would like to thank Dr. Kunal S. Mali and Dr. Da Wang for useful and interesting discussions on sample preparation procedures. Approved Most recent IF: 2.4; 2023 IF: 1.98  
  Call Number EMAT @ emat @c:irua:196069 Serial 7379  
Permanent link to this record
 
 
Author Faraji, F.; Neek-Amal, M.; Neyts, E.C.; Peeters, F.M. doi  openurl
  Title Cation-controlled permeation of charged polymers through nanocapillaries Type A1 Journal article
  Year 2023 Publication Physical review E Abbreviated Journal Phys Rev E  
  Volume 107 Issue 3 Pages 034501-34510  
  Keywords A1 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Molecular dynamics simulations are used to study the effects of different cations on the permeation of charged polymers through flat capillaries with heights below 2 nm. Interestingly, we found that, despite being monovalent, Li+ , Na+ , and K+ cations have different effects on polymer permeation, which consequently affects their transmission speed throughout those capillaries. We attribute this phenomenon to the interplay of the cations' hydration free energies and the hydrodynamic drag in front of the polymer when it enters the capillary. Different alkali cations exhibit different surface versus bulk preferences in small clusters of water under the influence of an external electric field. This paper presents a tool to control the speed of charged polymers in confined spaces using cations.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000955986000006 Publication Date 2023-03-17  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2470-0053 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor (up) 2.4 Times cited 1 Open Access Not_Open_Access  
  Notes Approved Most recent IF: 2.4; 2023 IF: 2.366  
  Call Number UA @ admin @ c:irua:196089 Serial 7586  
Permanent link to this record
 
 
Author Rozova, M.G.; Grigoriev, V.V.; Tyablikov, O.A.; Filimonov, D.S.; Zakharov, K.V.; Volkova, O.S.; Vasiliev, A.N.; Antipov, E.V.; Abakumov, A.M. pdf  doi
openurl 
  Title Doping of Bi4Fe5O13F with pentagonal Cairo lattice with Cr and Mn: Synthesis, structure and magnetic properties Type A1 Journal article
  Year 2017 Publication Materials research bulletin Abbreviated Journal Mater Res Bull  
  Volume 87 Issue 87 Pages 54-60  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract The substitution of Cr3+ and Mn3+ for Fe3+ in the Bi4Fe6O13F oxyfluoride featuring the magnetically frustrated pentagonal Cairo lattice is reported. Bi4Fe4.1Cr0.9O13F and BiFe4.2Mn0.8O13F have been prepared using a solid state reaction in inert atmosphere. Their crystal structures were studied with transmission electron microscopy, powder X-ray diffraction and Fe-57 Mossbauer spectroscopy (S.G. P4(2)/mbc, a = 8.27836(2)angstrom, c = 18.00330(9) angstrom, R-F = 0.031 (Bi4Fe4.1Cr0.9O13F)), a= 8.29535(3)angstrom, c= 18.0060(1)angstrom, R-F = 0.027 (Bi4Fe4.1Cr0.9O13F)). The structures are formed by infinite rutile-like chains of the edge sharing BO6 octahedra (B transition metal cations) linked by the Fe2O7 groups of two corner-sharing tetrahedra. The"voids in thus formed framework are occupied by the Bi4F tetrahedra. The Fe-57 Mossbauer spectroscopy reveals that Cr3+ and Mn3+ replace Fe3+. exclusively at the octahedral positions. The Mn- and Cr-doped compounds demonstrate antiferromagnetic ordering below T-N =165 K and 120 K, respectively. (C) 2016 Elsevier Ltd. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication New York, N.Y. Editor  
  Language Wos 000392681800009 Publication Date 2016-11-17  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0025-5408 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor (up) 2.446 Times cited 1 Open Access Not_Open_Access  
  Notes ; The work has been supported by the Russian Science Foundation (grant 14-13-00680). ; Approved Most recent IF: 2.446  
  Call Number UA @ lucian @ c:irua:141535 Serial 4498  
Permanent link to this record
 
 
Author Al-Emam, E.; Soenen, H.; Caen, J.; Janssens, K. url  doi
openurl 
  Title Characterization of polyvinyl alcohol-borax/agarose (PVA-B/AG) double network hydrogel utilized for the cleaning of works of art Type A1 Journal article
  Year 2020 Publication Heritage science Abbreviated Journal  
  Volume 8 Issue 1 Pages 106  
  Keywords A1 Journal article; Art; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Cultural Heritage Sciences (ARCHES)  
