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Author Nascimento, J.S.; da Costa, D.R.; Zarenia, M.; Chaves, A.; Pereira, J.M., Jr. url  doi
openurl 
  Title Magnetic properties of bilayer graphene quantum dots in the presence of uniaxial strain Type A1 Journal article
  Year 2017 Publication Physical review B Abbreviated Journal Phys Rev B  
  Volume 96 Issue 11 Pages 115428  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Using the tight-binding approach coupled with mean-field Hubbard model, we theoretically study the effect of mechanical deformations on the magnetic properties of bilayer graphene (BLG) quantum dots (QDs). Results are obtained for AA-and AB(Bernal)-stacked BLG QDs, considering different geometries (hexagonal, triangular and square shapes) and edge types (armchair and zigzag edges). In the absence of strain, our results show that (i) the magnetization is affected by taking different dot sizes only for hexagonal BLG QDs with zigzag edges, exhibiting different critical Hubbard interactions, and (ii) the magnetization does not depend on the interlayer hopping energies, except for the geometries with zigzag edges and AA stacking. In the presence of in-plane and uniaxial strain, for all geometries we obtain two different magnetization regimes depending on the applied strain amplitude. The appearance of such different regimes is due to the breaking of layer and sublattice symmetries in BLG QDs.  
  Address  
  Corporate Author Thesis  
  Publisher American Physical Society Place of Publication New York, N.Y Editor  
  Language Wos 000411077400008 Publication Date 2017-09-18  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 4 Open Access  
  Notes ; This work was financially supported by CNPq, FUNCAP, CAPES Foundation, the Flemish Science Foundation (FWO-Vl), and the Brazilian Program Science Without Borders (CsF). ; Approved Most recent IF: 3.836  
  Call Number UA @ lucian @ c:irua:146751 Serial 4788  
Permanent link to this record
 

 
Author Zhang, L.-F.; Flammia, L.; Covaci, L.; Perali, A.; Milošević, M.V. url  doi
openurl 
  Title Multifaceted impact of a surface step on superconductivity in atomically thin films Type A1 Journal article
  Year 2017 Publication Physical review B Abbreviated Journal Phys Rev B  
  Volume 96 Issue 10 Pages 104509  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Recent experiments show that an atomic step on the surface of atomically thin metallic films can strongly affect electronic transport. Here we reveal multiple and versatile effects that such a surface step can have on superconductivity in ultrathin films. By solving the Bogoliubov-de Gennes equations self-consistently in this regime, where quantum confinement dominates the emergent physics, we show that the electronic structure is profoundly modified on the two sides of the step, as is the spatial distribution of the superconducting order parameter and its dependence on temperature and electronic gating. Furthermore, the surface step changes nontrivially the transport properties both in the proximity-induced superconducting pair correlations and the Josephson effect, depending on the step height. These results offer a new route to tailor superconducting circuits and design atomically thin heterojunctions made of one same material.  
  Address  
  Corporate Author Thesis  
  Publisher American Physical Society Place of Publication New York, N.Y Editor  
  Language Wos 000411076000012 Publication Date 2017-09-18  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 7 Open Access  
  Notes ; This work was supported by the Research Foundation Flanders (FWO-Vlaanderen), the Special Research Funds of the University of Antwerp (TOPBOF project) and the Italian MIUR through the PRIN 2015 program (Contract No. 2015C5SEJJ001). ; Approved Most recent IF: 3.836  
  Call Number UA @ lucian @ c:irua:146750 Serial 4790  
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Author Arsoski, V.V.; Grujić, M.M.; Čukarić, N.A.; Tadic, M.Z.; Peeters, F.M. url  doi
openurl 
  Title Normal and skewed phosphorene nanoribbons in combined magnetic and electric fields Type A1 Journal article
  Year 2017 Publication Physical review B Abbreviated Journal Phys Rev B  
  Volume 96 Issue 12 Pages 125434  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The energy spectrum and eigenstates of single-layer black phosphorus nanoribbons in the presence of a perpendicular magnetic field and an in-plane transverse electric field are investigated by means of a tight-binding method, and the effect of different types of edges is examined analytically. A description based on a continuum model is proposed using an expansion of the tight-binding model in the long-wavelength limit. Thewave functions corresponding to the flatband part of the spectrum are obtained analytically and are shown to agree well with the numerical results from the tight-binding method for both narrow (10 nm) and wide (100 nm) nanoribbons. Analytical expressions for the critical magnetic field at which Landau levels are formed and the ranges of wave numbers in the dispersionless flatband segments in the energy spectra are derived. We examine the evolution of the Landau levels when an in-plane lateral electric field is applied, and we determine analytically how the edge states shift withmagnetic field. For wider nanoribbons, the conductance is shown to have a characteristic staircase shape in combined magnetic and electric fields. Some of the stairs in zigzag and skewed armchair nanoribbons originate from edge states that are found in the band gap.  
  Address  
  Corporate Author Thesis  
  Publisher American Physical Society Place of Publication New York, N.Y Editor  
  Language Wos 000411572400008 Publication Date 2017-09-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 8 Open Access  
  Notes ; This work was supported by Erasmus+, the Serbian Ministry of Education, Science and Technological Development, and the Flemish Science Foundation (FWO-Vl). ; Approved Most recent IF: 3.836  
  Call Number UA @ lucian @ c:irua:146738 Serial 4791  
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Author Augustyns, V.; van Stiphout, K.; Joly, V.; Lima, T.A.L.; Lippertz, G.; Trekels, M.; Menendez, E.; Kremer, F.; Wahl, U.; Costa, A.R.G.; Correia, J.G.; Banerjee, D.; Gunnlaugsson, H.P.; von Bardeleben, J.; Vickridge, I.; Van Bael, M.J.; Hadermann, J.; Araujo, J.P.; Temst, K.; Vantomme, A.; Pereira, L.M.C. url  doi
openurl 
  Title Evidence of tetragonal distortion as the origin of the ferromagnetic ground state in gamma-Fe nanoparticles Type A1 Journal article
  Year 2017 Publication Physical review B Abbreviated Journal Phys Rev B  
  Volume 96 Issue 17 Pages 174410  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract <script type='text/javascript'>document.write(unpmarked('gamma-Fe and related alloys are model systems of the coupling between structure and magnetism in solids. Since different electronic states (with different volumes and magnetic ordering states) are closely spaced in energy, small perturbations can alter which one is the actual ground state. Here, we demonstrate that the ferromagnetic state of gamma-Fe nanoparticles is associated with a tetragonal distortion of the fcc structure. Combining a wide range of complementary experimental techniques, including low-temperature Mossbauer spectroscopy, advanced transmission electron microscopy, and synchrotron radiation techniques, we unambiguously identify the tetragonally distorted ferromagnetic ground state, with lattice parameters a = 3.76(2) angstrom and c = 3.50(2) angstrom, and a magnetic moment of 2.45(5) mu(B) per Fe atom. Our findings indicate that the ferromagnetic order in nanostructured gamma-Fe is generally associated with a tetragonal distortion. This observation motivates a theoretical reassessment of the electronic structure of gamma-Fe taking tetragonal distortion into account.'));  
  Address  
  Corporate Author Thesis  
  Publisher American Physical Society Place of Publication New York, N.Y Editor  
  Language Wos 000414525200005 Publication Date 2017-11-07  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 1 Open Access OpenAccess  
  Notes ; The authors thank the Fund for Scientific Research-Flanders, the Concerted Research Action of the KU Leuven (GOA/14/007), the KU Leuven BOF (STRT/14/002), the Hercules Foundation, the Portuguese Foundation for Science and Technology (CERN/FIS-NUC/0004/2015), and the European Union Seventh Framework through ENSAR2 (European Nuclear Science and Applications Research, Project No. 654002), and SPIRIT (Support of Public and Industrial Research Using Ion Beam Technology, Contract No. 227012). We acknowledge the European Synchrotron Radiation Facility (ESRF) for providing beam time (experiments 26-01-1018, 26-01-1057, 20-02-728, HC-1850, HC-2208), as well as C. Baehtz, N. Boudet, and N. Blancand for support during the experiments. We acknowledge the ISOLDE-CERN facility for providing beam time (experiment IS580) and technical assistance. The authors (L.M.C.P., F.K.) acknowledge the facilities and the scientific and technical assistance of the Australian Microscopy & Microanalysis Research Facility at the Centre for Advanced Microscopy, Australian National University. We also acknowledge the contribution of Prof. Mark Ridgway (Australian National University), who passed away before the work was completed. ; Approved Most recent IF: 3.836  
  Call Number UA @ lucian @ c:irua:147387 Serial 4873  
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Author Carmesin, C.; Schowalter, M.; Lorke, M.; Mourad, D.; Grieb, T.; Müller-Caspary, K.; Yacob, M.; Reithmaier, J.P.; Benyoucef, M.; Rosenauer, A.; Jahnke, F. url  doi
openurl 
  Title Interplay of morphology, composition, and optical properties of InP-based quantum dots emitting at the 1.55 \mum telecom wavelength Type A1 Journal article
  Year 2017 Publication Physical review B Abbreviated Journal Phys Rev B  
  Volume 96 Issue 23 Pages 235309  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract <script type='text/javascript'>document.write(unpmarked('Results for the development and detailed analysis of self-organized InAs/InAlGaAs/InP quantum dots suitable for single-photon emission at the 1.55 mu m telecom wavelength are reported. The structural and compositional properties of the system are obtained from high-resolution scanning transmission electron microscopy of individual quantum dots. The system is composed of almost pure InAs quantum dots embedded in quaternary InAlGaAs barrier material, which is lattice matched to the InP substrate. When using the measured results for a representative quantum-dot geometry as well as experimentally reconstructed alloy concentrations, a combination of strain-field and electronic-state calculations is able to reproduce the quantum-dot emission wavelength in agreement with the experimentally determined photoluminescence spectrum. The inhomogeneous broadening of the latter can be related to calculated variations of the emission wavelength for the experimentally deduced In-concentration fluctuations and size variations.'));  
  Address  
  Corporate Author Thesis  
  Publisher American Physical Society Place of Publication New York, N.Y Editor  
  Language Wos 000418654200009 Publication Date 2017-12-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 3 Open Access OpenAccess  
  Notes ; The authors gratefully acknowledge financial support from the Deutsche Forschungsgemeinschaft Project No. JA 14-1, the BMBF Projects Q.com-H No. 16KIS0111 and No. 16KIS0112, as well as computational resources from HLRN (Hannover, Berlin). ; Approved Most recent IF: 3.836  
  Call Number UA @ lucian @ c:irua:148505 Serial 4882  
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Author Stosic, D.; Ludermir, T.B.; Milošević, M.V. url  doi
openurl 
  Title Pinning of magnetic skyrmions in a monolayer Co film on Pt(111) : Theoretical characterization and exemplified utilization Type A1 Journal article
  Year 2017 Publication Physical review B Abbreviated Journal Phys Rev B  
  Volume 96 Issue 21 Pages 214403  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract <script type='text/javascript'>document.write(unpmarked('Magnetic skyrmions are nanoscale windings of the spin structure that can be observed in chiral magnets and hold promise for potential applications in storing or processing information. Pinning due to ever-present material imperfections crucially affects the mobility of skyrmions. Therefore, a proper understanding of how magnetic skyrmions pin to defects is necessary for the development and performance of spintronic devices. Here we present a fundamental analysis on the interactions of single skyrmions with atomic defects of distinctly different origins, in a Co monolayer on Pt, based on minimum-energy paths considerations and atomic-spin simulations. We first report the preferred pinning loci of the skyrmion as a function of its nominal size and the type of defect being considered, to further reveal the manipulation and \u0022breathing\u0022 of skyrmion core in the vicinity of a defect. We also show the behavior of skyrmions in the presence of an extended defect of particular geometry, that can lead to ratcheted skyrmion motion or a facilitated guidance on a defect \u0022trail.\u0022 We close the study with reflections on the expected thermal stability of the skyrmion against collapse on itself for a given nature of the defect, and discuss the applications where control of skyrmions by defects is of particular interest.'));  
  Address  
  Corporate Author Thesis  
  Publisher American Physical Society Place of Publication New York, N.Y Editor  
  Language Wos 000416846900002 Publication Date 2017-12-01  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 52 Open Access  
  Notes ; This work was supported by the Research Foundation, Flanders (FWO-Vlaanderen) and Brazilian agency CNPq (Grants No. 442668/2014-7 and No. 140840/2016-8). ; Approved Most recent IF: 3.836  
  Call Number UA @ lucian @ c:irua:147684 Serial 4890  
Permanent link to this record
 

