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Author (down) Verbist, K.; Van Tendeloo, G.; Ye, M.; Mehbod, M.; Deltour, R.
Title TEM study of YBa2Cu3O7-x thin films with Zn and Fe Type A1 Journal article
Year 1994 Publication Physica: C : superconductivity Abbreviated Journal Physica C
Volume 235 Issue 1 Pages 663-664
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Analytical and high resolution electron microscopy have been used to study the effect of Zn- and Fe-doping on the micro structure of [001] YBa2Cu3O7-x thin films on [001] MgO substrates grown by magnetron sputtering. Special attention was paid to the presence of second phase inclusions and surface outgrowths such as CuO, Y2Ba1Cu1O5-x, Y2O3 in order to establish a relationship with the critical current density.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos A1994QA39000261 Publication Date 2002-10-17
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0921-4534; ISBN Additional Links UA library record; WoS full record
Impact Factor 0.942 Times cited Open Access
Notes Approved no
Call Number UA @ lucian @ c:irua:10047 Serial 3492
Permanent link to this record
 
 
Author (down) Verbist, K.; Tafuri, F.; Miletto Granozio, F.; di Chiara, S.; Van Tendeloo, G.
Title Microstructure of artificial [100] 45° twist grain boundaries in YBa2Cu3O7- Type A3 Journal article
Year 1998 Publication Electron microscopy: vol. 2 Abbreviated Journal
Volume Issue Pages 593-594
Keywords A3 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000077019900291 Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record; WoS full record;
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:25671 Serial 2067
Permanent link to this record
 
 
Author (down) Verbist, K.; Tafuri, F.; Granozio, F.M.; Di Chiara, S.; Van Tendeloo, G.
Title Microstructure of artificial [100] 45 degrees twist grain boundaries in YBa2Cu3O7-delta Type P1 Proceeding
Year 1998 Publication Electron Microscopy 1998, Vol 2: Materials Science 1 Abbreviated Journal
Volume Issue Pages 593-594
Keywords P1 Proceeding; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000077019900291 Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0-7503-0565-7 ISBN Additional Links UA library record; WoS full record;
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:104356 Serial 2066
Permanent link to this record
 
 
Author (down) Verbist, K.; Milat, O.; Van Tendeloo, G.; Arrouy, F.; Williams, E.J.; Rossel, C.; Machler, E.; Locquet, J.-P.
Title Molecular beam epitaxy and microstructural study of La2-xSr1+xCu2O6+y thin films Type A1 Journal article
Year 1997 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 56 Issue 2 Pages 853-861
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos A1997XL82700052 Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121; 0163-1829 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 2 Open Access
Notes Approved Most recent IF: 3.836; 1997 IF: NA
Call Number UA @ lucian @ c:irua:21441 Serial 2168
Permanent link to this record
 
 
Author (down) Verbist, K.; Lebedev, O.I.; Verhoeven, M.A.J.; Winchern, R.; Rijnders, A.J.H.M.; Blank, D.H.A.; Tafuri, F.; Bender, H.; Van Tendeloo, G.
Title Microstructure of YBa2Cu3O7-\delta Josephson junctions in relation to their properties Type A1 Journal article
Year 1998 Publication Superconductor science and technology Abbreviated Journal Supercond Sci Tech
Volume 11 Issue Pages 13-20
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Bristol Editor
Language Wos 000071820300005 Publication Date 2002-08-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0953-2048;1361-6668; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.878 Times cited Open Access
Notes Approved Most recent IF: 2.878; 1998 IF: 2.050
Call Number UA @ lucian @ c:irua:22112 Serial 2075
Permanent link to this record
 
 
Author (down) Verbist, K.; Lebedev, O.I.; Van Tendeloo, G.; Verhoeven, M.A.J.; Rijnders, A.J.H.M.; Blank, D.H.A.; Rogalia, H.
Title Ga segregation in DyBa2Cu3O7-\delta/PrBa2Cu3-xGaxO7-\delta/DyBa2Cu3O7-\delta ramp-type Josephson junctions Type A1 Journal article
Year 1997 Publication Applied physics letters Abbreviated Journal Appl Phys Lett
Volume 70 Issue 9 Pages 1167-1169
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos A1997WL14700036 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 3.411 Times cited 8 Open Access
Notes Approved Most recent IF: 3.411; 1997 IF: 3.033
Call Number UA @ lucian @ c:irua:21426 Serial 1312
Permanent link to this record
 