  Abstract Since cleaning of artworks may cause undesirable physicochemical alterations and is a nonreversible procedure, it is mandatory to adopt the proper cleaning procedure. Such a procedure should remove undesired materials whilst preserving the original surface. In this regard, numerous gels have been developed and exploited for the cleaning of various artwork surfaces. Lately, agarose (AG) and polyvinyl alcohol-borax (PVA-B) hydrogels have been widely employed as cleaning tools by conservators. Both hydrogels show some limitations in specific cleaning practices. In this work, we investigated the influence of including increased levels of agarose into PVA-B systems. For this reason, we performed a detailed characterization on the double network (DN) hydrogel including the chemical structure, the liquid phase retention, the rheological behavior, and the self-healing behavior of various PVA-B/AG double network hydrogels. These new hydrogels revealed better properties than PVA-B hydrogels and obviated their limitations. The inclusion of AG into PVA-B systems enhanced the liquid retention capacity, shape-stability, and mechanical strength of the blend. Furthermore, AG minimized the expelling/syneresis issue that occurs when loading PVA-B systems with low polarity solvents or chelating agents. The resultant double network hydrogel exhibits relevant self-healing properties. The PVA-B/AG double network is a new and useful cleaning tool that can be added to the conservators' tool-kit. It is ideal for cleaning procedures dealing with porous and complex structured surfaces, vertical surfaces and for long time applications.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000580572500001 Publication Date 2020-10-21  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2050-7445 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor (up) 2.5 Times cited 1 Open Access  
  Notes ; Ehab Al-Emam thanks the Egyptian Ministry of Higher Education for funding his Ph.D. scholarship in addition to being grateful to University of Antwerp for additional funding. ; Approved Most recent IF: 2.5; 2020 IF: NA  
  Call Number UA @ admin @ c:irua:173594 Serial 6466  
Permanent link to this record
 
 
Author Tinck, S.; Tillocher, T.; Dussart, R.; Neyts, E.C.; Bogaerts, A. pdf  url
doi  openurl
  Title Elucidating the effects of gas flow rate on an SF6inductively coupled plasma and on the silicon etch rate, by a combined experimental and theoretical investigation Type A1 Journal article
  Year 2016 Publication Journal of physics: D: applied physics Abbreviated Journal J Phys D Appl Phys  
  Volume 49 Issue 49 Pages 385201  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Experiments show that the etch rate of Si with SF6 inductively coupled plasma (ICP) is significantly influenced by the absolute gas flow rate in the range of 50–600 sccm, with a maximum at around 200 sccm. Therefore, we numerically investigate the effects of the gas flow rate on the bulk plasma properties and on the etch rate, to obtain more insight in the underlying reasons of this effect. A hybrid Monte Carlo—fluid model is applied to simulate an SF6 ICP. It is found that the etch rate is influenced by two simultaneous effects: (i) the residence time of the gas and (ii) the temperature profile of the plasma in the ICP volume, resulting indeed in a maximum etch rate at 200 sccm.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000384095900011 Publication Date 2016-08-24  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0022-3727 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor (up) 2.588 Times cited 1 Open Access  
  Notes We are very grateful to Mark Kushner for providing the computational model. The Fund for Scientific Research Flanders (FWO; grant no. 0880.212.840) is acknowledged for financial support of this work. The work was carried out in part using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the University of Antwerp. Approved Most recent IF: 2.588  
  Call Number c:irua:134867 Serial 4108  
Permanent link to this record
 
 
Author Sharp, J.; Mueller, I.C.; Mandal, P.; Abbas, A.; Nord, M.; Doye, A.; Ehiasarian, A.; Hovsepian, P.; MacLaren, I.; Rainforth, W.M. url  doi
openurl 
  Title Characterisation of a high-power impulse magnetron sputtered C/Mo/W wear resistant coating by transmission electron microscopy Type A1 Journal article
  Year 2019 Publication Surface and coatings technology Abbreviated Journal Surf Coat Tech  
  Volume 377 Issue 377 Pages 124853  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Thin films of C/Mo/W deposited using combined UBM/HIPIMS sputtering show 2-8 nm clusters of material richer in Mo and W than the matrix (found by EDS microanalysis), with structures that resemble graphitic onions with the metal atoms arranged regularly within them. EELS microanalysis showed the clusters to be rich in W and Mo. As the time averaged power used in the pulsed HIPIMS magnetron was increased, the clusters became more defined, larger, and arranged into layers with amorphous matrix between them. Films deposited with average HIPIMS powers of 4 kW and 6 kW also showed a periodic modulation of the cluster density within the finer layers giving secondary, wider stripes in TEM. By analysing the ratio between the finer and coarser layers, it was found that this meta-layering is related to the substrate rotation in the deposition chamber but in a non-straightforward way. Reasons for this are proposed. The detailed structure of the clusters remains unknown and is the subject of further work. Fluctuation electron microscopy results indicated the presence of crystal planes with the graphite interlayer spacing, crystal planes in hexagonal WC perpendicular to the basal plane, and some plane spacings found in Mo2C. Other peaks in the FEM results suggested symmetry-related starting points for future determination of the structure of the clusters.