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Author Michel, K.H.; Verberck, B.; Nikolaev, A.
Title Mercator maps of orientations of a C60 molecule in single-walled nanotubes with distinct radii Type A1 Journal article
Year 2005 Publication AIP conference proceedings Abbreviated Journal
Volume (down) 786 Issue Pages 69-72
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We study the confinement of a C-60 molecule encapsulated in a cylindrical nanotube as a function of the tube radius. Drawing the Mercator maps of the potential, we find two distinct molecular orientations; for tubes with small radii, R-T less than or similar to 7 angstrom, a fivefold axis of the molecule coincides with the tube long axis, for larger radii, R-T less than or similar to 8 angstrom, a threefold axis of the molecule coincides with the tube long axis. These different orientations are caused by the relative importance of the repulsive and the attractive parts of the van der Waals potentials of the molecule with the tube wall for small and large tubes respectively. Experimental evidence is provided by the apparent splitting of A(g) modes of the C-60 molecule in resonant Raman scattering.
Address
Corporate Author Thesis
Publisher Amer inst physics Place of Publication Melville 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:94738 Serial 1993
Permanent link to this record
 
 
Author 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 (down) 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 Michel, K.H.; Neek-Amal, M.; Peeters, F.M.
Title Static flexural modes and piezoelectricity in 2D and layered crystals Type A1 Journal article
Year 2016 Publication Physica status solidi: B: basic research Abbreviated Journal Phys Status Solidi B
Volume (down) 253 Issue 253 Pages 2311-2315
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Piezo- and flexoelectricity are manifestations of electromechanical coupling in solids with potential applications in nanoscale materials. Naumov etal. [Phys. Rev. Lett. 102, 217601 (2009)] have shown by first principles calculations that a monolayer BN sheet becomes macroscopically polarized in-plane when in a corrugated state. Here, we investigate the interplay of layer corrugation and in-plane polarization by atomistic lattice dynamics. We treat the coupling between static flexural modes and in-plane atomic ion displacements as an anharmonic effect, similar to the membrane effect that is at the origin of negative thermal expansion in layered crystals. We have derived analytical expressions for the corrugation-induced static in-plane strains and the optical displacements with the resulting polarization response functions. Beyond h-BN, the theory applies to transition metal dichalcogenides and dioxides. Numerical calculations show that the effects are considerably stronger for 2D h-BN than for 2H-MoS2.
Address
Corporate Author Thesis
Publisher Place of Publication Berlin Editor
Language Wos 000390339000002 Publication Date 2016-10-21
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0370-1972 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.674 Times cited 5 Open Access
Notes ; The authors acknowledge useful discussions with L. Wirtz, A. Molina-Sanchez, and C. Sevik. This work was supported by the ESF-Eurographene project CONGRAN, and the Flemish Science Foundation (FWO-Vl). ; Approved Most recent IF: 1.674
Call Number UA @ lucian @ c:irua:140309 Serial 4462
Permanent link to this record
 