 
Author (down) Verbist, K.; Lebedev, O.I.; Van Tendeloo, G.; Verhoeven, M.A.J.; Rijnders, A.J.H.M.; Blank, D.H.A.
Title Low- or high-angle Ar ion-beam etching to create ramp-type Josephson junctions Type A1 Journal article
Year 1996 Publication Superconductor science and technology Abbreviated Journal Supercond Sci Tech
Volume 9 Issue Pages 978-984
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Bristol Editor
Language Wos A1996VR54700009 Publication Date 2002-08-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0953-2048;1361-6668; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.325 Times cited 10 Open Access
Notes Approved COMPUTER SCIENCE, INTERDISCIPLINARY 11/104 Q1 # PHYSICS, MATHEMATICAL 1/53 Q1 #
Call Number UA @ lucian @ c:irua:15469 Serial 1851
Permanent link to this record
 
 
Author (down) Verbist, K.; Lebedev, O.I.; Van Tendeloo, G.; Verhoeven, M.A.J.; Rijnders, A.J.H.M.; Blank, D.H.A.
Title Study of ramp-type Josephson junctions by HREM Type A1 Journal article
Year 1997 Publication Electronic Applications; Vol 2: Large Scale And Power Applications Abbreviated Journal
Volume Issue 158 Pages 49-52
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Structural aspects of ramp-type Josephson junctions based on REBa2Cu3O7-delta high-T-c superconductors, are investigated by cross-section transmission electron microscopy and results related to fabrication process or physical properties. The barrier layer material is PrBa2Cu3-xGaxO7-delta. The ramp-geometry depends on the etching conditions. High levels of Ga doping (x>0.7) influence the microstructure of the barrier layer thereby changing the junctions properties.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000071955200012 Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0-7503-0487-1 ISBN Additional Links UA library record; WoS full record;
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:102941 Serial 3333
Permanent link to this record
 
 
Author (down) Verbist, K.; Lebedev, O.I.; Van Tendeloo, G.; Tafuri, F.; Granozio, F.M.; Di Chiara, A.; Bender, H.
Title A potential method to correlate electrical properties and microstructure of a unique high-Tc superconducting Josephson junction Type A1 Journal article
Year 1999 Publication Applied physics letters Abbreviated Journal Appl Phys Lett
Volume 74 Issue 7 Pages 1024-1026
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract A method to correlate microstructure from cross-section transmission electron microscopy (TEM) investigations and transport properties of a single well characterized high-T-c artificial grain boundary junction is reported. A YBa2Cu3O7-delta 45 degrees twist junction exhibiting the typical phenomenology of high T-c Josephson weak links was employed. The TEM sample preparation is based on focused ion beam etching and allows to easily localize the electron transparent area on a microbridge. The reported technique opens clear perspectives in the determination of the microstructural origin of variations in Josephson junction properties, such as the spread in I-c and IcRN values and the presence of different transport regimes in nominally identical junctions. (C) 1999 American Institute of Physics. [S0003-6951(99)03404-X].
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000078571400043 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 5 Open Access
Notes Approved Most recent IF: 3.411; 1999 IF: 4.184
Call Number UA @ lucian @ c:irua:102912 Serial 2686
Permanent link to this record
 
 
Author (down) Verbist, G.; Smondyrev, M.A.; Peeters, F.M.; Devreese, J.T.
Title Strong-coupling analysis of large bipolarons in 2 and 3 dimensions Type A1 Journal article
Year 1992 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 45 Issue 10 Pages 5262-5269
Keywords A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems
Abstract In the limit of strong electron-phonon coupling, we use either a Pekar-type or an oscillator wave function for the center-of-mass coordinate and either a Coulomb or an oscillator wave function for the relative coordinate, and are able to reproduce all the results from the literature for the large-bipolaron binding energy. Lower bounds are constructed for the critical ratio eta(c) of dielectric constants below which bipolarons can exist. It is found that, in the strong-coupling limit, the stability region for bipolaron formation is much larger in two dimensions (2D) than in 3D. We introduce a model that combines the averaging of the relative coordinate over the asymptotically best wave function with a path-integral treatment of the center-of-mass motion. The stability region for bipolaron formation is increased compared with the full path-integral treatment at large values of the coupling constant alpha. The critical values are alpha(c) almost-equal-to 9.3 in 3D and alpha(c) almost-equal-to 4.5 in 2D. Phase diagrams for the presented models are also obtained in both 2D and 3D.
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos A1992HJ68900016 Publication Date 2002-07-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0163-1829;1095-3795; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.736 Times cited 68 Open Access
Notes Approved PHYSICS, APPLIED 28/145 Q1 #
Call Number UA @ lucian @ c:irua:103051 Serial 3178
Permanent link to this record
 
