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Author Horzum, S.; Torun, E.; Serin, T.; Peeters, F.M.
Title Structural, electronic and optical properties of Cu-doped ZnO : experimental and theoretical investigation Type A1 Journal article
Year 2016 Publication Philosophical magazine Abbreviated Journal Philos Mag
Volume 96 Issue 96 Pages 1743-1756
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract Experiments are supplemented with ab initio density functional theory (DFT) calculations in order to investigate how the structural, electronic and optical properties of zinc oxide (ZnO) thin films are modified upon Cu doping. Changes in characteristic properties of doped thin films, that are deposited on a glass substrate by sol-gel dip coating technique, are monitored using X-ray diffraction (XRD) and UV measurements. Our ab initio calculations show that the electronic structure of ZnO can be well described by DFT+U/G(0)W(0) method and we find that Cu atom substitutional doping in ZnO is the most favourable case. Our XRD measurements reveal that the crystallite size of the films decrease with increasing Cu doping. Moreover, we determine the optical constants such as refractive index, extinction coefficient, optical dielectric function and optical energy band gap values of the films by means of UV-Vis transmittance spectra. The optical band gap of ZnO the thin film linearly decreases from 3.25 to 3.20 eV at 5% doping. In addition, our calculations reveal that the electronic defect states that stem from Cu atoms are not optically active and the optical band gap is determined by the ZnO band edges. Experimentally observed structural and optical results are in good agreement with our theoretical results.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000376076500002 Publication Date 2016-05-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1478-6435 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.505 Times cited 29 Open Access
Notes ; Theoretical part of this work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem foundation of the Flemish government. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure), and HPC infrastructure of the University of Antwerp (CalcUA) a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules foundation. Experimental part of this work was supported by Ankara University BAP under Project Number [14B0443001]. ; Approved Most recent IF: 1.505
Call Number (down) UA @ lucian @ c:irua:134161 Serial 4254
Permanent link to this record
 
 
Author Ghorbanfekr-Kalashami, H.; Neek-Amal, M.; Peeters, F.M.
Title N-doped graphene : polarization effects and structural properties Type A1 Journal article
Year 2016 Publication Physical review B Abbreviated Journal Phys Rev B
Volume 93 Issue 93 Pages 174112
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The structural and mechanical properties of N-doped graphene (NG) are investigated using reactive force field (ReaxFF) potentials in large-scale molecular dynamics simulations. We found that ripples, which are induced by the dopants, change the roughness of NG, which depends on the number of dopants and their local arrangement. For any doping ratio N/C, the NG becomes ferroelectric with a net dipole moment. The formation energy increases nonlinearly with N/C ratio, while the Young's modulus, tensile strength, and intrinsic strain decrease with the number of dopants. Our results for the structural deformation and the thermoelectricity of the NG sheet are in good agreement with recent experiments and ab initio calculations.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000376245900002 Publication Date 2016-05-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2469-9950;2469-9969; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 15 Open Access
Notes ; This work was supported by the ESF-Eurographene project CONGRAN, and the Flemish Science Foundation (FWO-Vl). ; Approved Most recent IF: 3.836
Call Number (down) UA @ lucian @ c:irua:134148 Serial 4212
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Author Orlova, N.
Title Emergent phenomena in superconductors and superfluids with multicomponent quantum condensates Type Doctoral thesis
Year 2016 Publication Abbreviated Journal
Volume Issue Pages
Keywords Doctoral thesis; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Antwerpen Editor
Language Wos Publication Date
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number (down) UA @ lucian @ c:irua:134094 Serial 4172
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Author Meledina, M.
Title Advanced electron microscopy characterization of catalysts Type Doctoral thesis
Year 2016 Publication Abbreviated Journal
Volume Issue Pages
Keywords Doctoral thesis; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Antwerpen Editor
Language Wos Publication Date
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number (down) UA @ lucian @ c:irua:133788 Serial 4135
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Author Lebedev, O.I.; Turner, S.; Caignaert, V.; Cherepanov, V.A.; Raveau, B.
Title Exceptional layered ordering of cobalt and iron in perovskites Type A1 Journal article
Year 2016 Publication Chemistry of materials Abbreviated Journal Chem Mater
Volume 28 Issue 28 Pages 2907-2911
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000375810400005 Publication Date 2016-04-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0897-4756;1520-5002; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 9.466 Times cited 4 Open Access
Notes Approved Most recent IF: 9.466
Call Number (down) UA @ lucian @ c:irua:133640 Serial 4178
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Author Lemoine, G.; Delannay, L.; Idrissi, H.; Colla, M.-S.; Pardoen, T.
