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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 (up) 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 UA @ lucian @ c:irua:13323 Serial 573
Permanent link to this record
 

 
Author Radaelli, P.G.; Marezio, M.; Tholence, J.L.; Debrion, 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-\deltaas 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 The crystal structure of the newly discovered double-Hg-layer copper oxide superconductor (Hg, Pr)(2)Ba-2(Y, Ca)Cu2O8-delta was studied as a function of chemical doping using neutron and electron diffraction and high-resolution transmission electron microscopy (HREM). Rietveld refinements of the structural parameters from neutron powder diffraction data indicate that the oxygen site O3 on the mercury plane is highly defective, being both partially occupied and displaced from the high-symmetry position. The variable concentration of oxygen vacancies partially compensates for the cation doping and, together with the O3 displacement field, makes some of the Hg atoms acquire an unusual pyramidal coordination. HREM images confirm that the structure is of the '2212' type, with very few defects. In some grains, faint superstructure reflections were evidenced by electron diffraction, suggesting that both the oxygen vacancies and the O3 displacement field may order at least on a local scale.
  Address
  Corporate Author Thesis
  Publisher Place of Publication (up) New York, N.Y. Editor
  Language Wos A1995RR95600025 Publication Date 2002-07-26
  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 UA @ lucian @ c:irua:104423 Serial 574
Permanent link to this record
 

 
Author Mihailescu, I.N.; Gyorgy, E.; Marin, G.; Popescu, M.; Teodorescu, V.S.; van Landuyt, J.; Grivas, C.; Hatziapostolou, A.
  Title Crystalline structure of very hard tungsten carbide thin films obtained by reactive pulsed laser deposition Type A1 Journal article
  Year 1999 Publication Journal of vacuum science and technology: A: vacuum surfaces and films Abbreviated Journal J Vac Sci Technol A
  Volume 17 Issue 1 Pages 249-255
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication (up) New York, N.Y. Editor
  Language Wos 000078136300038 Publication Date 2002-07-27
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0734-2101; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 1.374 Times cited 8 Open Access
  Notes Approved Most recent IF: 1.374; 1999 IF: 1.742
  Call Number UA @ lucian @ c:irua:29689 Serial 581
Permanent link to this record
 

 
Author Gillie, L.J.; Palmer, H.M.; Wright, A.J.; Hadermann, J.; Van Tendeloo, G.; Greaves, C.
  Title Crystallographic and magnetic structures of Y0.8Sr2.2Mn2GaO8-\delta: a new vacancy-ordered perovskite structure Type A1 Journal article
  Year 2004 Publication The journal of physics and chemistry of solids Abbreviated Journal J Phys Chem Solids
  Volume 65 Issue Pages 87-93
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication (up) New York, N.Y. Editor
  Language Wos 000188127400014 Publication Date 2003-10-16
  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 2.059 Times cited 15 Open Access
  Notes Approved Most recent IF: 2.059; 2004 IF: 0.988
  Call Number UA @ lucian @ c:irua:43875 Serial 585
Permanent link to this record
 

 
Author Vodolazov, D.Y.; Peeters, F.M.; Piraux, L.; Mátéfi-Tempfli, S.; Michotte, S.
  Title Current-voltage characteristics of quasi-one-dimensional superconductors: an S-shaped curve in the constant voltage regime Type A1 Journal article
  Year 2003 Publication Physical review letters Abbreviated Journal Phys Rev Lett
  Volume 91 Issue 15 Pages 157001,1-4
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication (up) New York, N.Y. Editor
  Language Wos 000185862500037 Publication Date 2003-10-07
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0031-9007;1079-7114; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 8.462 Times cited 90 Open Access
  Notes Approved Most recent IF: 8.462; 2003 IF: 7.035
  Call Number UA @ lucian @ c:irua:69418 Serial 595
Permanent link to this record
 