 
Author Zhang, L.-F.; Covaci, L.; Milošević, M.V. url  doi
openurl 
  Title Topological phase transitions in small mesoscopic chiral p-wave superconductors Type A1 Journal article
  Year 2017 Publication Physical review B Abbreviated Journal Phys Rev B  
  Volume 96 Issue 22 Pages 224512  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract <script type='text/javascript'>document.write(unpmarked('Spin-triplet chiral p-wave superconductivity is typically described by a two-component order parameter, and as such is prone to unique emergent effects when compared to the standard single-component superconductors. Here we present the equilibrium phase diagram for small mesoscopic chiral p-wave superconducting disks in the presence of magnetic field, obtained by solving the microscopic Bogoliubov-de Gennes equations self-consistently. In the ultrasmall limit, the cylindrically symmetric giant-vortex states form the ground state of the system. However, with increasing sample size, the cylindrical symmetry is broken as the two components of the order parameter segregate into domains, and the number of fragmented domain walls between them characterizes the resulting states. Such domain walls are topological defects unique for the p-wave order, and constitute a dominant phase in the mesoscopic regime. Moreover, we find two possible types of domain walls, identified by their chirality-dependent interaction with the edge states.'));  
  Address  
  Corporate Author Thesis  
  Publisher American Physical Society Place of Publication New York, N.Y Editor  
  Language Wos 000418653500012 Publication Date 2017-12-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 18 Open Access  
  Notes ; This work was supported by the Research Foundation Flanders (FWO-Vlaanderen) and the Special Research Funds of the University of Antwerp. ; Approved Most recent IF: 3.836  
  Call Number UA @ lucian @ c:irua:148504 Serial 4901  
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Author Takatsu, H.; Hernandez, O.; Yoshimune, W.; Prestipino, C.; Yamamoto, T.; Tassel, C.; Kobayashi, Y.; Batuk, D.; Shibata, Y.; Abakumov, A.M.; Brown, C.M.; Kageyama, H. doi  openurl
  Title Cubic lead perovskite PbMoO3 with anomalous metallic behavior Type A1 Journal article
  Year 2017 Publication Physical review B Abbreviated Journal  
  Volume 95 Issue 15 Pages 155105  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract A previously unreported Pb-based perovskite PbMoO3 is obtained by high-pressure and high-temperature synthesis. This material crystallizes in the Pm3m cubic structure at room temperature, making it distinct from typical Pb-based perovskite oxides with a structural distortion. PbMoO3 exhibits a metallic behavior down to 0.1 K with an unusual T-sublinear dependence of the electrical resistivity. Moreover, a large specific heat is observed at low temperatures accompanied by a peak in C-P/T-3 around 10 K, in marked contrast to the isostructural metallic system SrMoO3. These transport and thermal properties for PbMoO3, taking into account anomalously large Pb atomic displacements detected through diffraction experiments, are attributed to a low-energy vibrational mode, associated with incoherent off-centering of lone-pair Pb2+ cations. We discuss the unusual behavior of the electrical resistivity in terms of a polaronlike conduction, mediated by the strong coupling between conduction electrons and optical phonons of the local low-energy vibrational mode.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000440605700001 Publication Date 2017-04-04  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:167288 Serial 7743  
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Author Mirzakhani, M.; Zarenia, M.; Vasilopoulos, P.; Peeters, F.M. doi  openurl
  Title Electrostatically confined trilayer graphene quantum dots Type A1 Journal article
  Year 2017 Publication Physical review B Abbreviated Journal  
  Volume 95 Issue 15 Pages 155434  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Electrically gating of trilayer graphene (TLG) opens a band gap offering the possibility to electrically engineer TLG quantum dots. We study the energy levels of such quantum dots and investigate their dependence on a perpendicular magnetic field B and different types of stacking of the graphene layers. The dots are modeled as circular and confined by a truncated parabolic potential which can be realized by nanostructured gates or position-dependent doping. The energy spectra exhibit the intervalley symmetry E-K(e) (m) = -E (h)(K') (m) for the electron (e) and hole (h) states, where m is the angular momentum quantum number and K and K' label the two valleys. The electron and hole spectra for B = 0 are twofold degenerate due to the intervalley symmetry E-K (m) = E-K' [-(m + 1)]. For both ABC [alpha = 1.5 (1.2) for large (small) R] and ABA (alpha = 1) stackings, the lowest-energy levels show approximately a R-alpha dependence on the dot radius R in contrast with the 1/R-3 one for ABC-stacked dots with infinite-mass boundary. As functions of the field B, the oscillator strengths for dipole-allowed transitions differ drastically for the two types of stackings.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000399797200003 Publication Date 2017-04-22  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited 6 Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:152652 Serial 7878  
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Author Shayeganfar, F.; Vasu, K.S.; Nair, R.R.; Peeters, F.M.; Neek-Amal, M. url  doi
openurl 
  Title Monolayer alkali and transition-metal monoxides : MgO, CaO, MnO, and NiO Type A1 Journal article
  Year 2017 Publication Physical review B Abbreviated Journal  
  Volume 95 Issue 14 Pages 144109  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Two-dimensional crystals with strong interactions between layers has attracted increasing attention in recent years in a variety of fields. In particular, the growth of a single layer of oxide materials (e.g., MgO, CaO, NiO, and MnO) over metallic substrates were found to display different physical properties than their bulk. In this study, we report on the physical properties of a single layer of metallic oxide materials and compare their properties with their bulk and other two-dimensional (2D) crystals. We found that the planar structure of metallic monoxides are unstable whereas the buckled structures are thermodynamically stable. Also, the 2D-MnO and NiO exhibit different magnetic (ferromagnetic) and optical properties than their bulk, whereas band-gap energy and linear stiffness are found to be decreasing from NiO to MgO. Our findings provide insight into oxide thin-film technology applications.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000399792400001 Publication Date 2017-04-20  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited 21 Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:152654 Serial 8278  
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Author Li, L.L.; Zarenia, M.; Xu, W.; Dong, H.M.; Peeters, F.M. url  doi
openurl 
  Title Exciton states in a circular graphene quantum dot: Magnetic field induced intravalley to intervalley transition Type A1 Journal article
  Year 2017 Publication Physical review B Abbreviated Journal Phys Rev B  
  Volume 95 Issue 95 Pages 045409  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The magnetic-field dependence of the energy spectrum, wave function, binding energy, and oscillator strength of exciton states confined in a circular graphene quantum dot (CGQD) is obtained within the configuration interaction method. We predict that (i) excitonic effects are very significant in the CGQD as a consequence of a combination of geometric confinement, magnetic confinement, and reduced screening; (ii) two types of excitons (intravalley and intervalley) are present in the CGQD because of the valley degree of freedom in graphene; (iii) the intravalley and intervalley exciton states display different magnetic-field dependencies due to the different electron-hole symmetries of the single-particle energy spectra; (iv) with increasing magnetic field, the exciton ground state in the CGQD undergoes an intravalley to intervalley transition accompanied by a change of angular momentum; (v) the exciton binding energy does not increase monotonically with the magnetic field due to the competition between geometric and magnetic confinements; and (vi) the optical transitions of the intervalley and intravalley excitons can be tuned by the magnetic field, and valley-dependent excitonic transitions can be realized in a CGQD.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000391856000006 Publication Date 2017-01-12  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 2469-9950;2469-9969; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 14 Open Access  
  Notes ; This work was financially supported by the China Scholarship Council (CSC), the Flemish Science Foundation (FWO-Vl), the National Natural Science Foundation of China (Grants No. 11304316, No. 11574319, and No. 11604380), and by the Chinese Academy of Sciences (CAS). ; Approved Most recent IF: 3.836  
  Call Number UA @ lucian @ c:irua:141444 Serial 4555  
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Author Satarifard, V.; Mousaei, M.; Hadadi, F.; Dix, J.; Sobrino Fernández, M.; Carbone, P.; Beheshtian, J.; Peeters, F.M.; Neek-Amal, M. url  doi
openurl 
  Title Reversible structural transition in nanoconfined ice Type A1 Journal article
  Year 2017 Publication Physical review B Abbreviated Journal Phys Rev B  
  Volume 95 Issue 95 Pages 064105  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The report on square ice sandwiched between two graphene layers by Algara-Siller et al. [Nature (London) 519, 443 (2015)] has generated a large interest in this system. By applying high lateral pressure on nanoconfined water, we found that monolayer ice is transformed to bilayer ice when the two graphene layers are separated by H = 6,7 angstrom. It was also found that three layers of a denser phase of ice with smaller lattice constant are formed if we start from bilayer ice and apply a lateral pressure of about 0.7 GPa with H = 8,9 angstrom. The lattice constant (2.5-2.6 angstrom) in both transitions is found to be smaller than those typical for the known phases of ice and water, i.e., 2.8 angstrom. We validate these results using ab initio calculations and find good agreement between ab initio O-O distance and those obtained from classical molecular dynamics simulations. The reversibility of the mentioned transitions is confirmed by decompressing the systems.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000393943300005 Publication Date 2017-02-16  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 2469-9950;2469-9969; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 23 Open Access  
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem Foundation. ; Approved Most recent IF: 3.836  
  Call Number UA @ lucian @ c:irua:141994 Serial 4558  
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Author Stosic, D.; Mulkers, J.; Van Waeyenberge, B.; Ludermir, T.B.; Milošević, M.V. url  doi
openurl 
  Title Paths to collapse for isolated skyrmions in few-monolayer ferromagnetic films Type A1 Journal article
  Year 2017 Publication Physical review B Abbreviated Journal Phys Rev B  
  Volume 95 Issue 21 Pages 214418  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Magnetic skyrmions are topological spin configurations in materials with chiral Dzyaloshinskii-Moriya interaction (DMI), that are potentially useful for storing or processing information. To date, DMI has been found in few bulk materials, but can also be induced in atomically thin magnetic films in contact with surfaces with large spin-orbit interactions. Recent experiments have reported that isolated magnetic skyrmions can be stabilized even near room temperature in few-atom-thick magnetic layers sandwiched between materials that provide asymmetric spin-orbit coupling. Here we present the minimum-energy path analysis of three distinct mechanisms for the skyrmion collapse, based on ab initio input and the performed atomic-spin simulations. We focus on the stability of a skyrmion in three atomic layers of Co, either epitaxial on the Pt(111) surface or within a hybrid multilayer where DMI nontrivially varies per monolayer due to competition between different symmetry breaking from two sides of the Co film. In laterally finite systems, their constrained geometry causes poor thermal stability of the skyrmion toward collapse at the boundary, which we show to be resolved by designing the high-DMI structure within an extended film with lower or no DMI.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000404015500001 Publication Date 2017-06-23  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 48 Open Access  
  Notes This work was supported by the Research Foundation, Flanders (FWO-Vlaanderen) and Brazilian agency CNPq (Grants No. 442668/2014-7 and No. 140840/2016-8). Approved Most recent IF: 3.836  
  Call Number CMT @ cmt @c:irua:144865 Serial 4704  
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Author Callewaert, V.; Saniz, R.; Barbiellini, B.; Bansil, A.; Partoens, B. pdf  url
doi  openurl
  Title Application of the weighted-density approximation to the accurate description of electron-positron correlation effects in materials Type A1 Journal article
  Year 2017 Publication Physical review B Abbreviated Journal Phys Rev B  
  Volume 96 Issue 8 Pages 085135  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We discuss positron-annihilation lifetimes for a set of illustrative bulk materials within the framework of the weighted-density approximation (WDA). The WDA can correctly describe electron-positron correlations in strongly inhomogeneous systems, such as surfaces, where the applicability of (semi-)local approximations is limited. We analyze the WDA in detail and show that the electrons which cannot screen external charges efficiently, such as the core electrons, cannot be treated accurately via the pair correlation of the homogeneous electron gas. We discuss how this problem can be addressed by reducing the screening in the homogeneous electron gas by adding terms depending on the gradient of the electron density. Further improvements are obtained when core electrons are treated within the LDA and the valence electron using the WDA. Finally, we discuss a semiempirical WDA-based approach in which a sum rule is imposed to reproduce the experimental lifetimes.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000408342600003 Publication Date 2017-08-24  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 6 Open Access  
  Notes Fonds Wetenschappelijk Onderzoek, G. 0224.14N ; U.S. Department of Energy, DE-FG02-07ER46352 DE-AC02-05CH11231 DE-SC0012575 ; Approved Most recent IF: 3.836  
  Call Number CMT @ cmt @c:irua:145703 Serial 4703  
Permanent link to this record
 