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000488417800015 Publication Date 2019-08-03  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0257-8972 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor (up) 2.589 Times cited 1 Open Access  
  Notes ; J.S. thanks the Mercury Centre at the University of Sheffield for funding, which was part funded by the ERDF under grant MERCURY 904467. I.C.M. acknowledges support from CONACyT and RobertoRocca Education Fellowship. We gratefully acknowledge funding from EPSRC for the pixelated STEM detector and the software used in its operation for the fluctuation microscopy (EP/M009963/ 1, EP/K503903/1 & EP/R511705/1). AD was supported by the EPSRC CDT in Integrative Sensing and Measurement, Grant Number EP/L016753/1. Funding sources did not influence the planning or execution of this work except to enable it. ; Approved Most recent IF: 2.589  
  Call Number UA @ admin @ c:irua:163700 Serial 5383  
Permanent link to this record
 
 
Author Verleysen, E.; Bender, H.; Richard, O.; Schryvers, D.; Vandervorst, W. doi  openurl
  Title Compositional characterization of nickel silicides by HAADF-STEM imaging Type A1 Journal article
  Year 2011 Publication Journal of materials science Abbreviated Journal J Mater Sci  
  Volume 46 Issue 7 Pages 2001-2008  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract A methodology for the quantitative compositional characterization of nickel silicides by high angle annular dark field scanning transmission electron microscopy (HAADF-STEM) imaging is presented. HAADF-STEM images of a set of nickel silicide reference samples Ni3Si, Ni31Si12, Ni2Si, NiSi and NiSi2 are taken at identical experimental conditions. The correlation between sample thickness and HAADF-STEM intensity is discussed. In order to quantify the relationship between the experimental Z-contrast intensities and the composition of the analysed layers, the ratio of the HAADF-STEM intensity to the sample thickness or to the intensity of the silicon substrate is determined for each nickel silicide reference sample. Diffraction contrast is still detected on the HAADF-STEM images, even though the detector is set at the largest possible detection angle. The influence on the quantification results of intensity fluctuations caused by diffraction contrast and channelling is examined. The methodology is applied to FUSI gate devices and to horizontal TFET devices with different nickel silicides formed on source, gate and drain. It is shown that, if the elements which are present are known, this methodology allows a fast quantitative 2-dimensional compositional analysis.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000286633000002 Publication Date 2011-01-06  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0022-2461;1573-4803; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor (up) 2.599 Times cited 1 Open Access  
  Notes Approved Most recent IF: 2.599; 2011 IF: 2.015  
  Call Number UA @ lucian @ c:irua:88950 Serial 446  
Permanent link to this record
 
 
Author Ding, L.; Orekhov, A.; Weng, Y.; Jia, Z.; Idrissi, H.; Schryvers, D.; Muraishi, S.; Hao, L.; Liu, Q. pdf  doi
openurl 
  Title Study of the Q′ (Q)-phase precipitation in Al–Mg–Si–Cu alloys by quantification of atomic-resolution transmission electron microscopy images and atom probe tomography Type A1 Journal article
  Year 2019 Publication Journal of materials science Abbreviated Journal J Mater Sci  