 
Author (down) Verbist, G.; Smondyrev, M.A.; Peeters, F.M.; Devreese, J.T.
Title Strong-coupling analysis of large bipolarons in two and three dimensions Type A1 Journal article
Year 1992 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 45 Issue Pages 5262-5269
Keywords A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos A1992HJ68900016 Publication Date 2002-07-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0163-1829 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.736 Times cited 68 Open Access
Notes Approved PHYSICS, APPLIED 28/145 Q1 #
Call Number UA @ lucian @ c:irua:2891 Serial 3179
Permanent link to this record
 
 
Author (down) Verbist, G.; Peeters, F.M.; Devreese, J.T.
Title Extended stability region for large bipolarons through interaction with multiple phonon branches Type A1 Journal article
Year 1992 Publication Ferroelectrics Abbreviated Journal Ferroelectrics
Volume 130 Issue 1-3 Pages 27-34
Keywords A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems
Abstract The large (bi)polaron is investigated for the case where the electron interacts with multiple LO-phonon branches. Explicit expressions for the groundstate energy and the effective mass are obtained within the Feynman polaron model approximation and they are applied to the material SrTiO3. The results of an effective LO-phonon branch approximation are compared with the results in which all LO-phonon branches are explicitly included. We show how the stability region for large bipolaron formation is enlarged when the electrons interact with multiple LO-phonon branches. The possible relevance of this result for the high-T(c) superconductors is pointed out.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos A1992JV42600004 Publication Date 2011-03-16
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0015-0193;1563-5112; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 0.469 Times cited 19 Open Access
Notes Approved no
Call Number UA @ lucian @ c:irua:103065 Serial 1157
Permanent link to this record
 
 
Author (down) Verbist, G.; Peeters, F.M.; Devreese, J.T.
Title Large bipolarons in three and two dimensions Type A1 Journal article
Year 1991 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 43 Issue Pages 2712-2720
Keywords A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos A1991FF08300030 Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121; 0163-1829 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.736 Times cited 155 Open Access
Notes Approved no
Call Number UA @ lucian @ c:irua:911 Serial 1779
Permanent link to this record
 
 
Author (down) Verberck, B.; Vliegenthart, G.A.; Gompper, G.
Title Orientational ordering in solid C60 fullerene-cubane Type A1 Journal article
Year 2009 Publication The journal of chemical physics Abbreviated Journal J Chem Phys
Volume 130 Issue 15 Pages 154510,1-154510,14
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We study the structure and phase behavior of fullerene-cubane C60·C8H8 by Monte Carlo simulation. Using a simple potential model capturing the icosahedral and cubic symmetries of its molecular constituents, we reproduce the experimentally observed phase transition from a cubic to an orthorhombic crystal lattice and the accompanying rotational freezing of the C60 molecules. We elaborate a scheme to identify the low-temperature orientations of individual molecules and to detect a pattern of orientational ordering similar to the arrangement of C60 molecules in solid C60. Our configuration of orientations supports a doubled periodicity along one of the crystal axes.
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000265486300036 Publication Date 2009-04-22
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-9606; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.965 Times cited 8 Open Access
Notes Approved Most recent IF: 2.965; 2009 IF: 3.093
Call Number UA @ lucian @ c:irua:77258 Serial 2519
Permanent link to this record
 