 
Author Neek-Amal, M.; Peeters, F.M.
  Title Defected graphene nanoribbons under axial compression Type A1 Journal article
  Year 2010 Publication Applied physics letters Abbreviated Journal Appl Phys Lett
  Volume 97 Issue 15 Pages 153118,1-153118,3
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract The buckling of defected rectangular graphene nanoribbons when subjected to axial stress with supported boundary conditions is investigated using atomistic simulations. The buckling strain and mechanical stiffness of monolayer graphene decrease with the percentage of randomly distributed vacancies. The elasticity to plasticity transition in the stress-strain curve, at low percentage of vacancies, are found to be almost equal to the buckling strain thresholds and they decrease with increasing percentage of vacancies.
  Address
  Corporate Author Thesis
  Publisher American Institute of Physics Place of Publication (up) New York, N.Y. Editor
  Language Wos 000283216900069 Publication Date 2010-10-14
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0003-6951; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.411 Times cited 43 Open Access
  Notes ; This work was supported by the Flemish Science Foundation (WO-Vl) and the Belgian Science Policy (IAP) ; Approved Most recent IF: 3.411; 2010 IF: 3.841
  Call Number UA @ lucian @ c:irua:85789 Serial 624
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Author Berdiyorov, G.; Harrabi, K.; Mehmood, U.; Peeters, F.M.; Tabet, N.; Zhang, J.; Hussein, I.A.; McLachlan, M.A.
  Title Derivatization and diffusive motion of molecular fullerenes : ab initio and atomistic simulations Type A1 Journal article
  Year 2015 Publication Journal of applied physics Abbreviated Journal J Appl Phys
  Volume 118 Issue 118 Pages 025101
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract Using first principles density functional theory in combination with the nonequilibrium Green's function formalism, we study the effect of derivatization on the electronic and transport properties of C-60 fullerene. As a typical example, we consider [6,6]-phenyl-C-61-butyric acid methyl ester (PCBM), which forms one of the most efficient organic photovoltaic materials in combination with electron donating polymers. Extra peaks are observed in the density of states (DOS) due to the formation of new electronic states localized at/near the attached molecule. Despite such peculiar behavior in the DOS of an isolated molecule, derivatization does not have a pronounced effect on the electronic transport properties of the fullerene molecular junctions. Both C-60 and PCBM show the same response to finite voltage biasing with new features in the transmission spectrum due to voltage induced delocalization of some electronic states. We also study the diffusive motion of molecular fullerenes in ethanol solvent and inside poly(3-hexylthiophene) lamella using reactive molecular dynamics simulations. We found that the mobility of the fullerene reduces considerably due to derivatization; the diffusion coefficient of C-60 is an order of magnitude larger than the one for PCBM. (c) 2015 AIP Publishing LLC.
  Address
  Corporate Author Thesis
  Publisher American Institute of Physics Place of Publication (up) New York, N.Y. Editor
  Language Wos 000357961000036 Publication Date 2015-07-10
  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 2 Open Access
  Notes ; K.H., U.M. and I.A.H. would like to thank the National Science, Technology and Innovation Program of KACST for funding this research under Project No. 12-ENE2379-04. They also acknowledge support from KFUPM and Research Institute. ; Approved Most recent IF: 2.068; 2015 IF: 2.183
  Call Number c:irua:127098 Serial 652
Permanent link to this record
 

 
Author Bogaerts, A.; van Straaten, M.; Gijbels, R.
  Title Description of the thermalization process of the sputtered atoms in a glow discharge using a 3-dimensional Monte Carlo method Type A1 Journal article
  Year 1995 Publication Journal of applied physics Abbreviated Journal J Appl Phys
  Volume 77 Issue Pages 1868-1874
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher American Institute of Physics Place of Publication (up) New York, N.Y. Editor
  Language Wos A1995RC30300006 Publication Date 2002-07-26
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0021-8979; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.183 Times cited 87 Open Access
  Notes Approved no
  Call Number UA @ lucian @ c:irua:12270 Serial 655
Permanent link to this record
 

 
Author Reijniers, J.; Peeters, F.M.
  Title Diffusive transport in the hybrid Hall effect device Type A1 Journal article
  Year 2000 Publication Journal of applied physics Abbreviated Journal J Appl Phys
  Volume 87 Issue Pages 8088-8092
  Keywords A1 Journal article; Condensed Matter Theory (CMT); Engineering Management (ENM)
  Abstract
  Address
  Corporate Author Thesis
  Publisher American Institute of Physics Place of Publication (up) New York, N.Y. Editor
  Language Wos 000087067400075 Publication Date 2002-07-26
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0021-8979; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.068 Times cited 12 Open Access
  Notes Approved Most recent IF: 2.068; 2000 IF: 2.180
  Call Number UA @ lucian @ c:irua:28516 Serial 703
Permanent link to this record
 

 
Author Tso, H.C.; Vasilopoulos, P.; Peeters, F.M.
  Title Direct Coulomb and phonon-mediated coupling between spatially separated electron gases Type A1 Journal article
  Year 1992 Publication Physical review letters Abbreviated Journal Phys Rev Lett
  Volume 68 Issue Pages 2516-2519
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication (up) New York, N.Y. Editor
  Language Wos A1992HP80100028 Publication Date 2002-07-27
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0031-9007; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 7.512 Times cited 106 Open Access
  Notes Approved no
  Call Number UA @ lucian @ c:irua:3003 Serial 709
Permanent link to this record
 