  Volume 54 Issue 10 Pages 7943-7952  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract The precipitation mechanism of the Q phase in Al-Mg-Si-Cu alloys has long been the subject of ambiguity and debate since its metastable phase (Q 0) has the same crystal structure and similar lattice parameters as its equilibrium counterparts. In the present work, the evolution of the Q 0 (Q) phase during aging is studied by combination of quantitative atomic-resolution scanning transmission electron microscopy and atom probe tomography. It was found that the transformation from the Q 0 to the Q phase involves changes of the occupancy of Al atoms in atomic columns of the Q 0 (Q) phase. The Al atoms incorporated in the Cu, Si and Mg columns are gradually released into the Al matrix, while mixing between Cu and Si atoms occurs in the Si columns. This transformation process is mainly attributed to the low lattice misfit of the equilibrium Q phase. Besides, the formation of various compositions of the Q phase is due to the different occupancy in the atomic columns of the Q phase. The occupancy changes in the columns of the Q phase are kinetically controlled and are strongly influenced by the alloy composition and aging temperature.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000460069500043 Publication Date 2019-02-14  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0022-2461 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor (up) 2.599 Times cited 1 Open Access Not_Open_Access  
  Notes Special major R & D Projects for Key Technology Innovation of Key Industries in Chongqing, cstc2017zdcy-zdzxX0006 ; Fundamental Research Funds for the Central Universities of China, 2018CDGFCL0002 106112017CDJQJ308822 ; Belgian National Fund for Scientific Research; the National Natural Science Foundation of China, 51871035 ; This work was supported by the Special major R & D Projects for Key Technology Innovation of Key Industries in Chongqing (Grant No. cstc2017zdcyzdzxX0006), the Fundamental Research Funds for the Central Universities of China (Grant No. 2018CDGFCL0002), the National Natural Science Foundation of China (Grant No. 51871035) and the Foundation for Innovative Research Groups J Mater Sci National Natural Science Foundation of China (Grant No. 51421001). H. Idrissi is mandated by the Belgian National Fund for Scientific Research (FSR-FNRS). Approved Most recent IF: 2.599  
  Call Number EMAT @ emat @UA @ admin @ c:irua:158112 Serial 5158  
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Author Monarkha, Y.P.; Peeters, F.M.; Sokolov, S.S. openurl 
  Title Edge excitations of a 2D electron solid in a magnetic field Type A1 Journal article
  Year 1997 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat  
  Volume 9 Issue Pages 1537-1545  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos A1997WK00500016 Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0953-8984 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor (up) 2.649 Times cited 1 Open Access  
  Notes Approved Most recent IF: 2.649; 1997 IF: 1.479  
  Call Number UA @ lucian @ c:irua:19294 Serial 787  
Permanent link to this record
 
 
Author Nasr Esfahani, D.; Covaci, L.; Peeters, F.M. pdf  doi
openurl 
  Title Surface correlation effects in two-band strongly correlated slabs Type A1 Journal article
  Year 2014 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat  
  Volume 26 Issue 7 Pages 075601-75609  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Using an extension of the Gutzwiller approximation for an inhomogeneous system, we study the two-band Hubbard model with unequal band widths for a slab geometry. The aim is to investigate the mutual effect of individual bands on the spatial distribution of quasi-particle weight and charge density, especially near the surface of the slab. The main effect of the difference in band width is the presence of two different length scales corresponding to the quasi-particle profile of each band. This is enhanced in the vicinity of the critical interaction of the narrow band where an orbitally selective Mott transition occurs and a surface dead layer forms for the narrow band. For the doped case, two different regimes of charge transfer between the surface and the bulk of the slab are revealed. The charge transfer from surface/ center to center/ surface depends on both the doping level and the average relative charge accumulated in each band. Such effects could also be of importance when describing the accumulation of charges at the interface between structures made of multi-band strongly correlated materials.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000330719500009 Publication Date 2014-01-29  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0953-8984;1361-648X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor (up) 2.649 Times cited 1 Open Access  
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem program of the Flemish government. One of us (LC) is a postdoctoral fellow of the FWO-Vl. ; Approved Most recent IF: 2.649; 2014 IF: 2.346  
  Call Number UA @ lucian @ c:irua:115723 Serial 3395  
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Author Peelaers, H.; Durgun, E.; Partoens, B.; Bilc, D.I.; Ghosez, P.; Van de Walle, C.G.; Peeters, F.M. pdf  doi
openurl 
  Title Ab initio study of hydrogenic effective mass impurities in Si nanowires Type A1 Journal article
  Year 2017 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat  