Title Dislocation and back stress dominated viscoplasticity in freestanding sub-micron Pd films Type A1 Journal article
Year 2016 Publication Acta materialia Abbreviated Journal Acta Mater
Volume 111 Issue 111 Pages 10-21
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract A dislocation-based crystal plasticity model is developed in order to study the mechanical and creep/ relaxation behaviour of polycrystalline metallic thin films. The model accounts for the confinement of plasticity due to grain boundaries and for the anisotropy of individual grains, as well as for the significant viscoplastic effects associated to dislocation dominated thermally activated mechanisms. Numerical predictions are assessed based on experimental tensile test followed by relaxation on freestanding Pd films, based on an on-chip test technique. The dislocation-based mechanism assumption captures all the experimental trends, including the stress strain response, the relaxation behaviour and the dislocation density evolution, confirming the dominance of a dislocation driven deformation mechanism for the present Pd films with high defects density. The model has also been used to address some original experimental evidences involving back stresses, Bauschinger effect, backward creep and strain recovery. (C) 2016 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Oxford Editor
Language Wos 000375812100002 Publication Date 2016-03-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1359-6454 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 5.301 Times cited 6 Open Access
Notes Approved Most recent IF: 5.301
Call Number (down) UA @ lucian @ c:irua:133636 Serial 4162
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Author Ilin, A.; Martyshov, M.; Forsh, E.; Forsh, P.; Rumyantseva, M.; Abakumov, A.; Gaskov, A.; Kashkarov, P.
Title UV effect on NO2 sensing properties of nanocrystalline In2O3 Type A1 Journal article
Year 2016 Publication Sensors and actuators : B : chemical Abbreviated Journal Sensor Actuat B-Chem
Volume 231 Issue 231 Pages 491-496
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Nanocrystalline indium oxide films with extremely small grains in range of 7-40 nm are prepared by sol-gel method. The influence of grain size on the sensitivity of indium oxide to nitrogen dioxide in low concentration at room temperature is investigated under the UV illumination and without illumination. The sensitivity increases with the decrease of grain sizes when In2O3 is illuminated while in the dark In2O3 with intermediate grain size exhibits the highest response. An explanation of the different behavior of the In2O3 with different grain size sensitivity to NO2 under illumination and in the dark is proposed. We demonstrate that pulsed illumination may be used for NO2 detection at room temperature that significantly reduces the power consumption of sensor. (C) 2016 Elsevier B.V. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Lausanne Editor
Language Wos 000374330900055 Publication Date 2016-03-16
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0925-4005 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 5.401 Times cited 27 Open Access
Notes Approved Most recent IF: 5.401
Call Number (down) UA @ lucian @ c:irua:133630 Serial 4273
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Author Felgen, N.; Naydenov, B.; Turner, S.; Jelezko, F.; Reithmaier, J.P.; Popov, C.
Title Incorporation and study of SiV centers in diamond nanopillars Type A1 Journal article
Year 2016 Publication Diamond and related materials Abbreviated Journal Diam Relat Mater
Volume 64 Issue 64 Pages 64-69
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract We report on the incorporation of SiV centers during hot filament chemical vapor deposition of diamond on top of diamond nanopillars with diameters down to 100 nm. The nanopillars themselves were prepared from nano crystalline diamond films by applying electron beam lithography and inductively coupled plasma reactive ion etching. The optical investigations revealed the presence of ensembles of SiV color centers incorporated during the overgrowth step. (C) 2016 Elsevier B.V. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000374608100009 Publication Date 2016-01-16
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0925-9635 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.561 Times cited 14 Open Access
Notes Approved Most recent IF: 2.561
Call Number (down) UA @ lucian @ c:irua:133623 Serial 4193
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Author Zarenia, M.; Perali, A.; Peeters, F.M.; Neilson, D.
Title Large gap electron-hole superfluidity and shape resonances in coupled graphene nanoribbons Type A1 Journal article
Year 2016 Publication Scientific reports Abbreviated Journal Sci Rep-Uk
Volume 6 Issue 6 Pages 24860
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract We predict enhanced electron-hole superfluidity in two coupled electron-hole armchair-edge terminated graphene nanoribbons separated by a thin insulating barrier. In contrast to graphene monolayers, the multiple subbands of the nanoribbons are parabolic at low energy with a gap between the conduction and valence bands, and with lifted valley degeneracy. These properties make screening of the electron-hole interaction much weaker than for coupled electron-hole monolayers, thus boosting the pairing strength and enhancing the superfluid properties. The pairing strength is further boosted by the quasi one-dimensional quantum confinement of the carriers, as well as by the large density of states near the bottom of each subband. The latter magnifies superfluid shape resonances caused by the quantum confinement. Several superfluid partial condensates are present for finite-width nanoribbons with multiple subbands. We find that superfluidity is predominately in the strongly-coupled BEC and BCS-BEC crossover regimes, with large superfluid gaps up to 100 meV and beyond. When the gaps exceed the subband spacing, there is significant mixing of the subbands, a rounding of the shape resonances, and a resulting reduction in the one-dimensional nature of the system.