 
Author Michel, K.H.; Costamagna; Peeters, F.M.
Title Theory of thermal expansion in 2D crystals Type A1 Journal article
Year 2015 Publication Physica status solidi: B: basic research Abbreviated Journal Phys Status Solidi B
Volume (down) 252 Issue 252 Pages 2433-2437
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The thermal expansion alpha(T) in layered crystals is of fundamental and technological interest. As suggested by I. M. Lifshitz in 1952, in thin solid films (crystalline membranes) a negative contribution to alpha(T) is due to anharmonic couplings between in-plane stretching modes and out-of-plane bending (flexural modes). Genuine in-plane anharmonicities give a positive contribution to alpha(T). The competition between these two effects can lead to a change of sign (crossover) from a negative value of alpha(T) in a temperature (T) range T <= T-alpha to a positive value of alpha(T) for T > T-alpha in layered crystals. Here, we present an analytical lattice dynamical theory of these phenomena for a two-dimensional (2D) hexagonal crystal. We start from a Hamiltonian that comprises anharmonic terms of third and fourth order in the lattice displacements. The in-plane and out-of-plane contributions to the thermal expansion are studied as functions of T for crystals of different sizes. Besides, renormalization of the flexural mode frequencies plays a crucial role in determining the crossover temperature T-alpha. Numerical examples are given for graphene where the anharmonic couplings are determined from experiments. The theory is applicable to other layer crystals wherever the anharmonic couplings are known. (C) 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
Address
Corporate Author Thesis
Publisher Place of Publication Berlin Editor
Language Wos 000364690400014 Publication Date 2015-08-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0370-1972 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.674 Times cited 21 Open Access
Notes ; We thank B. Verberck, D. Lamoen, and A. Dobry for useful comments. We acknowledge funding from the FWO (Belgium)-MINCyT (Argentina) collaborative research project. This work is supported by the Euro GRAPHENE project CONGRAN. ; Approved Most recent IF: 1.674; 2015 IF: 1.489
Call Number UA @ lucian @ c:irua:130281 Serial 4264
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Author Michel, K.H.; Verberck, B.
Title Rigid-plane phonons in layered crystals Type A1 Journal article
Year 2012 Publication Physica status solidi: B: basic research Abbreviated Journal Phys Status Solidi B
Volume (down) 249 Issue 12 Pages 2604-2607
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The determination of the layer number ${\cal N}$ in nanoscale thin layered crystals is a challenging problem of technological relevance. In addition to innovative experimental techniques, a thorough knowledge of the underlying lattice dynamics is required. Starting from phenomenological atomic interaction potentials we have carried out an analytical study of the low-frequency optical phonon dispersions in layered crystals. At the gamma point of the two-dimensional Brillouin zone the optical phonon frequencies correspond to rigid-plane shearing and compression modes. We have investigated graphene multilayers (GML) and hexagonal boron-nitride multilayers (BNML). The frequencies show a characteristic dependence on ${\cal N}$. The results which are represented in the form of fan diagrams are very similar for both materials. Due to charge neutrality within layers Coulomb forces play no role, only van der Waals forces between nearest neighbor layers are relevant. The theoretical results agree with recent low-frequency Raman results on rigid-layer modes [Tan et al., Nature Mater. 11, 294 (2012)] in GML and double-resonant Raman scattering data on rigid-layer compression modes [Herziger et al., Phys. Rev. B 85, 235447 (2012)] in GML. (C) 2012 WILEY-VCH Verlag GmbH Co. KGaA, Weinheim
Address
Corporate Author Thesis
Publisher Place of Publication Berlin Editor
Language Wos 000312215300072 Publication Date 2012-11-19
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0370-1972; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.674 Times cited 1 Open Access
Notes ; This work has been supported by the Flemish Science Foundation (FWO-Vl) and the Bijzonder Onderzoeksfonds, Universiteit Antwerpen (BOF-UA). ; Approved Most recent IF: 1.674; 2012 IF: 1.489
Call Number UA @ lucian @ c:irua:105992 Serial 2907
Permanent link to this record
 
 
Author Michel, K.H.; Verberck, B.
Title Theory of phonon dispersions and piezoelectricity in multilayers of hexagonal boron-nitride Type A1 Journal article
Year 2011 Publication Physica status solidi: B: basic research Abbreviated Journal Phys Status Solidi B
Volume (down) 248 Issue 11 Pages 2720-2723
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Taking into account covalent, Coulomb and van der Waals interactions, we construct the dynamical matrix and calculate the phonon dispersion relations for multilayer crystals of hexagonal boron-nitride. Coulomb interactions account for a strong overbending of optical phonons. Applying and extending Born's long-wave theory to the case of multilayer crystals, we calculate the piezoelectric stress constant equation image as a function of the number of layers equation image. In agreement with group theory, we find that equation image for equation image even; for an uneven number equation image of layers we obtain equation image, i.e. the piezoelectric constant decreases as equation image.
Address
Corporate Author Thesis
Publisher Place of Publication Berlin Editor
Language Wos 000297517100069 Publication Date 2011-10-18
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0370-1972; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.674 Times cited 13 Open Access
Notes ; Discussions with G. Heger, B. Partoens and F. M. Peeters are gratefully acknowledged. This work has been supported by the Flemish Science Foundation (FWO-Vl) and the Bijzonder Onderzoeksfonds, Universiteit Antwerpen (BOF-UA). ; Approved Most recent IF: 1.674; 2011 IF: 1.316
Call Number UA @ lucian @ c:irua:94034 Serial 3618
Permanent link to this record
 