  Volume 29 Issue 29 Pages 095303  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The effect of B and P dopants on the band structure of Si nanowires is studied using electronic structure calculations based on density functional theory. At low concentrations a dispersionless band is formed, clearly distinguishable from the valence and conduction bands. Although this band is evidently induced by the dopant impurity, it turns out to have purely Si character. These results can be rigorously analyzed in the framework of effective mass theory. In the process we resolve some common misconceptions about the physics of hydrogenic shallow impurities, which can be more clearly elucidated in the case of nanowires than would be possible for bulk Si. We also show the importance of correctly describing the effect of dielectric confinement, which is not included in traditional electronic structure calculations, by comparing the obtained results with those of G(0)W(0) calculations.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000395103900002 Publication Date 2017-01-06  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0953-8984 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor (up) 2.649 Times cited 1 Open Access  
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl), the NSF MRSEC Program under award No. DMR11-21053, and the Army Research Office (W911NF-13-1-0380). DIB acknowledges financial support from the grant of the Romanian National Authority for Scientific Research, CNCS UEFISCDI, project No. PN-II-RU-TE-2011-3-0085. Ph G acknowledges a research professorship of the Francqui foundation and financial support of the ARC project AIMED and FNRS project HiT4FiT. This research used resources of the Ceci HPC Center funded by F R S-FNRS (Grant No. 2.5020.1) and of the National Energy Research Scientific Computing Center, a DOE Office of Science User Facility supported by the Office of Science of the US Department of Energy under Contract No. DE-AC02-05CH11231. ; Approved Most recent IF: 2.649  
  Call Number UA @ lucian @ c:irua:142447 Serial 4584  
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Author González-García, A.; López-Pérez, W.; González-Hernández, R.; Bacaksiz, C.; Šabani, D.; Milošević, M.V.; Peeters, F.M. url  doi
openurl 
  Title Transition-metal adatoms on 2D-GaAs: a route to chiral magnetic 2D materials by design Type A1 Journal article
  Year 2021 Publication Journal Of Physics-Condensed Matter Abbreviated Journal J Phys-Condens Mat  
  Volume 33 Issue 14 Pages 145803  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Using relativistic density-functional calculations, we examine the magneto-crystalline anisotropy and exchange properties of transition-metal atoms adsorbed on 2D-GaAs. We show that single Mn and Mo atom (Co and Os) strongly bind on 2D-GaAs, and induce local out-of-plane (in-plane) magnetic anisotropy. When a pair of TM atoms is adsorbed on 2D-GaAs in a close range from each other, magnetisation properties change (become tunable) with respect to concentrations and ordering of the adatoms. In all cases, we reveal presence of strong Dzyaloshinskii–Moriya interaction. These results indicate novel pathways towards two-dimensional chiral magnetic materials by design, tailored for desired applications in magneto-electronics.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000626453600001 Publication Date 2021-04-07  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0953-8984 ISBN Additional Links UA library record; WoS full record  
  Impact Factor (up) 2.649 Times cited 1 Open Access OpenAccess  
  Notes Approved Most recent IF: 2.649  
  Call Number CMT @ cmt @c:irua:177483 Serial 6755  
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Author Sabzalipour, A.; Mir, M.; Zarenia, M.; Partoens, B. pdf  doi
openurl 
  Title Charge transport in magnetic topological ultra-thin films : the effect of structural inversion asymmetry Type A1 Journal article
  Year 2021 Publication Journal Of Physics-Condensed Matter Abbreviated Journal J Phys-Condens Mat  
  Volume 33 Issue 32 Pages 325702  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We study the effect of structural inversion asymmetry, induced by the presence of substrates or by external electric fields, on charge transport in magnetic topological ultra-thin films. We consider general orientations of the magnetic impurities. Our results are based on the Boltzmann formalism along with a modified relaxation time scheme. We show that the structural inversion asymmetry enhances the charge transport anisotropy induced by the magnetic impurities and when only one conduction subband contributes to the charge transport a dissipationless charge current is accessible. We demonstrate how a substrate or gate voltage can control the effect of the magnetic impurities on the charge transport, and how this depends on the orientation of the magnetic impurities.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000666698000001 Publication Date 2021-05-28  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0953-8984 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor (up) 2.649 Times cited 1 Open Access Not_Open_Access  