Address
Corporate Author Thesis
Publisher Nature Publishing Group Place of Publication London Editor
Language Wos 000374654500002 Publication Date 2016-04-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2045-2322 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.259 Times cited 7 Open Access
Notes ; M.Z. acknowledges support by the Flemish Science Foundation (FWO-Vl), the University Research Fund (BOF), and the European Science Foundation (POLATOM). A.P. and D.N. acknowledge support by the University of Camerino FAR project CESEMN. The authors thank the colleagues involved in the MultiSuper International Network (http://www.multisuper.org) for exchange of ideas and suggestions for this work. ; Approved Most recent IF: 4.259
Call Number (down) UA @ lucian @ c:irua:133619 Serial 4201
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Author Sivek, J.; Sahin, H.; Partoens, B.; Peeters, F.M.
Title Giant magnetic anisotropy in doped single layer molybdenum disulfide and fluorographene Type A1 Journal article
Year 2016 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat
Volume 28 Issue 28 Pages 195301
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Stable monolayer materials based on existing, well known and stable two-dimensional crystal fluorographene and molybdenum disulfide are predicted to exhibit a huge magnetocrystalline anisotropy when functionalized with adsorbed transition metal atoms at vacant sides. Ab initio calculations within the density-functional theory formalism were performed to investigate the adsorption of the transitional metals in a single S (or F) vacancy of monolayer molybdenum disulfide (or fluorographene). We found strong bonding of the transitional metal atoms to the vacant sites with binding energies ranging from 2.5 to 5.2 eV. Our calculations revealed that these systems with adsorbed metal atoms exhibit a magnetic anisotropy, specifically the structures including Os and Ir show a giant magnetocrystalline anisotropy energy of 31-101 meV. Our results demonstrate the possibility of obtaining stable monolayer materials with huge magnetocrystalline anisotropy based on preexisting, well known and stable two-dimensional crystals: fluorographene and molybdenum disulfide. We believe that the results obtained here are useful not only for deeper understanding of the origin of magnetocrystalline anisotropy but also for the design of monolayer optoelectronic devices with novel functionalities.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000374394700007 Publication Date 2016-04-13
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 2.649 Times cited 7 Open Access
Notes Approved Most recent IF: 2.649
Call Number (down) UA @ lucian @ c:irua:133611 Serial 4185
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Author Cukaric, N.A.; Partoens, B.; Tadic, M.Z.; Arsoski, V.V.; Peeters, F.M.
Title The 30-band k . p theory of valley splitting in silicon thin layers Type A1 Journal article
Year 2016 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat
Volume 28 Issue 28 Pages 195303
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The valley splitting of the conduction-band states in a thin silicon-on-insulator layer is investigated using the 30-band k . p theory. The system composed of a few nm thick Si layer embedded within thick SiO2 layers is analyzed. The valley split states are found to cross periodically with increasing quantum well width, and therefore the energy splitting is an oscillatory function of the quantum well width, with period determined by the wave vector K-0 of the conduction band minimum. Because the valley split states are classified by parity, the optical transition between the ground hole state and one of those valley split conduction band states is forbidden. The oscillations in the valley splitting energy decrease with electric field and with smoothing of the composition profile between the well and the barrier by diffusion of oxygen from the SiO2 layers to the Si quantum well. Such a smoothing also leads to a decrease of the interband transition matrix elements. The obtained results are well parametrized by the effective two-valley model, but are found to disagree from previous 30-band calculations. This discrepancy could be traced back to the fact that the basis for the numerical solution of the eigenproblem must be restricted to the first Brillouin zone in order to obtain quantitatively correct results for the valley splitting.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000374394700009 Publication Date 2016-04-19
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 2.649 Times cited Open Access
Notes ; This work was supported by the Ministry of Education, Science, and Technological Development of Serbia, the Flemish fund for Scientific Research (FWO-Vl), and the Methusalem programme of the Flemish government. ; Approved Most recent IF: 2.649
Call Number (down) UA @ lucian @ c:irua:133610 Serial 4261
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Author Paolella, A.; Turner, S.; Bertoni, G.; Hovington, P.; Flacau, R.; Boyer, C.; Feng, Z.; Colombo, M.; Marras, S.; Prato, M.; Manna, L.; Guerfi, A.; Demopoulos, G.P.; Armand, M.; Zaghib, K.;
Title Accelerated removal of Fe-antisite defects while nanosizing hydrothermal LiFePO4 with Ca2+ Type A1 Journal article
Year 2016 Publication Nano letters Abbreviated Journal Nano Lett
Volume 16 Issue 16 Pages 2692-2697
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Based on neutron powder diffraction (NPD) and high angle annular dark field scanning transmission electron microscopy (HAADF-STEM), we show that calcium ions help eliminate the Fe-antisite defects by controlling the nucleation and evolution of the LiFePO4 particles during their hydrothermal synthesis. This Ca-regulated formation of LiFePO4 particles has an overwhelming impact on the removal of their iron antisite defects during the subsequent carbon coating step since (i) almost all the Fe-antisite defects aggregate at the surface of the LiFePO4 crystal when the crystals are small enough and (ii) the concomitant increase of the surface area, which further exposes the Fe-antisite defects. Our results not only justify a low-cost, efficient and reliable hydrothermal synthesis method for LiFePO4 but also provide a promising alternative viewpoint on the mechanism controlling the nanosizing of LiFePO4, which leads to improved electrochemical performances.