 
Author Mulkers, J.; Van Waeyenberge, B.; Milošević, M.V. url  doi
openurl 
  Title Effects of spatially engineered Dzyaloshinskii-Moriya interaction in ferromagnetic films Type A1 Journal article
  Year 2017 Publication Physical review B Abbreviated Journal Phys Rev B  
  Volume 95 Issue 95 Pages 144401  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The Dzyaloshinskii-Moriya interaction (DMI) is a chiral interaction that favors formation of domain walls. Recent experiments and ab initio calculations show that there are multiple ways to modify the strength of the interfacially induced DMI in thin ferromagnetic films with perpendicular magnetic anisotropy. In this paper we reveal theoretically the effects of spatially varied DMI on the magnetic state in thin films. In such heterochiral 2D structures we report several emergent phenomena, ranging from the equilibrium spin canting at the interface between regions with different DMI, over particularly strong confinement of domain walls and skyrmions within high-DMI tracks, to advanced applications such as domain tailoring nearly at will, design of magnonic waveguides, and much improved skyrmion racetrack memory.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000399382100003 Publication Date 2017-04-03  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 60 Open Access  
  Notes Fonds Wetenschappelijk Onderzoek, G098917N ; Approved Most recent IF: 3.836  
  Call Number CMT @ cmt @ c:irua:141917 Serial 4534  
Permanent link to this record
 