  Notes Approved Most recent IF: 2.649  
  Call Number UA @ admin @ c:irua:179647 Serial 6974  
Permanent link to this record
 
 
Author Ozcan, M.; Ozen, S.; Yagmurcukardes, M.; Sahin, H. pdf  doi
openurl 
  Title Structural, electronic and vibrational properties of ultra-thin octahedrally coordinated structure of EuO2 Type A1 Journal article
  Year 2020 Publication Journal Of Magnetism And Magnetic Materials Abbreviated Journal J Magn Magn Mater  
  Volume 493 Issue 493 Pages 165668  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Novel stable ultra-thin phases of europium oxide are investigated by means of state-of-the-art first principles calculations. Total energy calculations show that single layers of EuO2 and Eu(OH)(2) can be stabilized in an octahedrally coordinated (1T) atomic structure. However, phonon calculations reveal that although both structures are energetically feasible, only the 1T-EuO2 phase has dynamical stability. The phonon spectrum of 1T-EuO2 displays three Raman active modes; a non-degenerate out-of-plane A(1g) mode at 353.5 cm(-1) and two doubly-degenerate in-plane E-g modes at 304.3 cm(-1). Furthermore, magnetic ground state and electronic band dispersion calculations show that the single layer EuO2 is a metal with net magnetic moment of 5(mu B) per unitcell resulting in a half-metallic ferrimagnetic behavior. Moreover, robustness of the half-metallic ferrimagnetic characteristics of EuO2 is confirmed by the application of electric field and charging. Single layer 1T-EuO2, with its stable ultra-thin structure and half-metallic ferrimagnetic feature, is a promising novel material for nanoscale electronic and spintronic applications.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000486397800003 Publication Date 2019-08-03  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0304-8853 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor (up) 2.7 Times cited 1 Open Access  
  Notes ; Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). HS acknowledges financial support from the TUBITAK under the project number 117F095. MY is supported by the Flemish Science Foundation (FWO-Vl) by a postdoctoral fellowship. ; Approved Most recent IF: 2.7; 2020 IF: 2.63  
  Call Number UA @ admin @ c:irua:162755 Serial 6323  
Permanent link to this record
 
 
Author Kahraman, Z.; Yagmurcukardes, M.; Sahin, H. pdf  doi
openurl 
  Title Functionalization of single-layer TaS₂ and formation of ultrathin Janus structures Type A1 Journal article
  Year 2020 Publication Journal Of Materials Research Abbreviated Journal J Mater Res  
  Volume 35 Issue 11 Pages 1397-1406  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Ab initio calculations are performed to investigate the structural, vibrational, electronic, and piezoelectric properties of functionalized single layers of TaS2. We find that single-layer TaS2 is a suitable host material for functionalization via fluorination and hydrogenation. The one-side fluorinated (FTaS2) and hydrogenated (HTaS2) single layers display indirect gap semiconducting behavior in contrast to bare metallic TaS2. On the other hand, it is shown that as both surfaces of TaS2 are saturated anti-symmetrically, the formed Janus structure is a dynamically stable metallic single layer. In addition, it is revealed that out-of-plane piezoelectricity is created in all anti-symmetric structures. Furthermore, the Janus-type single-layer has the highest specific heat capacity to which longitudinal and transverse acoustical phonon modes have contribution at low temperatures. Our findings indicate that single-layer TaS2 is suitable for functionalization via H and F atoms that the formed, anti-symmetric structures display distinctive electronic, vibrational, and piezoelectric properties.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000540764300005 Publication Date 2020-04-08  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0884-2914 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor (up) 2.7 Times cited 1 Open Access  
  Notes ; Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H.S. Acknowledges financial support from the TUBITAK under the project number 117F095. H.S. acknowledges support from Turkish Academy of Sciences under the GEBIP program. This work is supported by the Flemish Science Foundation (FWO-Vl) by a post-doctoral fellowship (M.Y.). ; Approved Most recent IF: 2.7; 2020 IF: 1.673  
  Call Number UA @ admin @ c:irua:170185 Serial 6525  