Address
Corporate Author Thesis
Publisher Place of Publication Washington Editor
Language Wos 000374274600084 Publication Date 2016-03-11
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1530-6984 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 12.712 Times cited 30 Open Access
Notes Approved Most recent IF: 12.712
Call Number (down) UA @ lucian @ c:irua:133600 Serial 4134
Permanent link to this record
 
 
Author Van Duppen, B.
Title Plasmonics in graphene and related materials Type Doctoral thesis
Year 2016 Publication Abbreviated Journal
Volume Issue Pages
Keywords Doctoral thesis; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Antwerpen Editor
Language Wos Publication Date
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number (down) UA @ lucian @ c:irua:133554 Serial 4226
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Author Huvé, M.; Van Tendeloo, G.; Amelinckx, S.; Hervieu, M.; Raveau, B.
Title Structural aspects of modulated superconducting oxides: application to Hg1-xTlxSr4-yBayCu2CO3O7-\delta Type A1 Journal article
Year 1995 Publication Journal of solid state chemistry Abbreviated Journal J Solid State Chem
Volume 120 Issue Pages 332-342
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos A1995TN20700018 Publication Date 2002-10-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-4596; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.133 Times cited 2 Open Access
Notes Approved
Call Number (down) UA @ lucian @ c:irua:13327 Serial 3209
Permanent link to this record
 
 
Author Mirzakhani, M.; Zarenia, M.; Ketabi, S.A.; da Costa, D.R.; Peeters, F.M.
Title Energy levels of hybrid monolayer-bilayer graphene quantum dots Type A1 Journal article
Year 2016 Publication Physical review B Abbreviated Journal Phys Rev B
Volume 93 Issue 93 Pages 165410
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Often real samples of graphene consist of islands of both monolayer and bilayer graphene. Bound states in such hybrid quantum dots are investigated for (i) a circular single-layer graphene quantum dot surrounded by an infinite bilayer graphene sheet and (ii) a circular bilayer graphene quantum dot surrounded by an infinite single-layer graphene. Using the continuum model and applying zigzag boundary conditions at the single-layer-bilayer graphene interface, we obtain analytical results for the energy levels and the corresponding wave spinors. Their dependence on perpendicular magnetic and electric fields are studied for both types of quantum dots. The energy levels exhibit characteristics of interface states, and we find anticrossings and closing of the energy gap in the presence of a bias potential.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000373572700004 Publication Date 2016-04-09
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2469-9950;2469-9969; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 26 Open Access
Notes ; This work was supported by the Fonds Wetenschappelijk Onderzoek (FWO)-CNPq project between Flanders and Brazil and the Brazilian Science Without Borders program. ; Approved Most recent IF: 3.836
Call Number (down) UA @ lucian @ c:irua:133261 Serial 4174
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Author Craco, L.; Carara, S.S.; da Silva Pereira, T.A.; Milošević, M.V.
Title Electronic states in an atomistic carbon quantum dot patterned in graphene Type A1 Journal article
Year 2016 Publication Physical review B Abbreviated Journal Phys Rev B
Volume 93 Issue 93 Pages 155417
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We reveal the emergence of metallicKondo clouds in an atomistic carbon quantum dot, realized as a single-atom junction in a suitably patterned graphene nanoflake. Using density functional dynamical mean-field theory (DFDMFT) we show how correlation effects lead to striking features in the electronic structure of our device, and how those are enhanced by the electron-electron interactions when graphene is patterned at the atomistic scale. Our setup provides a well-controlled environment to understand the principles behind the orbital-selective Kondo physics and the interplay between orbital and spin degrees of freedom in carbon-based nanomaterials, which indicate new pathways for spintronics in atomically patterned graphene.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000373760900004 Publication Date 2016-04-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2469-9950;2469-9969; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 6 Open Access
Notes ; L.C.'s work is supported by CNPq (Proc. No. 307487/2014-8). Acknowledgment (L.C.) is also made to G. Seifert for discussions and the Department of Theoretical Chemistry at Technical University Dresden for hospitality. T.A.S.P. thanks PRONEX/CNPq/FAPEMAT 850109/2009 for financial support. M.V.M. acknowledges support from Research Foundation-Flanders (FWO), TOPBOF, and the CAPES-PVE program. ; Approved Most recent IF: 3.836
Call Number (down) UA @ lucian @ c:irua:133260 Serial 4171
Permanent link to this record
 
 
Author Milat, O.; Van Tendeloo, G.; Amelinckx, S.; Wright, A.J.; Greaves, C.