 
Author Nistor, L.; Bender, H.; Vantomme, A.; Wu, M.F.; van Landuyt, J.; O'Donnell, K.P.; Martin, R.; Jacobs, K.; Moerman, I.
  Title Direct evidence of spontaneous quantum dot formation in a thick InGaN epilayer Type A1 Journal article
  Year 2000 Publication Applied physics letters Abbreviated Journal Appl Phys Lett
  Volume 77 Issue 4 Pages 507-509
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract We report a direct observation of quantum dots formed spontaneously in a thick InGaN epilayer by high resolution transmission electron microscopy. Investigation of a (280 nm thick) In0.22Ga0.78N single layer, emitting in the blue/green spectral region, reveals quantum dots with estimated sizes in the range of 1.5-3 nm. Such sizes are in very good agreement with calculations based on the luminescence spectra of this specimen. (C) 2000 American Institute of Physics. [S0003-6951(00)00930-X].
  Address
  Corporate Author Thesis
  Publisher American Institute of Physics Place of Publication (up) New York, N.Y. Editor
  Language Wos 000088225400016 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 3.411 Times cited 44 Open Access
  Notes Approved Most recent IF: 3.411; 2000 IF: 3.906
  Call Number UA @ lucian @ c:irua:103448 Serial 712
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Author Gou, H.; Dubrovinskaia, N.; Bykova, E.; Tsirlin, A.A.; Kasinathan, D.; Schnelle, W.; Richter, A.; Merlini, M.; Hanfland, M.; Abakumov, A.M.; Batuk, D.; Van Tendeloo, G.; Nakajima, Y.; Kolmogorov, A.N.; Dubrovinsky, L.;
  Title Discovery of a superhard iron tetraboride superconductor Type A1 Journal article
  Year 2013 Publication Physical review letters Abbreviated Journal Phys Rev Lett
  Volume 111 Issue 15 Pages 157002-157005
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Single crystals of novel orthorhombic (space group Pnnm) iron tetraboride FeB4 were synthesized at pressures above 8 GPa and high temperatures. Magnetic susceptibility and heat capacity measurements demonstrate bulk superconductivity below 2.9 K. The putative isotope effect on the superconducting critical temperature and the analysis of specific heat data indicate that the superconductivity in FeB4 is likely phonon mediated, which is rare for Fe-based superconductors. The discovered iron tetraboride is highly incompressible and has the nanoindentation hardness of 62(5) GPa; thus, it opens a new class of highly desirable materials combining advanced mechanical properties and superconductivity.
  Address
  Corporate Author Thesis
  Publisher Place of Publication (up) New York, N.Y. Editor
  Language Wos 000325371500011 Publication Date 2013-10-09
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0031-9007;1079-7114; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 8.462 Times cited 127 Open Access
  Notes Countatoms Approved Most recent IF: 8.462; 2013 IF: 7.728
  Call Number UA @ lucian @ c:irua:110820 Serial 729
Permanent link to this record
 

 
Author da Silva, R.M.; Milošević, M.V.; Dominguez, D.; Peeters, F.M.; Albino Aguiar, J.
  Title Distinct magnetic signatures of fractional vortex configurations in multiband superconductors Type A1 Journal article
  Year 2014 Publication Applied physics letters Abbreviated Journal Appl Phys Lett
  Volume 105 Issue 23 Pages 232601
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract Vortices carrying fractions of a flux quantum are predicted to exist in multiband superconductors, where vortex core can split between multiple band-specific components of the superconducting condensate. Using the two-component Ginzburg-Landau model, we examine such vortex configurations in a two-band superconducting slab in parallel magnetic field. The fractional vortices appear due to the band-selective vortex penetration caused by different thresholds for vortex entry within each band-condensate, and stabilize near the edges of the sample. We show that the resulting fractional vortex configurations leave distinct fingerprints in the static measurements of the magnetization, as well as in ac dynamic measurements of the magnetic susceptibility, both of which can be readily used for the detection of these fascinating vortex states in several existing multiband superconductors. (C) 2014 AIP Publishing LLC.
  Address
  Corporate Author Thesis
  Publisher American Institute of Physics Place of Publication (up) New York, N.Y. Editor
  Language Wos 000346266000066 Publication Date 2014-12-09
  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 22 Open Access
  Notes ; This work was supported by the Brazilian science agencies CAPES (Grant No. PNPD 223038.003145/2011-00), CNPq (Grant Nos. 307552/2012-8, 141911/2012-3, and APV-4 02937/2013-9), and FACEPE (Grant Nos. APQ-0202-1.05/10 and BCT-0278-1.05/ 11), the Research Foundation Flanders (FWO-Vlaanderen), and by the CNPq-FWO cooperation programme (CNPq Grant No. 490297/2009-9). D.D. acknowledges support from CONICET, CNEA, and ANPCyT-PICT2011-1537. The authors thank A. A. Shanenko for extensive discussions on the topic. ; Approved Most recent IF: 3.411; 2014 IF: 3.302
  Call Number UA @ lucian @ c:irua:122775 Serial 742
Permanent link to this record
 