 
Author (down) Verberck, B.; Tarakina, N.V.
Title Tubular fullerenes inside carbon nanotubes : optimal molecular orientation versus tube radius Type A1 Journal article
Year 2011 Publication European physical journal : B : condensed matter and complex systems Abbreviated Journal Eur Phys J B
Volume 80 Issue 3 Pages 355-362
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
Abstract We present an investigation of the orientations and positions of tubular fullerene molecules (C90, ..., C200) encapsulated in single-walled carbon nanotubes (SWCNT), a series of so-called fullerene nanopeapods. We find that increasing the tube radius leads to the following succession of energetically stable regimes: (1) lying molecules positioned on the tube's long axis; (2) tilted molecules on the tube's long axis; and (3) lying molecules shifted away from the tube's long axis. As opposed to C70 and C80 molecules encapsulated in a SWCNT, standing orientations do not develop. Our results are relevant for the possible application of molecular-orientation-dependent electronic properties of fullerene nanopeapods, and also for the interpretation of future experiments on double-walled carbon nanotube formation by annealing fullerene peapod systems.
Address
Corporate Author Thesis
Publisher Place of Publication Berlin Editor
Language Wos 000289576200010 Publication Date 2011-03-14
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1434-6028;1434-6036; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.461 Times cited 10 Open Access
Notes ; This work was financially supported by the Research Foundation – Flanders (FWO-VI). B.V. is a Postdoctoral Fellow of the Research Foundation – Flanders (FWO-VI). ; Approved Most recent IF: 1.461; 2011 IF: 1.534
Call Number UA @ lucian @ c:irua:89286 Serial 3738
Permanent link to this record
 
 
Author (down) Verberck, B.; Popov, V.N.; Nikolaev, A.V.; Lamoen, D.
Title Valence electronic charge density of distorted C60-monomers in polymerized KC60 and RbC60 Type A1 Journal article
Year 2004 Publication The journal of chemical physics Abbreviated Journal J Chem Phys
Volume 121 Issue Pages 321
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000222112100035 Publication Date 2004-06-16
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-9606; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.965 Times cited 7 Open Access
Notes Approved Most recent IF: 2.965; 2004 IF: 3.105
Call Number UA @ lucian @ c:irua:47380 Serial 3830
Permanent link to this record
 
 
Author (down) Verberck, B.; Partoens, B.; Peeters, F.M.; Trauzettel, B.
Title Strain-induced band gaps in bilayer graphene Type A1 Journal article
Year 2012 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 85 Issue 12 Pages 125403-125403,10
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We present a tight-binding investigation of strained bilayer graphene within linear elasticity theory, focusing on the different environments experienced by the A and B carbon atoms of the different sublattices. We find that the inequivalence of the A and B atoms is enhanced by the application of perpendicular strain epsilon(zz), which provides a physical mechanism for opening a band gap, most effectively obtained when pulling the two graphene layers apart. In addition, perpendicular strain introduces electron-hole asymmetry and can result in linear electronic dispersion near the K point. Our findings suggest experimental means for strain-engineered band gaps in bilayer graphene.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000301113200005 Publication Date 2012-03-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 53 Open Access
Notes ; The authors would like to acknowledge O. Leenaerts, E. Mariani, K. H. Michel, and J. Schelter for useful discussions. B. V. was financially supported by the Flemish Science Foundation (FWO-Vl). This work was financially supported by the ESF program EuroGraphene under projects CONGRAN and ENTS as well as by the DFG. ; Approved Most recent IF: 3.836; 2012 IF: 3.767
Call Number UA @ lucian @ c:irua:97181 Serial 3168
Permanent link to this record
 
 
Author (down) Verberck, B.; Okazaki, T.; Tarakina, N.V.
Title Ordered and disordered packing of coronene molecules in carbon nanotubes Type A1 Journal article
Year 2013 Publication Physical chemistry, chemical physics Abbreviated Journal Phys Chem Chem Phys
Volume 15 Issue 41 Pages 18108-18114
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Monte Carlo simulations of coronene molecules in single-walled carbon nanotubes (SWCNTs) and dicoronylene molecules in SWCNTs are performed. Depending on the diameter D of the encapsulating SWCNT, regimes favoring the formation of ordered, one-dimensional (1D) stacks of tilted molecules (D <= 1.7 nm for coronene@SWCNT, 1.5 nm <= D <= 1.7 nm for dicoronylene@SWCNT) and regimes with disordered molecular arrangements and increased translational mobilities enabling the thermally induced polymerization of neighboring molecules resulting in the formation of graphene nanoribbons (GNRs) are observed. The results show that the diameter of the encapsulating nanotube is a crucial parameter for the controlled synthesis of either highly ordered 1D structures or GNR precursors.
Address
Corporate Author Thesis
Publisher Place of Publication Cambridge Editor
Language Wos 000325400600045 Publication Date 2013-09-05
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1463-9076;1463-9084; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.123 Times cited 9 Open Access
Notes ; B.V. is a Postdoctoral Fellow of the Research Foundation Flanders (FWO-VI). N.V.T. acknowledges funding by the Bavarian Ministry of Sciences, Research and the Arts. ; Approved Most recent IF: 4.123; 2013 IF: 4.198
Call Number UA @ lucian @ c:irua:112212 Serial 2502
Permanent link to this record
 