Title Effect of the substitution Ba\leftrightarrow Sr on the Ga-1222 superstructure : an electron diffraction study Type A1 Journal article
Year 1995 Publication Chemistry of materials Abbreviated Journal Chem Mater
Volume 7 Issue 9 Pages 1709-1715
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The superstructure of the RE(2)(Sr0.85-xBaxNd0.15)(2)GaCU2O9 compound is found to change significantly with increasing substitution of Ba for Sr. Most of the changes take place in the (Sr0.85-xBaxNd0.15)O-GaO-(Sr0.85-xBaxNd0.15)O lamella, the rest of the basic structure being hardly affected. The structural changes for O less than or equal to x less than or equal to 0.65 are studied by electron diffraction. The arrangement of the chains of GaO4 tetrahedra in the Ba-free compound becomes disordered at x > 0.25. At x similar to 0.65 a rearrangement of the chains in the GaO layers takes place; they form a meandering arrangement, which can be described on a 4a(p) x 2a(p) x c(p) superlattice. This rearrangement is accompanied by ordering of Ba and Sr atoms in the adjacent (ST0.85-xBaxNd0.15)O layers. A simple scheme is proposed to explain the influence of the substitution of Ba for Sr on the linking of the GaO4 tetrahedra and on the geometry of the ''chains'' in the GaO layer.
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor
Language Wos A1995RW21200021 Publication Date 2005-03-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0897-4756;1520-5002; ISBN Additional Links UA library record; WoS full record
Impact Factor 8.354 Times cited Open Access
Notes Approved no
Call Number (down) UA @ lucian @ c:irua:13326 Serial 850
Permanent link to this record
 
 
Author Zanaga, D.; Altantzis, T.; Sanctorum, J.; Freitag, B.; Bals, S.
Title An alternative approach for \zeta-factor measurement using pure element nanoparticles Type A1 Journal article
Year 2016 Publication Ultramicroscopy Abbreviated Journal Ultramicroscopy
Volume 164 Issue Pages 11-16
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract It is very challenging to measure the chemical composition of hetero nanostructures in a reliable and quantitative manner. Here, we propose a novel and straightforward approach that can be used to quantify energy dispersive X-ray spectra acquired in a transmission electron microscope. Our method is based on a combination of electron tomography and the so-called zeta-factor technique. We will demonstrate the reliability of our approach as well as its applicability by investigating Au-Ag and Au-Pt hetero nanostructures. Given its simplicity, we expect that the method could become a new standard in the field of chemical characterization using electron microscopy. (C) 2016 Elsevier B.V. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000373526200002 Publication Date 2016-03-10
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0304-3991 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.843 Times cited 19 Open Access OpenAccess
Notes ; The authors acknowledge financial support from the European Research Council (ERC Starting Grant # 335078-COLOURATOMS) and the European Union under the FP7 (Integrated Infrastructure Initiative N. 312483 – ESTEEM2). ; ecas_Sara Approved Most recent IF: 2.843
Call Number (down) UA @ lucian @ c:irua:133259 Serial 4439
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Author Nistor, L.; Van Tendeloo, G.; Amelinckx, S.; Kahlenberg, V.; Böhm, H.
Title In situ study of the phase transition in Bi2Ti4O11 Type A1 Journal article
Year 1995 Publication Journal of solid state chemistry Abbreviated Journal J Solid State Chem
Volume 119 Issue Pages 281-288
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos A1995TC99800008 Publication Date 2003-01-09
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-4596; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.133 Times cited 10 Open Access
Notes Approved no
Call Number (down) UA @ lucian @ c:irua:13325 Serial 1584
Permanent link to this record
 
 
Author Dhayalan, S.K.; Kujala, J.; Slotte, J.; Pourtois, G.; Simoen, E.; Rosseel, E.; Hikavyy, A.; Shimura, Y.; Iacovo, S.; Stesmans, A.; Loo, R.; Vandervorst, W.;
Title On the manifestation of phosphorus-vacancy complexes in epitaxial Si:P films Type A1 Journal article
Year 2016 Publication Applied physics letters Abbreviated Journal Appl Phys Lett
Volume 108 Issue 108 Pages 082106
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract In situ doped epitaxial Si: P films with P concentrations > 1 x 10(21) at./cm(3) are suitable for source-drain stressors of n-FinFETs. These films combine the advantages of high conductivity derived from the high P doping with the creation of tensile strain in the Si channel. It has been suggested that the tensile strain developed in the Si: P films is due to the presence of local Si3P4 clusters, which however do not contribute to the electrical conductivity. During laser annealing, the Si3P4 clusters are expected to disperse resulting in an increased conductivity while the strain reduces slightly. However, the existence of Si3P4 is not proven. Based on first-principles simulations, we demonstrate that the formation of vacancy centered Si3P4 clusters, in the form of four P atoms bonded to a Si vacancy, is thermodynamically favorable at such high P concentrations. We suggest that during post epi-growth annealing, a fraction of the P atoms from these clusters are activated, while the remaining part goes into interstitial sites, thereby reducing strain. We corroborate our conjecture experimentally using positron annihilation spectroscopy, electron spin resonance, and Rutherford backscattering ion channeling studies. (C) 2016 AIP Publishing LLC.