 
Author Pokatilov, E.P.; Fomin, V.M.; Balaban, S.N.; Gladilin, V.N.; Klimin, S.N.; Devreese, J.T.; Magnus, W.; Schoenmaker, W.; Collaert, N.; van Rossum, M.; de Meyer, K.
  Title Distribution of fields and charge carriers in cylindrical nanosize silicon-based metal-oxide-semiconductor structures Type A1 Journal article
  Year 1999 Publication Journal Of Applied Physics Abbreviated Journal J Appl Phys
  Volume 85 Issue Pages 6625-6631
  Keywords A1 Journal article; Electron Microscopy for Materials Science (EMAT);
  Abstract
  Address
  Corporate Author Thesis
  Publisher American Institute of Physics Place of Publication (up) New York, N.Y. Editor
  Language Wos 000079871200053 Publication Date 2002-07-26
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0021-8979; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.068 Times cited 16 Open Access
  Notes Approved Most recent IF: 2.068; 1999 IF: 2.275
  Call Number UA @ lucian @ c:irua:24444 Serial 743
Permanent link to this record
 

 
Author Martens, T.; Bogaerts, A.; Brok, W.J.M.; van Dijk, J.
  Title The dominant role of impurities in the composition of high pressure noble gas plasmas Type A1 Journal article
  Year 2008 Publication Applied physics letters Abbreviated Journal Appl Phys Lett
  Volume 92 Issue 4 Pages 041504,1-3
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher American Institute of Physics Place of Publication (up) New York, N.Y. Editor
  Language Wos 000252860400026 Publication Date 2008-02-04
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0003-6951; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.411 Times cited 115 Open Access
  Notes Approved Most recent IF: 3.411; 2008 IF: 3.726
  Call Number UA @ lucian @ c:irua:66820 Serial 748
Permanent link to this record
 

 
Author Seyed-Talebi, S.M.; Beheshtian, J.; Neek-Amal, M.
  Title Doping effect on the adsorption of NH3 molecule onto graphene quantum dot : from the physisorption to the chemisorption Type A1 Journal article
  Year 2013 Publication Journal of applied physics Abbreviated Journal J Appl Phys
  Volume 114 Issue 12 Pages 124307-7
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract The adsorption of ammonia molecule onto a graphene hexagonal flake, aluminum (Al) and boron (B) doped graphene flakes (graphene quantum dots, GQDs) are investigated using density functional theory. We found that NH3 molecule is absorbed to the hollow site through the physisorption mechanism without altering the electronic properties of GQD. However, the adsorption energy of NH3 molecule onto the Al- and B-doped GQDs increases with respect GQD resulting chemisorption. The adsorption of NH3 onto the Al-doped and B-doped GQDs makes graphene locally buckled, i.e., B-doped and Al-doped GQDs are not planar. The adsorption mechanism onto a GQD is different than that of graphene. This study reveals important features of the edge passivation and doping effects of the adsorption mechanism of external molecules onto the graphene quantum dots. (C) 2013 AIP Publishing LLC.
  Address
  Corporate Author Thesis
  Publisher American Institute of Physics Place of Publication (up) New York, N.Y. Editor
  Language Wos 000325391100057 Publication Date 2013-09-26
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0021-8979; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.068 Times cited 10 Open Access
  Notes ; This work was supported by the EU-Marie Curie IIF Fellowship/299855 for M.-N.A. ; Approved Most recent IF: 2.068; 2013 IF: 2.185
  Call Number UA @ lucian @ c:irua:112201 Serial 750
Permanent link to this record
 

 
Author Slachmuylders, A.F.; Partoens, B.; Peeters, F.M.; Magnus, W.
  Title Effect of a metallic gate on the energy levels of a shallow donor Type A1 Journal article
  Year 2008 Publication Applied physics letters Abbreviated Journal Appl Phys Lett
  Volume 92 Issue 8 Pages 083104,1-3
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher American Institute of Physics Place of Publication (up) New York, N.Y. Editor
  Language Wos 000254297300074 Publication Date 2008-02-27
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0003-6951; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.411 Times cited 14 Open Access
  Notes Approved Most recent IF: 3.411; 2008 IF: 3.726
  Call Number UA @ lucian @ c:irua:69618 Serial 792
Permanent link to this record
 