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Author Lebedev, N.; Stehno, M.; Rana, A.; Gauquelin, N.; Verbeeck, J.; Brinkman, A.; Aarts, J. url  doi
openurl 
  Title Inhomogeneous superconductivity and quasilinear magnetoresistance at amorphous LaTiO₃/SrTiO₃ interfaces Type A1 Journal article
  Year 2020 Publication Journal Of Physics-Condensed Matter Abbreviated Journal J Phys-Condens Mat  
  Volume 33 Issue 5 Pages 055001  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract We have studied the transport properties of LaTiO3/SrTiO3 (LTO/STO) heterostructures. In spite of 2D growth observed in reflection high energy electron diffraction, transmission electron microscopy images revealed that the samples tend to amorphize. Still, we observe that the structures are conducting, and some of them exhibit high conductance and/or superconductivity. We established that conductivity arises mainly on the STO side of the interface, and shows all the signs of the two-dimensional electron gas usually observed at interfaces between STO and LTO or LaAlO3, including the presence of two electron bands and tunability with a gate voltage. Analysis of magnetoresistance (MR) and superconductivity indicates the presence of spatial fluctuations of the electronic properties in our samples. That can explain the observed quasilinear out-of-plane MR, as well as various features of the in-plane MR and the observed superconductivity.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000588209300001 Publication Date 2020-10-14  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0953-8984 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor (up) 2.7 Times cited 1 Open Access OpenAccess  
  Notes ; NL and JA gratefully acknowledge the financial support of the research program DESCO, which is financed by the Netherlands Organisation for Scientific Research (NWO). The authors thank J Jobst, S Smink, K Lahabi and G Koster for useful discussion. ; Approved Most recent IF: 2.7; 2020 IF: 2.649  
  Call Number UA @ admin @ c:irua:173679 Serial 6545  
Permanent link to this record
 
 
Author Corthals, S.; van Noyen, J.; Liang, D.; Ke, X.; Van Tendeloo, G.; Jacobs, P.; Sels, B. pdf  doi
openurl 
  Title A cyclic catalyst pretreatment in CO2 for high yield production of Carbon nanofibers with narrow diameter distribution Type A1 Journal article
  Year 2011 Publication Catalysis letters Abbreviated Journal Catal Lett  
  Volume 141 Issue 11 Pages 1621-1624  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract This paper presents a cyclic catalyst pretreatment process to improve the CNF yield with narrow size distribution by sequentially feeding the CVD reactor with CH4/CO2 mixtures (carbon deposition) and CO2 (carbon removal) prior to the actual growth process. A mechanism based on a break-up of large Ni particles tentatively explains the beneficial effect of the cyclic carbon deposition/removal CVD procedure.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Basel Editor  
  Language Wos 000296471400006 Publication Date 2011-09-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1011-372X;1572-879X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor (up) 2.799 Times cited 1 Open Access  
  Notes Iwt; Iap Approved Most recent IF: 2.799; 2011 IF: 2.242  
  Call Number UA @ lucian @ c:irua:91888 Serial 598  
Permanent link to this record
 
 
Author Friedrich, T.; Yu, C.-P.; Verbeeck, J.; Van Aert, S. url  doi
openurl 
  Title Phase object reconstruction for 4D-STEM using deep learning Type A1 Journal article
  Year 2023 Publication Microscopy and microanalysis Abbreviated Journal  
  Volume 29 Issue 1 Pages 395-407  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract In this study, we explore the possibility to use deep learning for the reconstruction of phase images from 4D scanning transmission electron microscopy (4D-STEM) data. The process can be divided into two main steps. First, the complex electron wave function is recovered for a convergent beam electron diffraction pattern (CBED) using a convolutional neural network (CNN). Subsequently, a corresponding patch of the phase object is recovered using the phase object approximation. Repeating this for each scan position in a 4D-STEM dataset and combining the patches by complex summation yields the full-phase object. Each patch is recovered from a kernel of 3x3 adjacent CBEDs only, which eliminates common, large memory requirements and enables live processing during an experiment. The machine learning pipeline, data generation, and the reconstruction algorithm are presented. We demonstrate that the CNN can retrieve phase information beyond the aperture angle, enabling super-resolution imaging. The image contrast formation is evaluated showing a dependence on the thickness and atomic column type. Columns containing light and heavy elements can be imaged simultaneously and are distinguishable. The combination of super-resolution, good noise robustness, and intuitive image contrast characteristics makes the approach unique among live imaging methods in 4D-STEM.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001033590800038 Publication Date 2023-01-12  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1431-9276 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor (up) 2.8 Times cited 1 Open Access OpenAccess  