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000373057000023 Publication Date 2016-02-24
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0003-6951; 1077-3118 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.411 Times cited 9 Open Access
Notes Approved Most recent IF: 3.411
Call Number (down) UA @ lucian @ c:irua:133245 Serial 4217
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Author Mefford, J.T.; Rong, X.; Abakumov, A.M.; Hardin, W.G.; Dai, S.; Kolpak, A.M.; Johnston, K.P.; Stevenson, K.J.
Title Water electrolysis on La1-xSrxCoO3-\delta perovskite electrocatalysts Type A1 Journal article
Year 2016 Publication Nature communications Abbreviated Journal Nat Commun
Volume 7 Issue 7 Pages 11053
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Perovskite oxides are attractive candidates as catalysts for the electrolysis of water in alkaline energy storage and conversion systems. However, the rational design of active catalysts has been hampered by the lack of understanding of the mechanism of water electrolysis on perovskite surfaces. Key parameters that have been overlooked include the role of oxygen vacancies, B-O bond covalency, and redox activity of lattice oxygen species. Here we present a series of cobaltite perovskites where the covalency of the Co-O bond and the concentration of oxygen vacancies are controlled through Sr2+ substitution into La1 – xSrxCoO3 – delta. We attempt to rationalize the high activities of La1 – xSrxCoO3 – delta through the electronic structure and participation of lattice oxygen in the mechanism of water electrolysis as revealed through ab initio modelling. Using this approach, we report a material, SrCoO2.7, with a high, room temperature-specific activity and mass activity towards alkaline water electrolysis.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000372721700001 Publication Date 2016-03-23
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2041-1723 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 12.124 Times cited 278 Open Access
Notes Financial support for this work was provided by the R.A. Welch Foundation (grants F-1529 and F-1319). X.R. and A.M.K. acknowledge support from the Skoltech-MIT Center for Electrochemical Energy Storage. Computations were performed using computational resources from XSEDE and NERSC. S.D. was supported as part of the Fluid Interface Reactions, Structures and Transport (FIRST) Center, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, and Office of Basic Energy Sciences. We thank D.W. Redman for help with the RHE measurements. Approved Most recent IF: 12.124
Call Number (down) UA @ lucian @ c:irua:133242 Serial 4276
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Author Verbist, K.; Vasiliev, A.L.; Van Tendeloo, G.
Title Y2O3 inclusions in YBa2Cu3O7-\delta thin films Type A1 Journal article
Year 1995 Publication Applied physics letters Abbreviated Journal Appl Phys Lett
Volume 66 Issue 11 Pages 1424-1426
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Nanoprecipitates in YBa2Cu3O7‐δ(YBCO) thin films have been identified by high resolution electron microscopy (HREM) as Y2O3 inclusions; they correspond to two different types of epitaxial relationships namely [001] or [110] parallel to the YBCOc‐axis. The [001] precipitates are situated near the YBCO surface, in the bulk and on the YBCO film/substrate interface. The [110] precipitates have only been observed at the surface. Literature data have been reinterpreted.
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos A1995QL57700042 Publication Date 2002-07-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0003-6951; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.302 Times cited 28 Open Access
Notes Approved CHEMISTRY, PHYSICAL 54/144 Q2 # PHYSICS, ATOMIC, MOLECULAR & CHEMICAL 9/35 Q2 #
Call Number (down) UA @ lucian @ c:irua:13324 Serial 3564
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Author Yang, S.; Kang, J.; Yue, Q.; Coey, J.M.D.; Jiang, C.
Title Defect-modulated transistors and gas-enhanced photodetectors on ReS2 nanosheets Type A1 Journal article
Year 2016 Publication Advanced Materials Interfaces Abbreviated Journal Adv Mater Interfaces
Volume 3 Issue 3 Pages 1500707
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000373149400011 Publication Date 2016-01-18
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2196-7350; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.279 Times cited 22 Open Access
Notes ; This work was supported by the National Natural Science Foundations of China (NSFC) under Grant No.51331001. The authors thank S. Tongay for giving them the ReS<INF>2</INF> crystals. ; Approved Most recent IF: 4.279
Call Number (down) UA @ lucian @ c:irua:133232 Serial 4159
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Author Radaelli, P.G.; Marezio, M.; Tholence, J.L.; de Brion, S.; Santoro, A.; Huang, Q.; Capponi, J.J.; Chaillout, C.; Krekels, T.; Van Tendeloo, G.