 
Author (down) Verberck, B.; Nikolaev, A.V.; Michel, K.H.
Title Orientational charge density waves and the metal-insulator transition in polymerized KC60 Type A1 Journal article
Year 2004 Publication AIP conference proceedings Abbreviated Journal
Volume 723 Issue Pages 339-342
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Polymerized KC60 undergoes a structural phase transition accompanied by a metal-insulator transition around 50 K. To explain the structural aspect, a mechanism involving small orientational deviations of the valence electron density on every C-60 monomer orientational charge density waves (OCDWs) – has already been proposed earlier. In the present work, we address the metal-insulator transition using the OCDW concept. We are inspired by the analogy between a polymer chain exhibiting an OCDW and a linear atomic chain undergoing a static lattice deformation doubling the unit cell: such a deformation implies a band gap at the zone boundary, yielding an insulating state (Peierls instability). Within our view, a similar mechanism occurs in polymerized KC60; the OCDW plays the role of the lattice deformation. We present tight-binding band structure calculations and conclude that the metal-insulator transition can indeed be explained using OCDWs, but that the threedimensionality of the crystal plays an unexpected key role.
Address
Corporate Author Thesis
Publisher Place of Publication New York Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0094-243x ISBN Additional Links UA library record; WoS full record;
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:94831 Serial 2513
Permanent link to this record
 
 
Author (down) Verberck, B.; Nikolaev, A.V.; Michel, K.H.
Title Orientational charge density waves and the metal-insulator transition in polymerized KC60 Type A1 Journal article
Year 2005 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 71 Issue 16 Pages 165117-11
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract A theoretical model is presented for the description of the metal-insulator transition which accompanies the structural phase transition at T approximate to 50 K in polymerized KC60. The model involves orientational charge density waves (along the C-60 polymer chains) which were introduced previously for a description of the structural phase transition. A satisfactory qualitative and quantitative understanding is obtained when the three-dimensionality of the crystal and the presence of the K+ counterions is properly taken into account.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000228763100035 Publication Date 2005-04-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 1 Open Access
Notes Approved Most recent IF: 3.836; 2005 IF: 3.185
Call Number UA @ lucian @ c:irua:104076 Serial 2514
Permanent link to this record
 
 
Author (down) Verberck, B.; Nikolaev, A.V.; Michel, K.H.
Title Theoretical model for the structural phase transition and the metal-insulator transition in polymerized KC60 Type A1 Journal article
Year 2004 Publication Fullerenes, nanotubes, and carbon nanostructures T2 – 6th Biennial International Workshop on Fullerenes and Atomic Clusters, JUN 30-JUL 04, 2003, St Petersburg, RUSSIA Abbreviated Journal Fuller Nanotub Car N
Volume 12 Issue 1-2 Pages 243-252
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract The recently discovered structural phase transition in Polymerized KC60 at about 50K leads to a doubling of the unit cell volume and is accompanied by a metal-insulator transition. Here, we show that the ((a) over right arrow + (c) over right arrow, (b) over right arrow, (a) over right arrow – (c) over right arrow) superstructure results from orientational charge density waves along the polymer chains and correlated displacements of the K+ ions. The presented model can also account for the metal-insulator transition. The effect is specific for the space group Pmnn of KC60 and is absent in both Rb- and CsC60 (space group 12/m), in agreement with the present experimental knowledge of these compounds.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000220551600040 Publication Date 2004-03-15
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1536-383X;1536-4046; ISBN Additional Links UA library record; WoS full record
Impact Factor 1.35 Times cited Open Access
Notes Approved Most recent IF: 1.35; 2004 IF: 1.117
Call Number UA @ lucian @ c:irua:103259 Serial 3607
Permanent link to this record
 