  Notes We acknowledge funding from the European Research Council (ERC) under the European Union's Horizon 2020 research and innovation program (grant agreement no. 770887 PICOMETRICS) and funding from the European Union's Horizon 2020 research and innovation program under grant agreement No. 823717 ESTEEM3. J.V. and S.V.A acknowledge funding from the University of Antwerp through a TOP BOF project. The direct electron detector (Merlin, Medipix3, Quantum Detectors) was funded by the Hercules fund from the Flemish Government. This work was supported by the FWO and FNRS within the 2Dto3D project of the EOS program (grant number 30489208). Approved Most recent IF: 2.8; 2023 IF: 1.891  
  Call Number UA @ admin @ c:irua:198221 Serial 8912  
Permanent link to this record
 
 
Author Bals, S.; Verbeeck, J.; Van Tendeloo, G.; Liu, Y.-L.; Grivel, J.-C. pdf  doi
openurl 
  Title Quantitative electron microscopy of (Bi,Pb)2Sr2Ca2Cu3O10+\delta/Ag multifilament tapes during initial stages of annealing Type A1 Journal article
  Year 2005 Publication Journal of the American Ceramic Society Abbreviated Journal J Am Ceram Soc  
  Volume 88 Issue 2 Pages 431-436  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract The microstructural and compositional evolution during initial annealing of a superconducting (Bi,Pb)(2)Sr2Ca2Cu3O10+delta/Ag tape is studied using quantitative transmission electron microscopy. Special attention is devoted to the occurrence of Pb-rich liquids, which are crucial for the Bi2Sr2CaCu2O8+delta to (Bi,Pb)(2)Sr2Ca2Cu3O10+delta transformation. Ca and/or Pb-rich (Bi,Pb)(2)Sr2CaCu2O8+delta grains dissolve into a liquid, which reacts with Ca-rich phases to increase the liquid's Ca-content. This leads to (Bi,Pb)(2)Sr2Ca2Cu3O10+delta formation. Apparently, a Ca/Sr ratio of around I is sufficient to keep (Bi,Pb)(2)Sr2Ca2Cu3O10+delta nucleation going. It is confirmed that Ag particles are transported from the Ag-sheath into the oxide core by the liquid and not by mechanical treatment of the tape.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Columbus, Ohio Editor  
  Language Wos 000227510200030 Publication Date 2005-02-16  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0002-7820;1551-2916; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor (up) 2.841 Times cited 1 Open Access  
  Notes Approved Most recent IF: 2.841; 2005 IF: 1.586  
  Call Number UA @ lucian @ c:irua:54876UA @ admin @ c:irua:54876 Serial 2754  
Permanent link to this record
 
 
Author Xu, Q.; Zandbergen, H.W.; van Dyck, D. pdf  doi
openurl 
  Title Applying an information transmission approach to extract valence electron information from reconstructed exit waves Type A1 Journal article
  Year 2011 Publication Ultramicroscopy Abbreviated Journal Ultramicroscopy  
  Volume 111 Issue 7 Pages 912-919  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab  
  Abstract The knowledge of the valence electron distribution is essential for understanding the properties of materials. However this information is difficult to obtain from HREM images because it is easily obscured by the large scattering contribution of core electrons and by the strong dynamical scattering process. In order to develop a sensitive method to extract the information of valence electrons, we have used an information transmission approach to describe the electron interaction with the object. The scattered electron wave is decomposed in a set of basic functions, which are the eigen functions of the Hamiltonian of the projected electrostatic object potential. Each basic function behaves as a communication channel that transfers the information of the object with its own transmission characteristic. By properly combining the components of the different channels, it is possible to design a scheme to extract the information of valence electron distribution from a series of exit waves. The method is described theoretically and demonstrated by means of computer simulations.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000300461000024 Publication Date 2011-02-02  
  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 (up) 2.843 Times cited 1 Open Access  
  Notes Fwo Approved Most recent IF: 2.843; 2011 IF: 2.471  
  Call Number UA @ lucian @ c:irua:93623 Serial 146  
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