Title Crystal structure of the double Hg-layer copper oxide superconductor (Hg, Pr)2Ba2(Y, Ca)Cu2O8-\delta as a function of doping Type A1 Journal article
Year 1995 Publication The journal of physics and chemistry of solids Abbreviated Journal J Phys Chem Solids
Volume 56 Issue 10 Pages 1471-1478
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos A1995RR95600025 Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-3697 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.853 Times cited 16 Open Access
Notes Approved no
Call Number (down) UA @ lucian @ c:irua:13323 Serial 573
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Author Ardashnikova, E.I.; Lubarsky, S.V.; Denisenko, D.I.; Shpanchenko, R.V.; Antipov, E.V.; Van Tendeloo, G.
Title A new way of synthesis and characterization of superconducting oxyfluoride Sr2Cu(O,F)4+\delta Type A1 Journal article
Year 1995 Publication Physica: C : superconductivity Abbreviated Journal Physica C
Volume 253 Issue 3/4 Pages 259-265
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Superconducting Cu mixed oxyfluoride, Sr,Cu(O, F)(4+delta), was Obtained via fluorination of Sr2CuO3 by XeF2 in the 100-250 degrees C temperature range in a closed Ni container. The prepared samples exhibited a lower T-c in comparison with earlier reported values. Different samples in the Sr-Cu-O-F system were prepared by a solid-state reaction at 220-400 degrees C, but no formation of the oxyfluoride was detected even with an addition of xenon difluoride. These data allow one to draw conclusions on the metastability of the oxyfluoride under the conditions used, Electron microscopy and X-ray powder diffraction studies revealed large amounts of badly crystallized SrF2; this could be a reason for the small superconducting volume fraction as well as for the inhomogeneous distribution of the anions.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos A1995TE08400007 Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0921-4534 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 0.942 Times cited 29 Open Access
Notes Approved PHYSICS, APPLIED 28/145 Q1 #
Call Number (down) UA @ lucian @ c:irua:13322 Serial 2337
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Author Topalovic, D.B.; Arsoski, V.V.; Pavlovic, S.; Cukaric, N.A.; Tadic, M.Z.; Peeters, F.M.
Title On improving accuracy of finite-element solutions of the effective-mass Schrodinger equation for interdiffused quantum wells and quantum wires Type A1 Journal article
Year 2016 Publication Communications in theoretical physics Abbreviated Journal Commun Theor Phys
Volume 65 Issue 1 Pages 105-113
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We use the Galerkin approach and the finite-element method to numerically solve the effective-mass Schrodinger equation. The accuracy of the solution is explored as it varies with the range of the numerical domain. The model potentials are those of interdiffused semiconductor quantum wells and axially symmetric quantum wires. Also, the model of a linear harmonic oscillator is considered for comparison reasons. It is demonstrated that the absolute error of the electron ground state energy level exhibits a minimum at a certain domain range, which is thus considered to be optimal. This range is found to depend on the number of mesh nodes N approximately as alpha(0) log(e)(alpha 1) (alpha N-2), where the values of the constants alpha(0), alpha(1), and alpha(2) are determined by fitting the numerical data. And the optimal range is found to be a weak function of the diffusion length. Moreover, it was demonstrated that a domain range adaptation to the optimal value leads to substantial improvement of accuracy of the solution of the Schrodinger equation.
Address
Corporate Author Thesis
Publisher Place of Publication Wallingford Editor
Language Wos Publication Date
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0253-6102; 1572-9494 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 0.989 Times cited Open Access
Notes Approved Most recent IF: 0.989
Call Number (down) UA @ lucian @ c:irua:133213 Serial 4216
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Author Marezio, M.; Alexandre, E.T.; Bordet, P.; Capponi, J.-J.; Chaillout, C.; Kopnin, E.M.; Loureiro, S.M.; Radaelli, P.G.; Van Tendeloo, G.
Title Cation and anion disorder in HbBa2Can-1CunO2n+2+\delta Type A1 Journal article
Year 1995 Publication Journal of superconductivity Abbreviated Journal
Volume 8 Issue 4 Pages
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos A1995RU78500030 Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0896-1107 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 4 Open Access
Notes Approved MATERIALS SCIENCE, MULTIDISCIPLINARY 96/271 Q2 #
Call Number (down) UA @ lucian @ c:irua:13321 Serial 295
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Author Verreck, D.; Verhulst, A.S.; Van de Put, M.L.; Sorée, B.; Collaert, N.; Mocuta, A.; Thean, A.; Groeseneken, G.