 
Author Michel, K.H.; Verberck, B.
Title Theoretical phonon dispersions in monolayers and multilayers of hexagonal boron-nitride Type A1 Journal article
Year 2009 Publication Physica status solidi: B: basic research Abbreviated Journal Phys Status Solidi B
Volume (down) 246 Issue 11/12 Pages 2802-2805
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Starting from an empirical force constant model of valence interactions and calculating by Ewald's method the electrostatic force constants, we derive the dynamical matrix for a monolayer and for multilayer systems of hexagonal boron nitride (h-BN). Solution of the secular problem leads to the corresponding phonon dispersion relations. The interplay between valence forces and Coulomb forces is discussed. A comparison with previous results on graphene and graphene multilayers is made. Our spectra on the h-BN monolayer are rather similar to previous ab initio theory results. Comparison is also made with Raman and infrared experimental results.
Address
Corporate Author Thesis
Publisher Place of Publication Berlin Editor
Language Wos 000272904100091 Publication Date 2009-11-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0370-1972; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.674 Times cited 10 Open Access
Notes Approved Most recent IF: 1.674; 2009 IF: 1.150
Call Number UA @ lucian @ c:irua:80673 Serial 3609
Permanent link to this record
 
 
Author Michel, K.H.; Verberck, B.
Title Theory of the elastic constants of graphite and graphene Type A1 Journal article
Year 2008 Publication Physica status solidi: B: basic research Abbreviated Journal Phys Status Solidi B
Volume (down) 245 Issue 10 Pages 2177-2180
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Born's long wave method is used to study the elastic properties of graphite and graphene. Starting from an empirical force constant model derived from full inplane phonon dispersions of graphite [Mohr et al., Phys. Rev. B 76, 035439 (2007)] we calculate the tension coefficients of graphene. Extending the model by interplanar interactions, we calculate the elastic constants of graphite. The agreement of our theoretical values with inelastic x-ray scattering results on elastic constants of graphite [Bosak et al., Phys. Rev. B 75, 153408 (2007)] is very satisfactory.
Address
Corporate Author Thesis
Publisher Place of Publication Berlin Editor
Language Wos 000260581800066 Publication Date 2008-08-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0370-1972; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.674 Times cited 47 Open Access
Notes Approved Most recent IF: 1.674; 2008 IF: 1.166
Call Number UA @ lucian @ c:irua:75660 Serial 3621
Permanent link to this record
 
 
Author 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 (down) 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
Permanent link to this record
 
 
Author Copley, J.R.D.; Michel, K.H.
Title Multiple orientational order parameters in solid C60 Type A1 Journal article
Year 1997 Publication Physica: B : condensed matter T2 – International Conference on Neutron Scattering, AUG 17-21, 1997, TORONTO, CANADA Abbreviated Journal Physica B
Volume (down) 241 Issue Pages 454-455
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The transition Fm (3) over bar m -->Pa (3) over bar in solid C-60 is driven by the condensation of orientational modes belonging to X-5(+) irreducible representations (irreps) of Fm (3) over bar m. Taking into account irreps up to the manifold l = 12, we have studied the primary and secondary orientational order parameters loops). We have numerically solved the coupled molecular field equations for these oops and calculated the temperature dependence of Bragg reflection intensities. (C) 1998 Elsevier Science B.V. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000074062600130 Publication Date 2002-07-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0921-4526; ISBN Additional Links UA library record; WoS full record
Impact Factor 1.386 Times cited Open Access
Notes Approved Most recent IF: 1.386; 1997 IF: 0.991
Call Number UA @ lucian @ c:irua:104360 Serial 2228
Permanent link to this record
 
 
Author Hervieu, M.; Michel, C.; Van Tendeloo, G.; Martin, C.; Maignan, A.; Raveau, B.
Title Copper oxycarbonates and mercury based cuprates: structural mechanisms of new superconductors Type A1 Journal article
Year 1994 Publication Physica: C : superconductivity Abbreviated Journal Physica C
Volume (down) 235/240 Issue Pages 25-28
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos A1994QA39000011 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; WoS citing articles
Impact Factor 0.942 Times cited 8 Open Access
Notes Approved COMPUTER SCIENCE, INTERDISCIPLINARY 11/104 Q1 # PHYSICS, MATHEMATICAL 1/53 Q1 #
Call Number UA @ lucian @ c:irua:10046 Serial 517
Permanent link to this record
 