 
Author Han, F.W.; Xu, W.; Li, L.L.; Zhang, C.; Dong, H.M.; Peeters, F.M. url  doi
openurl 
  Title Electronic and transport properties of n-type monolayer black phosphorus at low temperatures Type A1 Journal article
  Year 2017 Publication Physical review B Abbreviated Journal Phys Rev B  
  Volume 95 Issue 95 Pages 115436  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We present a detailed theoretical study of the electronic and transport properties of monolayer black phosphorus (BP). This study is motivated by recent experimental activities in investigating n-type few-layer BP systems. The electron density of states, the screening length, and the low-temperature electron mobility are calculated for monolayer BP (MLBP). In particular, the electron transport mobilities along the armchair and zigzag directions are examined on the basis of the momentum-balance equation derived from a semiclassical Boltzmann equation. The anisotropic electron mobilities in MLBP along different directions are demonstrated where the electron-impurity scattering is considered. Furthermore, we compare the results obtained from two electronic band structures of MLBP and find that the simplified model can describe quite rightly the electronic and transport properties of MLBP. This study is relevant to the application of few-layer BP based electronic systems as advanced electronic devices.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000399140700012 Publication Date 2017-03-27  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 12 Open Access  
  Notes National Natural Science Foundation of China, 11574319 11304316 11304317 11604380 ; Ministry of Science and Technology of the People's Republic of China, 2011YQ130018 ; Chinese Academy of Sciences; Approved Most recent IF: 3.836  
  Call Number CMT @ cmt @ c:irua:142431 Serial 4564  
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Author Kleibert, A.; Balan, A.; Yanes, R.; Derlet, P.M.; Vaz, C.A.F.; Timm, M.; Fraile Rodríguez, A.; Béché, A.; Verbeeck, J.; Dhaka, R.S.; Radovic, M.; Nowak, U.; Nolting, F. pdf  url
doi  openurl
  Title Direct observation of enhanced magnetism in individual size- and shape-selected 3d transition metal nanoparticles Type A1 Journal article
  Year 2017 Publication Physical review B Abbreviated Journal Phys Rev B  
  Volume 95 Issue 95 Pages 195404  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Magnetic nanoparticles are critical building blocks for future technologies ranging from nanomedicine to spintronics. Many related applications require nanoparticles with tailored magnetic properties. However, despite significant efforts undertaken towards this goal, a broad and poorly understood dispersion of magnetic properties is reported, even within monodisperse samples of the canonical ferromagnetic 3d transition metals. We address this issue by investigating the magnetism of a large number of size- and shape-selected, individual nanoparticles of Fe, Co, and Ni using a unique set of complementary characterization techniques. At room temperature, only superparamagnetic behavior is observed in our experiments for all Ni nanoparticles within the investigated sizes, which range from 8 to 20 nm. However, Fe and Co nanoparticles can exist in two distinct magnetic states at any size in this range: (i) a superparamagnetic state, as expected from the bulk and surface anisotropies known for the respective materials and as observed for Ni, and (ii) a state with unexpected stable magnetization at room temperature. This striking state is assigned to significant modifications of the magnetic properties arising from metastable lattice defects in the core of the nanoparticles, as concluded by calculations and atomic structural characterization. Also related with the structural defects, we find that the magnetic state of Fe and Co nanoparticles can be tuned by thermal treatment enabling one to tailor their magnetic properties for applications. This paper demonstrates the importance of complementary single particle investigations for a better understanding of nanoparticle magnetism and for full exploration of their potential for applications.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000400665300002 Publication Date 2017-05-05  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 21 Open Access OpenAccess  
  Notes We thank A. Weber, R. Schelldorfer, and J. Krbanjevic (Paul Scherrer Institut) for technical assistance. This paper was supported by the Swiss Nanoscience Institute, University of Basel. A.F.R. acknowledges support from the MICIIN “Ramón y Cajal” Programme. A.B. and J.V. acknowledge funding from the European Union under the European Research Council (ERC) Starting Grant No. 278510 VORTEX and under a contract for Integrated Infrastructure Initiative ESTEEM2 No. 312483. R.Y. and U.N. thank the Deutsche Forschungsgemeinschaft for financial support via Sonderforschungsbereich 1214. Part of this work was performed at the Surface/Interface: Microscopy (SIM) beamline of the Swiss Light Source, Paul Scherrer Institut, Villigen, Switzerland. Approved Most recent IF: 3.836  
  Call Number EMAT @ emat @ c:irua:143634UA @ admin @ c:irua:143634 Serial 4575  
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Author Tsirlin, A.A.; Rousochatzakis, I.; Filimonov, D.; Batuk, D.; Frontzek, M.; Abakumov, A.M. url  doi
openurl 
  Title Spin-reorientation transitions in the Cairo pentagonal magnet Bi4Fe5O13F Type A1 Journal article
  Year 2017 Publication Physical review B Abbreviated Journal Phys Rev B  
  Volume 96 Issue 9 Pages 094420  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract We show that interlayer spins play a dual role in the Cairo pentagonal magnet Bi4Fe5O13F, on one hand mediating the three-dimensional magnetic order, and on the other driving spin-reorientation transitions both within and between the planes. The corresponding sequence of magnetic orders unraveled by neutron diffraction and Mossbauer spectroscopy features two orthogonal magnetic structures described by opposite local vector chiralities, and an intermediate, partly disordered phase with nearly collinear spins. A similar collinear phase has been predicted theoretically to be stabilized by quantum fluctuations, but Bi4Fe5O13F is very far from the relevant parameter regime. While the observed in-plane reorientation cannot be explained by any standard frustration mechanism, our ab initio band-structure calculations reveal strong single-ion anisotropy of the interlayer Fe3+ spins that turns out to be instrumental in controlling the local vector chirality and the associated interlayer order.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000411161700002 Publication Date 2017-09-19  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 7 Open Access OpenAccess  
  Notes We are grateful to J.-M. Perez-Mato and Dmitry Khalyavin for valuable discussions on the magnetic structures and symmetries. D.F. and A.A. are grateful to the Russian Science Foundation (Grant No. 14-13-00680) for support. A.T. was supported by the Federal Ministry for Education and Research through the Sofja Kovalevskaya Award of the Alexander von Humboldt Foundation. This work is based on experiments performed at the Swiss spallation neutron source SINQ, Paul Scherrer Institut, Villigen, Switzerland. Approved Most recent IF: 3.836  
  Call Number EMAT @ emat @c:irua:146748 Serial 4774  
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Author Hafiz, H.; Suzuki, K.; Barbiellini, B.; Orikasa, Y.; Callewaert, V.; Kaprzyk, S.; Itou, M.; Yamamoto, K.; Yamada, R.; Uchimoto, Y.; Sakurai, Y.; Sakurai, H.; Bansil, A. url  doi
openurl 
  Title Visualizing redox orbitals and their potentials in advanced lithium-ion battery materials using high-resolution x-ray Compton scattering Type A1 Journal article
  Year 2017 Publication Science Advances Abbreviated Journal Sci. Adv.  
  Volume 3 Issue 8 Pages e1700971  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract Reduction-oxidation (redox) reactions are the key processes that underlie the batteries powering smartphones, laptops, and electric cars. A redox process involves transfer of electrons between two species. For example, in a lithium-ion battery, current is generated when conduction electrons from the lithium anode are transferred to the redox orbitals of the cathode material. The ability to visualize or image the redox orbitals and how these orbitals evolve under lithiation and delithiation processes is thus of great fundamental and practical interest for understanding the workings of battery materials. We show that inelastic scattering spectroscopy using high-energy x-ray photons (Compton scattering) can yield faithful momentum space images of the redox orbitals by considering lithium iron phosphate (LiFePO4 or LFP) as an exemplar cathode battery material. Our analysis reveals a new link between voltage and the localization of transition metal 3d orbitals and provides insight into the puzzling mechanism of potential shift and how it is connected to the modification of the bond between the transition metal and oxygen atoms. Our study thus opens a novel spectroscopic pathway for improving the performance of battery materials.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000411589900055 Publication Date 2017-08-24  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 2375-2548 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited 9 Open Access  