Title Uniform strain in heterostructure tunnel field-effect transistors Type A1 Journal article
Year 2016 Publication IEEE electron device letters Abbreviated Journal Ieee Electr Device L
Volume 37 Issue 37 Pages 337-340
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Strain can strongly impact the performance of III-V tunnel field-effect transistors (TFETs). However, previous studies on homostructure TFETs have found an increase in ON-current to be accompanied with a degradation of subthreshold swing. We perform 30-band quantum mechanical simulations of staggered heterostructure p-n-i-n TFETs submitted to uniaxial and biaxial uniform stress and find the origin of the subthreshold degradation to be a reduction of the density of states in the strained case. We apply an alternative configuration including a lowly doped pocket in the source, which allows to take full benefit of the strain-induced increase in ON-current.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000372372100026 Publication Date 2016-01-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0741-3106 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.048 Times cited 17 Open Access
Notes ; This work was supported by the imec Industrial Affiliation Program. The work of D. Verreck was supported by the Agency for Innovation by Science and Technology in Flanders. The review of this letter was arranged by Editor Z. Chen. ; Approved Most recent IF: 3.048
Call Number (down) UA @ lucian @ c:irua:133207 Serial 4271
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Author Frota, D.A.; Chaves, A.; Ferreira, W.P.; Farias, G.A.; Milošević, M.V.
Title Superconductor-ferromagnet bilayer under external drive : the role of vortex-antivortex matter Type A1 Journal article
Year 2016 Publication Journal of applied physics Abbreviated Journal J Appl Phys
Volume 119 Issue 119 Pages 093912
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Using advanced Ginzburg-Landau simulations, we study the superconducting state of a thin superconducting film under a ferromagnetic layer, separated by an insulating oxide, in applied external magnetic field and electric current. The taken uniaxial ferromagnet is organized into a series of parallel domains with alternating polarization of out-of-plane magnetization, sufficiently strong to induce vortex-antivortex pairs in the underlying superconductor in absence of other magnetic field. We show the organization of such vortex-antivortex matter into rich configurations, some of which are not matching the periodicity of the ferromagnetic film. The variety of possible configurations is enhanced by applied homogeneous magnetic field, where additional vortices in the superconductor may lower the energy of the system by either annihilating the present antivortices under negative ferromagnetic domains or by lowering their own energy after positioning under positive ferromagnetic domains. As a consequence, both the vortex-antivortex reordering in increasing external field and the evolution of the energy of the system are highly nontrivial. Finally, we reveal the very interesting effects of applied dc electric current on the vortex-antivortex configurations, since resulting Lorentzian force has opposite direction for vortices and antivortices, while direction of the applied current with respect to ferromagnetic domains is of crucial importance for the interaction of the applied and the Meissner current, as well as the consequent vortex-antivortex dynamics-both of which are reflected in the anisotropic critical current of the system. (C) 2016 AIP Publishing LLC.
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000372351900018 Publication Date 2016-03-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-8979; 1089-7550 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.068 Times cited 4 Open Access
Notes ; This work was supported by the Brazilian agencies CNPq, PRONEX/FUNCAP, and CAPES, and the Research Foundation-Flanders (FWO). ; Approved Most recent IF: 2.068
Call Number (down) UA @ lucian @ c:irua:133200 Serial 4255
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Author Van der Donck, M.; Peeters, F.M.; Van Duppen, B.
Title Transport properties of bilayer graphene in a strong in-plane magnetic field Type A1 Journal article
Year 2016 Publication Physical review B Abbreviated Journal Phys Rev B
Volume 93 Issue 93 Pages 115423
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract A strong in-plane magnetic field drastically alters the low-energy spectrum of bilayer graphene by separating the parabolic energy dispersion into two linear Dirac cones. The effect of this dramatic change on the transport properties strongly depends on the orientation of the in-plane magnetic field with respect to the propagation direction of the charge carriers and the angle at which they impinge on the electrostatic potentials. For magnetic fields oriented parallel to the potential boundaries an additional propagating mode that results from the splitting into Dirac cones enhances the transmission probability for charge carriers tunneling through the potentials and increases the corresponding conductance. Our results show that the chiral suppression of transmission at normal incidence, reminiscent of bilayer graphene's 2 pi Berry phase, is turned into a chiral enhancement when the magnetic field increases, thus indicating a transition from a bilayer to a monolayer-like system at normal incidence. Further, we find that the typical transmission resonances stemming from confinement in a potential barrier are shifted to higher energy and are eventually transformed into antiresonances with increasing magnetic field. For magnetic fields oriented perpendicular to the potential boundaries we find a very pronounced transition from a bilayer system to two separated monolayer-like systems with Klein tunneling emerging at certain incident angles symmetric around 0, which also leaves a signature in the conductance. For both orientations of the magnetic field, the transmission probability is still correctly described by pseudospin conservation. Finally, to motivate the large in-plane magnetic field, we show that its energy spectrum can be mimicked by specific lattice deformations such as a relative shift of one of the layers. With this equivalence we introduce the notion of an in-plane pseudomagnetic field.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000372409900006 Publication Date 2016-03-21
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2469-9950;2469-9969; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 11 Open Access
Notes ; This work was supported by Fonds Wetenschappelijk Onderzoek (FWO-Vl) through an aspirant research grant to M.V.D.D. and B.V.D. ; Approved Most recent IF: 3.836
Call Number (down) UA @ lucian @ c:irua:133197 Serial 4267
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