 
Author Neek-Amal, M.; Peeters, F.M.
  Title Effect of grain boundary on the buckling of graphene nanoribbons Type A1 Journal article
  Year 2012 Publication Applied physics letters Abbreviated Journal Appl Phys Lett
  Volume 100 Issue 10 Pages 101905-101905,4
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract The buckling of graphene nano-ribbons containing a grain boundary is studied using atomistic simulations where free and supported boundary conditions are invoked. We consider the buckling transition of two kinds of grain boundaries with special symmetry. When graphene contains a large angle grain boundary with theta = 21.8 degrees, the buckling strains are larger than those of perfect graphene when the ribbons with free (supported) boundary condition are subjected to compressive tension parallel (perpendicular) to the grain boundary. This is opposite for the results of theta = 32.2 degrees. The shape of the deformations of the buckled graphene nanoribbons depends on the boundary conditions, the presence of the particular used grain boundaries, and the direction of applied in-plane compressive tension. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.3692573]
  Address
  Corporate Author Thesis
  Publisher American Institute of Physics Place of Publication (up) New York, N.Y. Editor
  Language Wos 000301655500021 Publication Date 2012-03-06
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0003-6951; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.411 Times cited 18 Open Access
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Belgian Science Policy (IAP). ; Approved Most recent IF: 3.411; 2012 IF: 3.794
  Call Number UA @ lucian @ c:irua:97794 Serial 809
Permanent link to this record
 

 
Author Comrie, C.M.; Ahmed, A.; Smeets, D.; Demeulemeester, J.; Turner, S.; Van Tendeloo, G.; Detavernier, C.; Vantomme, A.
  Title Effect of high temperature deposition on CoSi2 phase formation Type A1 Journal article
  Year 2013 Publication Journal of applied physics Abbreviated Journal J Appl Phys
  Volume 113 Issue 23 Pages 234902-234908
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract This paper discusses the nucleation behaviour of the CoSi to CoSi2 transformation from cobalt silicide thin films grown by deposition at elevated substrate temperatures ranging from 375 °C to 600 °C. A combination of channelling, real-time Rutherford backscattering spectrometry, real-time x-ray diffraction, and transmission electron microscopy was used to investigate the effect of the deposition temperature on the subsequent formation temperature of CoSi2, its growth behaviour, and the epitaxial quality of the CoSi2 thus formed. The temperature at which deposition took place was observed to exert a significant and systematic influence on both the formation temperature of CoSi2 and its growth mechanism. CoSi films grown at the lowest temperatures were found to increase the CoSi2 nucleation temperature above that of CoSi2 grown by conventional solid phase reaction, whereas the higher deposition temperatures reduced the nucleation temperature significantly. In addition, a systematic change in growth mechanism of the subsequent CoSi2 growth occurs as a function of deposition temperature. First, the CoSi2 growth rate from films grown at the lower reactive deposition temperatures is substantially lower than that grown at higher reactive deposition temperatures, even though the onset of growth occurs at a higher temperature, Second, for deposition temperatures below 450 °C, the growth appears columnar, indicating nucleation controlled growth. Elevated deposition temperatures, on the other hand, render the CoSi2 formation process layer-by-layer which indicates enhanced nucleation of the CoSi2 and diffusion controlled growth. Our results further indicate that this observed trend is most likely related to stress and changes in microstructure introduced during reactive deposition of the CoSi film. The deposition temperature therefore provides a handle to tune the CoSi2 growth mechanism.
  Address
  Corporate Author Thesis
  Publisher American Institute of Physics Place of Publication (up) New York, N.Y. Editor
  Language Wos 000321011700077 Publication Date 2013-06-17
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0021-8979; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.068 Times cited 2 Open Access
  Notes Fwo; Countatoms Approved Most recent IF: 2.068; 2013 IF: 2.185
  Call Number UA @ lucian @ c:irua:109266 Serial 815
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Author Neyts, E.; Bogaerts, A.; van de Sanden, M.C.M.
  Title Effect of hydrogen on the growth of thin hydrogenated amorphous carbon films from thermal energy radicals Type A1 Journal article
  Year 2006 Publication Applied physics letters Abbreviated Journal Appl Phys Lett
  Volume 88 Issue Pages 141922
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher American Institute of Physics Place of Publication (up) New York, N.Y. Editor
  Language Wos 000236612000037 Publication Date 2006-04-06
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0003-6951; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.411 Times cited 35 Open Access
  Notes Approved Most recent IF: 3.411; 2006 IF: 3.977
  Call Number UA @ lucian @ c:irua:57642 Serial 817
Permanent link to this record
 