 
Author Martin, C.; Hervieu, M.; Huvé, M.; Michel, C.; Maignan, A.; Van Tendeloo, G.; Raveau, B.
Title Lead-mercury based superconductors: the 1212 cuprate Pb0.7Hg0.3Sr2+xCa0.7Nd0.3-xCu2O7-\delta and the new oxycarbonate Pb0.7Hg0.3Sr4Cu2CO3O7 Type A1 Journal article
Year 1994 Publication Physica C-Superconductivity And Its Applications Abbreviated Journal Physica C
Volume (down) 222 Issue Pages 19-26
Keywords A1 Journal article; Electron Microscopy for Materials Science (EMAT);
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos A1994NB49400004 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 49 Open Access
Notes Approved no
Call Number UA @ lucian @ c:irua:10027 Serial 1812
Permanent link to this record
 
 
Author Martin, C.; Hervieu, M.; Huvé, M.; Michel, C.; Maignan, A.; Van Tendeloo, G.; Raveau, B.
Title Lead-mercury-based superconductors – the 1212-cuprate Pb0.7Hg0.3Sr2+xCa0.7Nd0.3-xCu2O7-\delta and the new oxycarbonate Pb0.7Hg0.3Sr4Cu2CO3O7 Type A1 Journal article
Year 1994 Publication Physica: C : superconductivity Abbreviated Journal Physica C
Volume (down) 222 Issue 1-2 Pages 19-26
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract A new superconducting mercury oxycarbonate, Pb0.7Hg0.3Sr4Cu2CO3O7, has been synthesized. This tetragonal phase (a = 3.824 angstrom, c= 16.468 angstrom) consists of an intergrowth of two nonsuperconducting compounds, Sr2CuO2CO3 and Pb0.7Hg0.3Sr2CuO5. It exhibits after optimization a critical temperature of 70 K, with a sharp transition and a superconducting volume fraction of 50%. Its behavior can be compared to that of thallium oxycarbonates previously isolated. This study is completed by a reinvestigation of the 1212 cuprate of the system Hg-Pb-Sr-Ca-Nd-Cu. A superconducting phase with the 1212 structure, similar to that previously obtained but with a significantly different composition, Pb0.7Hg0.3Sr2+xCa0.7Nd0.3-xCu2O7, has been obtained, with a T(c onset) of 100 K. The behavior of the latter is compared with other lead-based 1212 cuprates.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos A1994NB49400004 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; WoS citing articles
Impact Factor 0.942 Times cited 49 Open Access
Notes Approved no
Call Number UA @ lucian @ c:irua:104517 Serial 1813
Permanent link to this record
 
 
Author Pelloquin, D.; Hervieu, M.; Michel, C.; Van Tendeloo, G.; Maignan, A.; Raveau, B.
Title A 94K Hg-based superconductor with a “1212” structure HG0.5Bi0.5Sr2Ca1-xRxCu2O6+\delta (R=ND,Y,Pr) Type A1 Journal article
Year 1993 Publication Physica: C : superconductivity Abbreviated Journal Physica C
Volume (down) 216 Issue Pages 257-263
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos A1993ME74800004 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 62 Open Access
Notes Approved no
Call Number UA @ lucian @ c:irua:6844 Serial 21
Permanent link to this record
 