  Notes The work at Northeastern University was supported by the U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences (grant no. DE-FG02-07ER46352) and benefited from the Northeastern University’s Advanced Scientific Computation Center and the National Energy Research Scientific Computing Center supercomputing center through DOE grant no. DEAC02-05CH11231. The work at Gunma University, Japan Synchrotron Radiation Research Institute (JASRI), and Kyoto University was supported by the Japan Science and Technology Agency. K.S. was supported by Grant-in-Aid for Young Scientists (B) from MEXT KAKENHI under grant nos. 24750065 and 15K17873. The Compton scattering experiments were performed with the approval of JASRI (proposal no. 2014A1289). V.C. was supported by the FWO-Vlaanderen through project no. G. 1161 0224.14N. Approved Most recent IF: NA  
  Call Number CMT @ cmt @c:irua:145034 Serial 4637  
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Author Zhang, B.; Deschamps, M.; Ammar, M.-R.; Raymundo-Pinero, E.; Hennet, L.; Batuk, D.; Tarascon, J.-M. pdf  doi
openurl 
  Title Laser synthesis of hard carbon for anodes in Na-ion battery Type A1 Journal article
  Year 2017 Publication Advanced Materials Technologies Abbreviated Journal  
  Volume 2 Issue 3 Pages 1600227  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000398999900003 Publication Date 2016-12-19  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 2365-709x ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited 10 Open Access Not_Open_Access  
  Notes ; The RS2E (Reseau sur le StockageElectrochimique de l'Energie) network is acknowledged for the financial support of this work through the ANR project Storex (ANR-10-LABX-76-01). J.-M.T acknowledges funding from the European Research Council (ERC) (FP/2014-2020)/ERC GrantProject 670116-ARPEMA. ; Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:142452 Serial 4666  
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Author Lopes, F.; Lima, A.; Pires de Matos, A.; Custódio, J.; Cagno, S.; Schalm, O.; Janssens, K. pdf  url
doi  openurl
  Title Characterization of 18th century Portuguese glass from Real Fábrica de Vidros de Coina Type A1 Journal article
  Year 2017 Publication Journal of Archaeological Science: Reports Abbreviated Journal  
  Volume 14 Issue Pages 137-145  
  Keywords A1 Journal article; Engineering sciences. Technology; Art; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Cultural Heritage Sciences (ARCHES)  
  Abstract This work reports the first systematic chemical characterization of Portuguese 18th century glassware. 28 selected glass fragments, recovered from an archaeological excavation carried out in the site where King D. João V of Portugal established an important glass manufacture, Real Fábrica de Vidros de Coina (Coina Royal Glass Factory), were studied. This factory operated from 1719 until 1747, the year in which the factory was transferred to Marinha Grande. The fragments were analysed by micro-energy dispersive X-ray fluorescence (micro-EDXRF), using a portable spectrometer ArtTAX, and scanning electron microscopy (SEM-EDX). The analytical data showed that a large variety of glass types was manufactured in that factory, namely soda-lime glass, mixed-alkali glass, high lime-low alkali glass, potash glass and lead glass. In general, the composition of the glass varies according to the function of the objects. It was demonstrated that micro-EDXRF can be an important tool to characterize museum glass objects when only in situ non-invasive analytical methods are allowed.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000415616700015 Publication Date 2017-05-31  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 2352-409x ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited 3 Open Access  
  Notes ; This study was supported by FCT (Fundacao para a Ciencia e a Tecnologia) under the project POCI/HAR/55882/2004 and UID/EAT/00729/2013. The PhD grant SFRH/BD/ 85329/2012 by FCT to Filipa Lopes is also acknowledged. The authors are grateful to Rosario Gil and Camara Municipal do Barreiro for their help in accessing the archaeological glass collection. We would like to thank in particular Manuela Almeida Ferreira for her valuable support in this project. ; Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:143545 Serial 5500  
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Author Lu, A.K.A.; Houssa, M.; Luisier, M.; Pourtois, G. url  doi
openurl 
  Title Impact of layer alignment on the behavior of MoS2-ZrS2 tunnel field-effect transistors : an ab initio study Type A1 Journal article
  Year 2017 Publication Physical review applied Abbreviated Journal Phys Rev Appl  
  Volume 8 Issue 3 Pages 034017  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Tunnel field-effect transistors based on van der Waals heterostructures are emerging device concepts for low-power applications, auguring sub-60 mV/dec subthreshold swing values. In these devices, the channel is built from a stack of several different two-dimensional materials whose nature allows tailoring the band alignments and enables a good electrostatic control of the device. In this work, we propose a theoretical study of the variability of the performances of a MoS2-ZrS2 tunnel field-effect transistor induced by fluctuations of the relative position or the orientation of the layers. Our results indicate that although a steep subthreshold slope (20 mV/dec) is achievable, fluctuations in the relative orientation of the ZrS2 layer with respect to the MoS2 one lead to a significant variability in the tunneling current by about one decade. This arises from changes in the orbital overlap between the layers and from the modulation of the transport direction.  
  Address  
  Corporate Author Thesis  
  Publisher American Physical Society Place of Publication College Park, Md Editor  
  Language Wos 000411460400001 Publication Date 2017-09-22  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 2331-7019 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.808 Times cited 6 Open Access OpenAccess  
  Notes Approved Most recent IF: 4.808  
  Call Number UA @ lucian @ c:irua:146741 Serial 4785  
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Author Memarbashi, E.; Azadi, H.; Barati, A.A.; Mohajeri, F.; Van Passel, S.; Witlox, F. url  doi
openurl 
  Title Land-use suitability in Northeast Iran : application of AHP-GIS hybrid model Type A1 Journal article
  Year 2017 Publication Isprs International Journal Of Geo-Information Abbreviated Journal Isprs Int J Geo-Inf  
  Volume 6 Issue 12 Pages 396-15  
  Keywords A1 Journal article; Economics; Engineering Management (ENM); Government and Law  
  Abstract Land-use suitability is the ability of a given type of land to support a defined use. Analysis of land-use suitability requires the consideration of a variety of criteria, not only the natural/physical capacity of a land unit, but also its socioeconomic and environmental impact implications. As land suitability is assessed within a Geographic Information System (GIS) environment, it is formulated as a multi-criteria decision making (MCDM) problem. The study was conducted in the Sangab Plain in northeast Iran. We investigated the study areas suitability for grassland and agricultural uses. A hybrid method of the analytic hierarchy process (AHP) and GIS methodology was applied to evaluate land suitability based on a set of criteria and sub-criteria. Results showed that 20% of the study area had high (rich), 65% had medium (fair), and 15% had low (poor) suitability for agriculture. In terms of grassland use, the comparable amounts were, respectively, about 7%, 23%, and 70%. The lands of the Sangab Plain have medium potential for agricultural use and low potential for grassland use. This paper used both qualitative and quantitative techniques.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000419217200018 Publication Date 2017-12-01  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 2220-9964 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 0.371 Times cited 7 Open Access  
  Notes ; ; Approved Most recent IF: 0.371  
  Call Number UA @ admin @ c:irua:148395 Serial 6221  
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Author Sun, S.R.; Wang, H.X.; Mei, D.H.; Tu, X.; Bogaerts, A. pdf  url
doi  openurl
  Title CO2 conversion in a gliding arc plasma: Performance improvement based on chemical reaction modeling Type A1 Journal article
  Year 2017 Publication Journal of CO2 utilization Abbreviated Journal J Co2 Util  
  Volume 17 Issue 17 Pages 220-234  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract CO2 conversion into value-added chemicals is gaining increasing interest in recent years, and a gliding arc plasma has great potential for this purpose, because of its high energy efficiency. In this study, a chemical reaction kinetics model is presented to study the CO2 splitting in a gliding arc discharge. The calculated