 
Author (down) Verberck, B.; Nikolaev, A.V.; Michel, K.H.
Title Theoretical model for the structural phase transition at the metal-insulator transition in polymerized KC60 Type A1 Journal article
Year 2002 Publication Physical Review B Abbreviated Journal Phys Rev B
Volume 66 Issue 16 Pages 165425-165425,14
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The recently discovered structural transition in polymerized KC60 at about 50 K results in a doubling of the unit cell volume and accompanies the metal-insulator transition. Here we show that the ((a) over right arrow+(c) over right arrow,(b) over right arrow,(a) over right arrow-(c) over right arrow) superstructure results from small orientational charge density waves along the polymer chains and concomitant displacements of the surrounding K+ ions. The effect is specific for the space group Pmnn of KC60 and is absent in RbC60 and CsC60 (space group I2/m). The mechanism is relevant for the metal-insulator transition.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000179286400135 Publication Date 2002-10-30
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0163-1829;1095-3795; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 10 Open Access
Notes Approved Most recent IF: 3.836; 2002 IF: NA
Call Number UA @ lucian @ c:irua:94907 Serial 3608
Permanent link to this record
 
 
Author (down) Verberck, B.; Michel, K.H.; Nikolaev, A.V.
Title Crystal structures of polymerized fullerides AC60, A=K, Rb, Cs, and alkali-mediated interactions Type A1 Journal article
Year 2002 Publication The journal of chemical physics Abbreviated Journal J Chem Phys
Volume 116 Issue 23 Pages 10462-10474
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Starting from a model of rigid interacting C-60 polymer chains on an orthorhombic lattice, we study the mutual orientation of the chains and the stability of the crystalline structures Pmnn and I2/m. We take into account (i) van der Waals interactions and electric quadrupole interactions between C-60 monomers on different chains as well as (ii) interactions of the monomers with the surrounding alkali atoms. The direct interactions (i) always lead to an antiferrorotational structure Pmnn with alternate orientation of the C-60 chains in planes (001). The interactions (ii) with the alkalis consist of two parts: translation-rotation (TR) coupling where the orientations of the chains interact with displacements of the alkalis, and quadrupolar electronic polarizability (ep) coupling, where the electric quadrupoles on the C-60 monomers interact with induced quadrupoles due to excited electronic d-states of the alkalis. Both interactions (ii) lead to an effective orientation-orientation interaction between the C-60 chains and always favor the ferrorotational structure I2/m, where C-60 chains have a same orientation. The structures Pmnn for KC60 and I2/m for Rb- and CsC60 are the result of a competition between the direct interaction (i) and the alkali-mediated interactions (ii). In Rb- and CsC60 the latter are found to be dominant, the preponderant role being played by the quadrupolar electronic polarizability of the alkali ions. (C) 2002 American Institute of Physics.
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000175905800044 Publication Date 2002-07-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-9606; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.965 Times cited 12 Open Access
Notes Approved Most recent IF: 2.965; 2002 IF: 2.998
Call Number UA @ lucian @ c:irua:103350 Serial 578
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Author (down) Verberck, B.; Michel, K.H.; Nikolaev, A.V.
Title The C60 molecules in (C60)N@SWCNT peapods: crystal field, intermolecular interactions and dynamics Type A1 Journal article
Year 2006 Publication Fullerenes, nanotubes, and carbon nanostructures Abbreviated Journal Fuller Nanotub Car N
Volume 14 Issue 2/3 Pages 171-178
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000238762900006 Publication Date 2006-06-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1536-383X;1536-4046; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.35 Times cited 10 Open Access
Notes Approved Most recent IF: 1.35; 2006 IF: 0.462
Call Number UA @ lucian @ c:irua:60025 Serial 3518
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Author (down) Verberck, B.; Michel, K.H.
Title Anisotropic packing of C-70 molecules in carbon nanotubes Type A1 Journal article
Year 2007 Publication Physica status solidi B-basic solid state physics Abbreviated Journal Phys Status Solidi B
Volume 244 Issue 11 Pages 4279-4282
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000251355800092 Publication Date 2007-10-19
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0370-1972;1521-3951; ISBN Additional Links UA library record; WoS full record
Impact Factor 1.674 Times cited Open Access
Notes Approved Most recent IF: 1.674; 2007 IF: 1.071
Call Number UA @ lucian @ c:irua:67350 Serial 128
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Author (down) Verberck, B.; Michel, K.H.
Title Nanotube field and orientational properties of C70 molecules in carbon nanotubes Type A1 Journal article
Year 2007 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 75 Issue 4 Pages 045419,1-14