 
Author Hervieu, M.; Van Tendeloo, G.; Maignan, A.; Michel, C.; Goutenoire, F.; Raveau, B.
Title New 1212-type superconductors with a Tc up to 85K in the system Hg-Pr-Sr-Ca-Cu-O Type A1 Journal article
Year 1993 Publication Physica: C : superconductivity Abbreviated Journal Physica C
Volume (down) 216 Issue Pages 264-272
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos A1993ME74800005 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 66 Open Access
Notes Approved CHEMISTRY, PHYSICAL 77/144 Q3 # MATHEMATICS, INTERDISCIPLINARY 19/101 Q1 # PHYSICS, ATOMIC, MOLECULAR & CHEMICAL 17/35 Q2 #
Call Number UA @ lucian @ c:irua:6845 Serial 2303
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Author Goutenoire, F.; Daniel, P.; Hervieu, M.; Van Tendeloo, G.; Michel, C.; Maignan, A.; Raveau, B.
Title New mercury-based superconductors with the “1201” structure Hg0.4Pr0.6Sr2-xPrxCuO4+\delta and Hg0.3Pb0.7Sr2-xLaxCuO4+\delta Type A1 Journal article
Year 1993 Publication Physica: C : superconductivity Abbreviated Journal Physica C
Volume (down) 216 Issue Pages 243-249
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos A1993ME74800002 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 50 Open Access
Notes Approved
Call Number UA @ lucian @ c:irua:6843 Serial 2322
Permanent link to this record
 
 
Author Maignan, A.; Michel, C.; Van Tendeloo, G.; Hervieu, M.; Raveau, B.
Title Superconductivity up to 110K in the 1212-Hg based cuprate Nd1-xCaxBa2Hg1-xCu2+xO6+y Type A1 Journal article
Year 1993 Publication Physica: C : superconductivity Abbreviated Journal Physica C
Volume (down) 216 Issue Pages 1-5
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos A1993MD16100001 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 32 Open Access
Notes Approved PHYSICS, APPLIED 28/145 Q1 #
Call Number UA @ lucian @ c:irua:6848 Serial 3375
Permanent link to this record
 
 
Author Pelloquin, D.; Michel, C.; Van Tendeloo, G.; Maignan, A.; Hervieu, M.; Raveau, B.
Title A new “1201” mercury cuprate: the 27K-superconductor HG0.5Bi0.5Sr2-xLaxCuO5-\delta Type A1 Journal article
Year 1993 Publication Physica: C : superconductivity Abbreviated Journal Physica C
Volume (down) 214 Issue Pages 87-92
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos A1993LW02700011 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 62 Open Access
Notes Approved CHEMISTRY, PHYSICAL 77/144 Q3 # MATHEMATICS, INTERDISCIPLINARY 19/101 Q1 # PHYSICS, ATOMIC, MOLECULAR & CHEMICAL 17/35 Q2 #
Call Number UA @ lucian @ c:irua:6849 Serial 2301
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Author Martin, C.; Huvé, M.; Van Tendeloo, G.; Maignan, A.; Michel, C.; Hervieu, M.; Raveau, B.
Title A mercury based superconducting cuprate, intergrowth of the 2201 and 1201 structures Tl2HgBa4Cu2O10+y Type A1 Journal article
Year 1993 Publication Physica: C : superconductivity Abbreviated Journal Physica C
Volume (down) 212 Issue Pages 274-278
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos A1993LN08500004 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 21 Open Access
Notes Approved no
Call Number UA @ lucian @ c:irua:7500 Serial 1996
Permanent link to this record
 
 
Author Maignan, A.; Van Tendeloo, G.; Hervieu, M.; Michel, C.; Raveau, B.
Title A new “1212” mercury-based 90K superconductor: (Hg1-xMx)O6+y Type A1 Journal article
Year 1993 Publication Physica: C : superconductivity Abbreviated Journal Physica C
Volume (down) 212 Issue Pages 239-244
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos A1993LL33900033 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 36 Open Access
Notes Approved CHEMISTRY, PHYSICAL 77/144 Q3 # MATHEMATICS, INTERDISCIPLINARY 19/101 Q1 # PHYSICS, ATOMIC, MOLECULAR & CHEMICAL 17/35 Q2 #
Call Number UA @ lucian @ c:irua:6846 Serial 2302
Permanent link to this record
 
 
Author Michel, K.H.
Title Sequence of orientational phase transitions in solid C60 Type A1 Journal article
Year 1992 Publication Chemical physics letters Abbreviated Journal Chem Phys Lett
Volume (down) 193 Issue Pages 478-480
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos A1992HZ32900006 Publication Date 2002-07-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0009-2614; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.897 Times cited 14 Open Access
Notes Approved MATERIALS SCIENCE, MULTIDISCIPLINARY 96/271 Q2 #
Call Number UA @ lucian @ c:irua:2971 Serial 2985
Permanent link to this record
 