 
Author Dominiczak, M.; Ruyter, A.; Limelette, P.; Monot-Laffez, I.; Giovannelli, F.; Rossell, M.D.; Van Tendeloo, G.
  Title Effects of nanocracks on the magnetic and electrical properties of La0.8Sr0.2MnO3 single crystals Type A1 Journal article
  Year 2009 Publication Solid state communications Abbreviated Journal Solid State Commun
  Volume 149 Issue 37/38 Pages 1543-1548
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract An investigation of the physical properties of La0.8Sr0.2MnO3 single crystals grown by the molten zone technique is realized close to the metal-to-insulator transition temperature (TMI). In this paper, we review the effect of the structural defects through magnetotransport and local magnetic microstructures. From electron microscopy observations, some nanocrack defects (i.e. defects at a nanometer scale) were found, essentially in the center part of the single crystals. At room temperature, magnetic force microscopy measurements have shown that the absence of defects allowed a magnetic ordering of the domains at the crystal edge, which is the best-crystallized region. In addition, the magnetization loops have permitted us to verify that the crystal was ferromagnetically weaker in the center. On analyzing the electrical resistivity data, we observed in the linear current regime a sensitive variation of the resistivity due to defects, by comparing the center and the edge of the material at TMI. Additionally, at strong current, non-linearity phenomena have been supposed to be related to local heating. Finally, we discuss the structural disorder effect on the relaxation of the ferromagnetic domains.
  Address
  Corporate Author Thesis
  Publisher Place of Publication (up) New York, N.Y. Editor
  Language Wos 000269679500012 Publication Date 2009-06-09
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0038-1098; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 1.554 Times cited 3 Open Access
  Notes Approved Most recent IF: 1.554; 2009 IF: 1.837
  Call Number UA @ lucian @ c:irua:78289 Serial 868
Permanent link to this record
 

 
Author Covaci, L.; Peeters, F.M.; Berciu, M.
  Title Efficient numerical approach to inhomogeneous superconductivity: the Chebyshev-Bogoliubov-de Gennes method Type A1 Journal article
  Year 2010 Publication Physical review letters Abbreviated Journal Phys Rev Lett
  Volume 105 Issue 16 Pages 167006,1-167006,4
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract We propose a highly efficient numerical method to describe inhomogeneous superconductivity by using the kernel polynomial method in order to calculate the Greens functions of a superconductor. Broken translational invariance of any type (impurities, surfaces, or magnetic fields) can be easily incorporated. We show that limitations due to system size can be easily circumvented and therefore this method opens the way for the study of scenarios and/or geometries that were unaccessible before. The proposed method is highly efficient and amenable to large scale parallel computation. Although we only use it in the context of superconductivity, it is applicable to other inhomogeneous mean-field theories.
  Address
  Corporate Author Thesis
  Publisher Place of Publication (up) New York, N.Y. Editor
  Language Wos 000282816300018 Publication Date 2010-10-12
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0031-9007;1079-7114; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 8.462 Times cited 80 Open Access
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl), CIfAR, and NSERC. Discussions with Frank Marsiglio are gratefully acknowledged. ; Approved Most recent IF: 8.462; 2010 IF: 7.622
  Call Number UA @ lucian @ c:irua:84899 Serial 875
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Author Ao, Z.M.; Peeters, F.M.
  Title Electric field: A catalyst for hydrogenation of graphene Type A1 Journal article
  Year 2010 Publication Applied physics letters Abbreviated Journal Appl Phys Lett
  Volume 96 Issue 25 Pages 3
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract Due to the importance of hydrogenation of graphene for several applications, we present an alternative approach to hydrogenate graphene based on density functional theory calculations. We find that a negative perpendicular electric field F can act as a catalyst to reduce the energy barrier for molecular H<sub>2</sub> dissociative adsorption on graphene. Increasing -F above 0.02 a.u. (1 a.u.=5.14×10<sup>11</sup> V/m), this hydrogenation process occurs smoothly without any potential barrier.
  Address
  Corporate Author Thesis
  Publisher American Institute of Physics Place of Publication (up) New York, N.Y. Editor
  Language Wos 000279168100052 Publication Date 2010-06-23
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0003-6951; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.411 Times cited 88 Open Access
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Belgian Science Policy (IAP). ; Approved Most recent IF: 3.411; 2010 IF: 3.841
  Call Number UA @ lucian @ c:irua:83924 Serial 881
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Author Halley, D.; Majjad, H.; Bowen, M.; Najjari, N.; Henry, Y.; Ulhaq-Bouillet, C.; Weber, W.; Bertoni, G.; Verbeeck, J.; Van Tendeloo, G.
  Title Electrical switching in Fe/Cr/MgO/Fe magnetic tunnel junctions Type A1 Journal article
  Year 2008 Publication Applied physics letters Abbreviated Journal Appl Phys Lett
  Volume 92 Issue 21 Pages 212115,1-3
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Hysteretic resistance switching is observed in epitaxial Fe/Cr/MgO/Fe magnetic tunnel junctions under bias voltage cycling between negative and positive values of about 1 V. The junctions switch back and forth between high- and low-resistance states, both of which depend on the device bias history. A linear dependence is found between the magnitude of the tunnel magnetoresistance and the crafted resistance of the junctions. To explain these results, a model is proposed that considers electron transport both by elastic tunneling and by defect-assisted transmission. (c) 2008 American Institute of Physics.
  Address
  Corporate Author Thesis
  Publisher American Institute of Physics Place of Publication (up) New York, N.Y. Editor
  Language Wos 000256303500042 Publication Date 2008-06-02
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0003-6951; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.411 Times cited 33 Open Access
  Notes Approved Most recent IF: 3.411; 2008 IF: 3.726
  Call Number UA @ lucian @ c:irua:69284UA @ admin @ c:irua:69284 Serial 894
Permanent link to this record
 