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The orientation of a C(70) fullerene molecule encapsulated in a single-walled carbon nanotube (SWCNT) depends on the tube radius. First we confirm that chirality effects do not affect the orientation as well by comparing discrete atomistic calculations with the results of a continuous tube approximation for a variety of SWCNTs. The molecular and the tube symmetry are exploited by using symmetry-adapted rotator functions. We accurately determine the optimal molecular orientation as a function of the tube radius; for low (less than or similar to 7 A) and high (greater than or similar to 7.2 A) tube radii, lying and standing molecular orientations are recovered, respectively. In between, we observe a transition regime. In addition, we consider off-axis positions. We perform a one-dimensional liquid description of a chain of on-axis C(70) molecules inside a SWCNT. All results agree well with recent x-ray diffraction experiments.
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000243895600128 Publication Date 2007-01-17
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 23 Open Access
Notes Approved Most recent IF: 3.836; 2007 IF: 3.172
Call Number UA @ lucian @ c:irua:63752 Serial 2280
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Author (down) Verberck, B.; Michel, K.H.
Title Nanotube field of C60 molecules in carbon nanotubes: atomistic versus continuous approach Type A1 Journal article
Year 2006 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 74 Issue 4 Pages 045421,1-14
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000239426800113 Publication Date 2006-07-22
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 31 Open Access
Notes Approved Most recent IF: 3.836; 2006 IF: 3.107
Call Number UA @ lucian @ c:irua:60090 Serial 2281
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Author (down) Verberck, B.; Michel, K.H.
Title Nanotube field of C60 and C70 molecules in carbon nanotubes Type A1 Journal article
Year 2007 Publication International journal of quantum chemistry Abbreviated Journal Int J Quantum Chem
Volume 107 Issue 13 Pages 2294-2319
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000249459800002 Publication Date 2007-02-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0020-7608;1097-461X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.92 Times cited 6 Open Access
Notes Approved Most recent IF: 2.92; 2007 IF: 1.368
Call Number UA @ lucian @ c:irua:65785 Serial 2282
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Author (down) Verberck, B.; Heresanu, V.; Rouziere, S.; Cambedouzou, J.; Launois, P.; Kovats, E.; Pekker, S.; Vliegenthart, G.A.; Michel, K.H.; Gompper, G.
Title Fullerene-cubane : X-ray scattering experiments and Monte Carlo simulations Type A1 Journal article
Year 2008 Publication Fullerenes, nanotubes, and carbon nanostructures T2 – 8th Biennial International Workshop on Fullerenes and Atomic Clusters, (IWFAC 2007), JUL 02-06, 2007, St Petersburg, RUSSIA Abbreviated Journal Fuller Nanotub Car N
Volume 16 Issue 5-6 Pages 293-300
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract We report single-crystal X-ray diffuse scattering measurements on C-60.C8H8 fullerene-cubane showing that the C-60 molecules are orientationally disordered at 300 and 150K and get ordered at low temperatures. Monte Carlo simulations provide further insight in the orientational behavior of both C-60 and C8H8 molecules; low-temperature molecular orientations are predicted.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000259645200003 Publication Date 2008-09-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1536-383X;1536-4046; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.35 Times cited 6 Open Access
Notes Approved Most recent IF: 1.35; 2008 IF: 0.680
Call Number UA @ lucian @ c:irua:102640 Serial 1295
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Author (down) Verberck, B.; Cambedouzou, J.; Vliegenthart, G.A.; Gompper, G.; Launois, P.
Title Monte Carlo studies of C60- and C70-peapods Type A1 Journal article
Year 2012 Publication Fullerenes, nanotubes, and carbon nanostructures Abbreviated Journal Fuller Nanotub Car N
Volume 20 Issue 4/7 Pages 371-377
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract We present results of Monte Carlo simulations of chains of C-60 and chains of C-70 molecules encapsulated in a single-walled carbon nanotube (SWCNT). We observe the changes in the configuration of the fullerene molecules when varying tube radius and temperature. In particular, the evolution of the pair correlation functions reveal a transition from linear harmonic chain behavior to a hard-sphere liquid upon heating, demonstrating the possibility of tuning properties of C-60- and C-70@SWCNT peapods with radius and temperature.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000304297500015 Publication Date 2012-05-14
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1536-383X;1536-4046; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.35 Times cited 1 Open Access
Notes ; Helpful discussions with K. H. Michel, P.-A. Albouy and C. Bousige are gratefully acknowledged. This work was financially supported by the Research Foundation-Flanders (FWO-Vl). ; Approved Most recent IF: 1.35; 2012 IF: 0.764
Call Number UA @ lucian @ c:irua:99003 Serial 2200
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