conversion and energy efficiency are in good agreement with experimental data in a range of different operating conditions. Therefore, this reaction kinetics model can be used to elucidate the dominant chemical reactions contributing to CO2 destruction and formation. Based on this reaction pathway analysis, the restricting factors for CO2 conversion are figured out, i.e., the reverse reactions and the small treated gas fraction. This allows us to propose some solutions in order to improve the CO2 conversion, such as decreasing the gas temperature, by using a high frequency discharge, or increasing the power

density, by using a micro-scale gliding arc reactor, or by removing the reverse reactions, which could be realized in practice by adding possible scavengers for O atoms, such as CH4. Finally, we compare our results with other types of plasmas in terms of conversion and energy efficiency, and the results illustrate that gliding arc discharges are indeed quite promising for CO2 conversion, certainly when keeping in mind the possible solutions for further performance improvement.
 
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000393928500023 Publication Date 2016-12-28  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 2212-9820 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.292 Times cited 41 Open Access Not_Open_Access  
  Notes We acknowledge financial support from the IAP/7 (Inter- university Attraction Pole) program ‘PSI-Physical Chemistry of Plasma-Surface Interactions’ by the Belgian Federal Office for Science Policy (BELSPO) and the Fund for Scientific Research Flanders (FWO; Grant no. G.0383.16N). The calculations were carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UAntwerpen), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UAntwerpen. This work is also supported by National Natural Science Foundation of China (grant nos. 11275021, 11575019). S R Sun thanks the financial support from the China Scholarship Council (CSC). Approved Most recent IF: 4.292  
  Call Number PLASMANT @ plasmant @ c:irua:138986 Serial 4332  
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Author Maes, D.; Van Passel, S. pdf  doi
openurl 
  Title An agent-based model of farmer behaviour to explain the limited adaptability of Flemish agriculture Type A1 Journal article
  Year 2017 Publication Environmental Innovation and Societal Transitions Abbreviated Journal  
  Volume 22 Issue Pages 63-77  
  Keywords A1 Journal article; Engineering Management (ENM)  
  Abstract Transition projects have been implemented for Flemish agriculture since 2003, but these did not enable a transformation of the agricultural sector. This paper looks at pre-transition scenarios that have been collectively designed by stakeholders of the agricultural sector in 2002. These foresaw decreases in the regional animal stocks in Flanders. However, the real evolution of the sector did not reveal such a decrease. It is assumed that the individual adaptive behaviour of farmers can explain the unexpected stability of the Flemish agricultural sector. A detailed agent-based model has been built to replicate the past evolution, accounting for structural diversity of farmers, heterogeneity in behaviour, and natural resource constraints. The results indicate that different forms of rigidity in the individual behaviour of farmers slow down the adaptation of the agricultural sector. Future transition scenarios should account for these elements in order not to overestimate the speed of change in the sector. (C) 2016 Elsevier B.V. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000400269900006 Publication Date 2016-07-17  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 2210-4224 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited 1 Open Access  
  Notes ; This project was financed by the Impuls-project of the Transnational University Limburg (TUL, Belgium and theNetherlands). A prior version of the results was presented in September 2014 at the 10th annual meeting of the European Social Simulation Association (ESSA) in Barcelona; the remarks from participants improved this manuscript. Thecomputational resources and services in support of this study were provided by the Hercules Foundation and the Flemish Government-department EWI. Prof. Steven Van Passel thanks DG Agriculture (European Commission) for access to theFarm Accountancy Data Network (FADN). All remaining errors are the sole responsibility of the authors. ; Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:143721 Serial 6150  
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Author Debroye, E.; Yuan, H.; Bladt, E.; Baekelant, W.; Van der Auweraer, M.; Hofkens, J.; Bals, S.; Roeffaers, M.B.J. url  doi
openurl 
  Title Facile morphology-controlled synthesis of organolead iodide perovskite nanocrystals using binary capping agents Type A1 Journal article
  Year 2017 Publication ChemNanoMat : chemistry of nanomaterials for energy, biology and more Abbreviated Journal Chemnanomat  
  Volume 3 Issue 3 Pages 223-227  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Controlling the morphology of organolead halide perovskite crystals is crucial to a fundamental understanding of the materials and to tune their properties for device applications. Here, we report a facile solution-based method for morphology-controlled synthesis of rod-like and plate-like organolead halide perovskite nanocrystals using binary capping agents. The morphology control is likely due to an interplay between surface binding kinetics of the two capping agents at different crystal facets. By high-resolution scanning transmission electron microscopy, we show that the obtained nanocrystals are monocrystalline. Moreover, long photoluminescence decay times of the nanocrystals indicate long charge diffusion lengths and low trap/defect densities. Our results pave the way for large-scale solution synthesis of organolead halide perovskite nanocrystals with controlled morphology for future device applications.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000399604300003 Publication Date 2017-01-18  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 2199-692x ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.937 Times cited 19 Open Access OpenAccess  
  Notes ; We acknowledge financial support from the Research Foundation-Flanders (FWO, grant G.0197.11, G.0962.13, G0B39.15, postdoctoral fellowship to E. D. and H. Y.), KU Leuven Research Fund (C14/15/053), the Flemish government through long term structural funding Methusalem (CASAS2, Meth/15/04), the Hercules foundation (HER/11/14), the Belgian Federal Science Policy Office (IAP-PH05), the EC through the Marie Curie ITN project iSwitch (GA-642196) and the ERC project LIGHT (GA307523). S. B. acknowledges financial support from European Research Council (ERC Starting Grant # 335078-COLOURATOMS). E. B. gratefully acknowledges financial support by the Flemish Fund for Scientific Research (FWO Vlaanderen). ; ecas_Sara Approved Most recent IF: 2.937  
  Call Number UA @ lucian @ c:irua:143678UA @ admin @ c:irua:143678 Serial 4656  
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Author Berthold, T.; Castro, C.R.; Winter, M.; Hoerpel, G.; Kurttepeli, M.; Bals, S.; Antonietti, M.; Fechler, N. pdf  url
doi  openurl
  Title Tunable nitrogen-doped carbon nanoparticles from tannic acid and urea and their potential for sustainable soots Type A1 Journal article
  Year 2017 Publication ChemNanoMat : chemistry of nanomaterials for energy, biology and more Abbreviated Journal Chemnanomat  
  Volume 3 Issue 3 Pages 311-318  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Nano-sized nitrogen-doped carbon spheres are synthesized from two cheap, readily available and sustainable precursors: tannic acid and urea. In combination with a polymer structuring agent, nitrogen content, sphere size and the surface (up to 400 m(2)g(-1)) can be conveniently tuned by the precursor ratio, temperature and structuring agent content. Because the chosen precursors allow simple oven synthesis and avoid harsh conditions, this carbon nanosphere platform offers a more sustainable alternative to classical soots, for example, as printing pigments or conduction soots. The carbon spheres are demonstrated to be a promising as conductive carbon additive in anode materials for lithium ion batteries.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000403299200006 Publication Date 2017-03-10  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 2199-692x ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.937 Times cited 14 Open Access OpenAccess  