 
Author Kálna, K.; Mo×ko, M.; Peeters, F.M.
  Title Electron capture in GaAs quantum wells via electron-electron and optic phonon scattering Type A1 Journal article
  Year 1996 Publication Applied physics letters Abbreviated Journal Appl Phys Lett
  Volume 68 Issue Pages 117-119
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher American Institute of Physics Place of Publication (up) New York, N.Y. Editor
  Language Wos A1996TM84700040 Publication Date 0000-00-00
  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 3.302 Times cited 10 Open Access
  Notes Approved no
  Call Number UA @ lucian @ c:irua:15802 Serial 912
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Author Verbeeck, J.; Lebedev, O.I.; Van Tendeloo, G.; Silcox, J.; Mercey, B.; Hervieu, M.; Haghiri-Gosnet, A.M.
  Title Electron energy-loss spectroscopy study of a (LaMnO3)8(SrMnO3)4 heterostructure Type A1 Journal article
  Year 2001 Publication Applied physics letters Abbreviated Journal Appl Phys Lett
  Volume 79 Issue 13 Pages 2037-2039
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract An epitaxially grown heterostructure consisting of alternating layers of LaMnO3 (8 unit cells) and SrMnO3 (4 unit cells) on a SrTiO3 substrate has been studied by a combination of electron energy-loss spectroscopy (EELS) and high-resolution transmission electron microscopy (HRTEM) on an atomic scale. Excitation edges of all elements are captured with subnanometer spatial accuracy, and parametrized to obtain chemical profiles. The fine-edge structure of O K and Mn L-2,L-3 edges are interpreted as signatures of the local electronic structure and show a spatial modulation of the concentration of holes with O 2p character. The chemical concentration is found to be different for the bottom and top interface of a SrMnO3 layer. HRTEM complements the EELS results and confirms the asymmetry of the interfaces. (C) 2001 American Institute of Physics.
  Address
  Corporate Author Thesis
  Publisher American Institute of Physics Place of Publication (up) New York, N.Y. Editor
  Language Wos 000171015200036 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 3.411 Times cited 19 Open Access
  Notes Approved Most recent IF: 3.411; 2001 IF: 3.849
  Call Number UA @ lucian @ c:irua:54799UA @ admin @ c:irua:54799 Serial 933
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Author Zhu, J.; Badalyan, S.M.; Peeters, F.M.
  Title Electron-phonon bound states in graphene in a perpendicular magnetic field Type A1 Journal article
  Year 2012 Publication Physical review letters Abbreviated Journal Phys Rev Lett
  Volume 109 Issue 25 Pages 256602-256605
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract The spectrum of electron-phonon complexes in monolayer graphene is investigated in the presence of a perpendicular quantizing magnetic field. Despite the small electron-phonon coupling, usual perturbation theory is inapplicable for the calculation of the scattering amplitude near the threshold of optical phonon emission. Our findings, beyond perturbation theory, show that the true spectrum near the phonon-emission threshold is completely governed by new branches, corresponding to bound states of an electron and an optical phonon with a binding energy of the order of alpha omega(0), where alpha is the electron-phonon coupling and omega(0) the phonon energy. DOI: 10.1103/PhysRevLett.109.256602
  Address
  Corporate Author Thesis
  Publisher Place of Publication (up) New York, N.Y. Editor
  Language Wos 000312841700011 Publication Date 2012-12-22
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0031-9007;1079-7114; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 8.462 Times cited 19 Open Access
  Notes ; We acknowledge support from the Belgian Science Policy (BELSPO) and EU, the ESF EuroGRAPHENE project CONGRAN, and the Flemisch Science Foundation (FWO-Vl). ; Approved Most recent IF: 8.462; 2012 IF: 7.943
  Call Number UA @ lucian @ c:irua:105962 Serial 983
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Author Singh, S.K.; Neek-Amal, M.; Peeters, F.M.
  Title Electronic properties of graphene nano-flakes : energy gap, permanent dipole, termination effect, and Raman spectroscopy Type A1 Journal article
  Year 2014 Publication The journal of chemical physics Abbreviated Journal J Chem Phys
  Volume 140 Issue 7 Pages 074304-74309
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract The electronic properties of graphene nano-flakes (GNFs) with different edge passivation are investigated by using density functional theory. Passivation with F and H atoms is considered: C-Nc X-Nx (X = F or H). We studied GNFs with 10 < N-c < 56 and limit ourselves to the lowest energy configurations. We found that: (i) the energy difference Delta between the highest occupied molecular orbital and the lowest unoccupied molecular orbital decreases with N-c, (ii) topological defects (pentagon and heptagon) break the symmetry of the GNFs and enhance the electric polarization, (iii) the mutual interaction of bilayer GNFs can be understood by dipole-dipole interaction which were found sensitive to the relative orientation of the GNFs, (iv) the permanent dipoles depend on the edge terminated atom, while the energy gap is independent of it, and (v) the presence of heptagon and pentagon defects in the GNFs results in the largest difference between the energy of the spin-up and spin-down electrons which is larger for the H-passivated GNFs as compared to F-passivated GNFs. Our study shows clearly the effect of geometry, size, termination, and bilayer on the electronic properties of small GNFs. This study reveals important features of graphene nano-flakes which can be detected using Raman spectroscopy. (C) 2014 AIP Publishing LLC.
  Address
  Corporate Author Thesis
  Publisher Place of Publication (up) New York, N.Y. Editor
  Language Wos 000332039900020 Publication Date 2014-02-20
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0021-9606;1089-7690; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.965 Times cited 30 Open Access
  Notes ; This work was supported by the EU-Marie Curie IIF postdoctoral Fellowship/ 299855 (for M. N.-A.), the ESF-EuroGRAPHENE project CONGRAN, the Flemish Science Foundation (FWO-Vl), and the Methusalem Foundation of the Flemish Government. ; Approved Most recent IF: 2.965; 2014 IF: 2.952
  Call Number UA @ lucian @ c:irua:115857 Serial 1002
Permanent link to this record
 

 
Author Houssa, M.; Scalise, E.; Sankaran, K.; Pourtois, G.; Afanas'ev, V.V.; Stesmans, A.
  Title Electronic properties of hydrogenated silicene and germanene Type A1 Journal article
  Year 2011 Publication Applied physics letters Abbreviated Journal Appl Phys Lett
  Volume 98 Issue 22 Pages 223107
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract The electronic properties of hydrogenated silicene and germanene, so called silicane and germanane, respectively, are investigated using first-principles calculations based on density functional theory. Two different atomic configurations are found to be stable and energetically degenerate. Upon the adsorption of hydrogen, an energy gap opens in silicene and germanene. Their energy gaps are next computed using the HSE hybrid functional as well as the G(0)W(0) many-body perturbation method. These materials are found to be wide band-gap semiconductors, the type of gap in silicane (direct or indirect) depending on its atomic configuration. Germanane is predicted to be a direct-gap material, independent of its atomic configuration, with an average energy gap of about 3.2 eV, this material thus being potentially interesting for optoelectronic applications in the blue/violet spectral range. (C) 2011 American Institute of Physics. [doi: 10.1063/1.3595682]
  Address
  Corporate Author Thesis
  Publisher American Institute of Physics Place of Publication (up) New York, N.Y. Editor
  Language Wos 000291405700057 Publication Date 2011-06-03
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0003-6951; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.411 Times cited 63 Open Access
  Notes Approved Most recent IF: 3.411; 2011 IF: 3.844
  Call Number UA @ lucian @ c:irua:105586 Serial 1003
Permanent link to this record
 

 
Author Houssa, M.; Pourtois, G.; Afanas'ev, V.V.; Stesmans, A.
  Title Electronic properties of two-dimensional hexagonal germanium Type A1 Journal article
  Year 2010 Publication Applied physics letters Abbreviated Journal Appl Phys Lett
  Volume 96 Issue 8 Pages 082111,1-082111,3
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract The electronic properties of two-dimensional hexagonal germanium, so called germanene, are investigated using first-principles simulations. Consistent with previous reports, the surface is predicted to have a poor metallic behavior, i.e., being metallic with a low density of states at the Fermi level. It is found that biaxial compressively strained germanene is a gapless semiconductor with linear energy dispersions near the K pointslike graphene. The calculated Fermi velocity of germanene is almost independent of the strain and is about 1.7×10<sup>6</sup> m/s, quite comparable to the value in graphene.
  Address
  Corporate Author Thesis
  Publisher American Institute of Physics Place of Publication (up) New York, N.Y. Editor
  Language Wos 000275027200044 Publication Date 2010-02-25
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0003-6951; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.411 Times cited 86 Open Access
  Notes Approved Most recent IF: 3.411; 2010 IF: 3.841
  Call Number UA @ lucian @ c:irua:91716 Serial 1004
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