  Notes ; S.B. is grateful for funding by the European Research Council (ERC starting grant # 335078-COLOURATOMS). ; ecas_Sara Approved Most recent IF: 2.937  
  Call Number UA @ lucian @ c:irua:144287UA @ admin @ c:irua:144287 Serial 4699  
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Author Bartolome, E.; Cayado, P.; Solano, E.; Mocuta, C.; Ricart, S.; Mundet, B.; Coll, M.; Gazquez, J.; Meledin, A.; Van Tendeloo, G.; Valvidares, S.M.; Herrero-Martin, J.; Gargiani, P.; Pellegrin, E.; Magen, C.; Puig, T.; Obradors, X. pdf  doi
openurl 
  Title Hybrid YBa2Cu3O7 superconducting-ferromagnetic nanocomposite thin films prepared from colloidal chemical solutions Type A1 Journal article
  Year 2017 Publication Advanced Electronic Materials Abbreviated Journal Adv Electron Mater  
  Volume 3 Issue 7 Pages 1700037  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract High T-c superconductor-ferromagnetic heterostructures constitute an appealing playground to study the interplay between flux vortices and magnetic moments. Here, the capability of a solution-derived route to grow hybrid YBa2Cu3O7-ferromagnetic nanocomposite epitaxial thin films from preformed spinel ferrite (MFe2O4, M = Mn, Co) nanoparticles (NPs) is explored. The characterization, performed using a combination of structural and magnetic techniques, reveals the complexity of the resulting nanocomposites. Results show that during the YBCO growth process, most of the NPs evolve to ferromagnetic double-perovskite (DP) phases (YBaCu2-x-yFexCoyO5/YBaCoFeO5), while a residual fraction of preformed ferrite NPs may remain in the YBCO matrix. Magnetometry cycles reflect the presence of ferromagnetic structures associated to the DPs embedded in the superconducting films. In addition, a superparamagnetic signal that may be associated with a diluted system of ferromagnetic clusters around complex defects has been detected, as previously observed in standard YBCO films and nanocomposites. The hybrid nanocomposites described in this work will allow studying several fundamental issues like the nucleation of superconductivity and the mechanisms of magnetic vortex pinning in superconducting/ferromagnetic heterostructures.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000405205300010 Publication Date 2017-05-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 2199-160x ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.193 Times cited 7 Open Access Not_Open_Access  
  Notes ; The authors acknowledge financial support from Spanish Ministry of Economy and Competitiveness through the “Severo Ochoa” Programme for Centres of Excellence in R& D (SEV-2015-0496), CONSOLIDER Excellence Network (MAT2015-68994-REDC), COACHSUPENERGY project (MAT2014-51778-C21-R, cofinanced by the European Regional Development Fund), and from the Catalan Government with 2014-SGR753 and Xarmae. Some of the electron microscopy work has also been conducted in the Laboratorio de Microscopias Avanzadas (LMA) at Instituto de Nanociencia de Aragcn (INA) at the University of Zaragoza. Part of the electron microscopy work in EMAT group ( University of Antwerp) was performed within the framework of the EUROTAPES project (FP7-NMP. 2011.2.2-1 Grant No. 280432), funded by the European Union. Work at INA-LMA was supported by NanoAraCat. Research at UCM (J.S.) was supported by the ERC starting Investigator Award, Grant No. 239739 STEMOX and Juan de la Cierva Program JCI2011-09428 (MICINN-Spain). The XMCD experiments were performed at the BOREAS beamline of the ALBA Synchrotron Light Facility with the collaboration of ALBA staff. The authors would like to thank SOLEIL synchrotron for allocating beamtime and the DiffAbs beamline staff for help during the experiments. ; Approved Most recent IF: 4.193  
  Call Number UA @ lucian @ c:irua:144852 Serial 4719  
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Author Smolin, S.Y.; Choquette, A.K.; Wilks, R.G.; Gauquelin, N.; Félix, R.; Gerlach, D.; Ueda, S.; Krick, A.L.; Verbeeck, J.; Bär, M.; Baxter, J.B.; May, S.J. pdf  doi
openurl 
  Title Energy Level Alignment and Cation Charge States at the LaFeO3/LaMnO3(001) Heterointerface Type A1 Journal article
  Year 2017 Publication Advanced Materials Interfaces Abbreviated Journal Adv Mater Interfaces  
  Volume 4 Issue 4 Pages 1700183  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract The electronic properties of LaFeO 3 /LaMnO 3 epitaxial heterojunctions are investigated to determine the valence and conduction band offsets and the nominal Mn and Fe valence states at the interface. Studying a systematic series of (LaFeO 3 ) n /(LaMnO 3 ) m bilayers (m ≈ 50) epitaxially grown in the (001) orientation using molecular beam epitaxy, layer-resolved electron energy loss spectroscopy reveals a lack of significant interfacial charge transfer, with a nominal 3+ valence state observed for both Mn and Fe across the interface. Through a combination of variable angle spectroscopic ellipsometry and hard X-ray photoelectron spectroscopy, type I energy level alignments are obtained at the LaFeO 3 /LaMnO 3 interface with positive valence and conduction band offsets of (1.20 ± 0.07) eV and (0.5–0.7 ± 0.3) eV, respectively, with minimal band bending. Variable temperature resistivity measurements reveal that the bilayers remain insulating and that the presence of the heterojunction does not result in a conducting interface.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000406068400011 Publication Date 2017-04-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 2196-7350 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.279 Times cited 14 Open Access Not_Open_Access  
  Notes The authors thank Dmytro Nykypanchuk for assistance with the near- infrared ellipsometry measurement of the LaMnO 3 film. S.Y.S., A.K.C., J.B.B, and S.J.M. acknowledge funding from the National Science Foundation under grant number ECCS-1201957. S.Y.S. acknowledges additional funding from the German Academic Exchange Service (DAAD) through the Research Internships in Science and Engineering (RISE) professional program 2015 ID 5708457. A.L.K. was funded by the National Science Foundation under grant number DMR-1151649. J.V. and N.G. acknowledge funding through the GOA project “Solarpaint” of the University of Antwerp and from the FWO project G.0044.13N (Charge ordering). The microscope used in this work was partly funded by the Hercules Fund from the Flemish Government. Ellipsometry measurements of the LaMnO 3 film were carried out at the Center for Functional Nanomaterials, Brookhaven National Laboratory, which is supported by the U.S. Department of Energy, Office of Basic Energy Sciences, under Contract No. DE-ACO2-98CH10886. S.U. would like to thank the staff of HiSOR, Hiroshima University, and JAEA/Spring-8 for the development of HAXPES at BL15XU of SPring-8. The HAXPES measurements were performed with approval of NIMS Synchrotron X-ray Station (Proposal No. 2015B4601), and were partly supported by the Ministry of Education, Culture, Sports, Science and Technology (MEXT), Japan. The authors also thank HZB for the allocation of synchrotron radiation beamtime for HAXPES/XANES measurements. R.G.W., R.F, and M.B. are grateful to the Impuls- und Vernetzungsfonds of the Helmholtz Association (VH-NG-423).; National Science Foundation, ECCS-1201957 DMR-1151649 ; Deutscher Akademischer Austauschdienst, 2015 ID 5708457 ; GOA project; Fonds Wetenschappelijk Onderzoek, G.0044.13N ; Flemish Government; U.S. Department of Energy, DE-ACO2-98CH10886 ; Vernetzungsfonds of the Helmholtz Association, VH-NG-423 ; Approved Most recent IF: 4.279  
  Call Number EMAT @ emat @ c:irua:142346UA @ admin @ c:irua:142346 Serial 4553  
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Author Barreca, D.; Carraro, G.; Gasparotto, A.; Maccato, C.; Altantzis, T.; Sada, C.; Kaunisto, K.; Ruoko, T.-P.; Bals, S. pdf  url
doi  openurl
  Title Vapor Phase Fabrication of Nanoheterostructures Based on ZnO for Photoelectrochemical Water Splitting Type A1 Journal article
  Year 2017 Publication Advanced Materials Interfaces Abbreviated Journal Adv Mater Interfaces  
  Volume 4 Issue 4 Pages 1700161  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Nanoheterostructures based on metal oxide semiconductors have emerged

as promising materials for the conversion of sunlight into chemical energy.

In the present study, ZnO-based nanocomposites have been developed by

a hybrid vapor phase route, consisting in the chemical vapor deposition

of ZnO systems on fluorine-doped tin oxide substrates, followed by the

functionalization with Fe2O3 or WO3 via radio frequency-sputtering. The

target systems are subjected to thermal treatment in air both prior and after

sputtering, and their properties, including structure, chemical composition,

morphology, and optical absorption, are investigated by a variety of characterization

methods. The obtained results evidence the formation of highly

porous ZnO nanocrystal arrays, conformally covered by an ultrathin Fe2O3

or WO3 overlayer. Photocurrent density measurements for solar-triggered

water splitting reveal in both cases a performance improvement with respect

to bare zinc oxide, that is mainly traced back to an enhanced separation of

photogenerated charge carriers thanks to the intimate contact between the

two oxides. This achievement can be regarded as a valuable result in view of

future optimization of similar nanoheterostructured photoanodes.
 
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000411525700007 Publication Date 2017-05-15  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 2196-7350 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.279 Times cited 30 Open Access OpenAccess  
  Notes The authors kindly acknowledge the financial support under Padova University ex-60% 2013–2016, P-DiSC #SENSATIONAL BIRD2016- UNIPD projects and the post-doc fellowship ACTION. S.B. acknowledges financial support from the European Research Council (Starting Grant No. COLOURATOM 335078) and T.A. acknowledges funding from the Research Foundation Flanders (FWO, Belgium) through a postdoctoral grant. Many thanks are also due to Dr. Rosa Calabrese (Department of Chemistry, Padova University, Italy) for experimental assistance. (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); saraecas; ECAS_Sara; Approved Most recent IF: 4.279  
  Call Number EMAT @ emat @c:irua:146104UA @ admin @ c:irua:146104 Serial 4731  
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