 
Author Van Slycken, S.; Witters, N.; Meers, E.; Peene, A.; Michels, E.; Adriaensen, K.; Ruttens, A.; Vangronsveld, J.; Du Laing, G.; Wierinck, I.; Van Dael, M.; Van Passel, S.; Tack, F.M.G.
Title Safe use of metal-contaminated agricultural land by cultivation of energy maize (Zea mays) Type A1 Journal article
Year 2013 Publication Environmental Pollution Abbreviated Journal Environ Pollut
Volume (down) 178 Issue Pages 375-380
Keywords A1 Journal article; Economics
Abstract Production of food crops on trace element-contaminated agricultural lands in the Campine region (Belgium) can be problematic as legal threshold values for safe use of these crops can be exceeded. Conventional sanitation of vast areas is too expensive and alternatives need to be investigated. Zea mays on a trace element-contaminated soil in the region showed an average yield of 53 ± 10 Mg fresh or 20 ± 3 Mg dry biomass ha−1. Whole plant Cd concentrations complied with legal threshold values for animal feed. Moreover, threshold values for use in anaerobic digestion were met. Biogas production potential did not differ between maize grown on contaminated and non-contaminated soils. Results suggested favorable perspectives for farmers to generate non-food crops profitably, although effective soil cleaning would be very slow. This demonstrates that a valuable and sustainable alternative use can be generated for moderately contaminated soils on which conventional agriculture is impaired.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000320487700050 Publication Date 2013-04-22
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0269-7491 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 5.099 Times cited 30 Open Access
Notes ; This research was funded by the Institute for the promotion of Innovation by Science and Technology in Flanders (IWT-Flanders, Grant IWT/CLO/50702). We want to thank OVAM, as the planting and management of this site is part of a demonstration project in the context of the INTERREG-project BENEKEMPEN. Also many thanks to laboratory staff of the departments and to Pioneer and KWS for providing the seeds. ; Approved Most recent IF: 5.099; 2013 IF: 3.902
Call Number UA @ admin @ c:irua:129870 Serial 6247
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Author Michel, K.H.; Verberck, B.; Hulman, M.; Kuzmany, H.; Krause, M.
Title Superposition of quantum and classical rotational motions in Sc2C2@C84 fullerite Type A1 Journal article
Year 2007 Publication The journal of chemical physics Abbreviated Journal J Chem Phys
Volume (down) 126 Issue 6 Pages 064304,1-15
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000244250200008 Publication Date 2007-02-09
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 14 Open Access
Notes Approved Most recent IF: 2.965; 2007 IF: 3.044
Call Number UA @ lucian @ c:irua:63628 Serial 3381
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Author Nikolaev, A.V.; Michel, K.H.
Title Superexchange and electron correlations in alkali fullerides AC60, A=K, Rb, Cs Type A1 Journal article
Year 2005 Publication The journal of chemical physics Abbreviated Journal J Chem Phys
Volume (down) 122 Issue 6 Pages 064310-64314
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Superexchange interactions in alkali fullerides AC(60) are derived for C-60 molecular ions separated by interstitial alkali-metal ions. We use a multiconfiguration approach which comprises the lowest molecular orbital states of the C-60 molecule and the excited s and d states of the alkali-metal atom A. Interactions are described by the valence bond (Heitler-London) method for a complex (C-60 – A – C-60) – with two valence electrons. The electronic charge transfer between the alkali-metal atom and a neighboring C-60 molecule is not complete. The occupation probability of excited d and s states of the alkali atom is not negligible. In correspondence with the relative positions of the C-60 molecules and A atoms in the polymer crystal, we consider 180degrees and 90degrees (angle) superexchange pathways. For the former case the ground state is found to be a spin singlet separated from a triplet at similar to20 K. For T < 20 K there appear strong spin correlations for the 180degrees superexchange pathway. The results are related to spin lattice relaxation experiments on CsC60 in the polymerized and in the quenched cubic phase. (C) 2005 American Institute of Physics.
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000226918100018 Publication Date 2005-02-02
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 11 Open Access
Notes Approved Most recent IF: 2.965; 2005 IF: 3.138
Call Number UA @ lucian @ c:irua:102740 Serial 3377
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Author Neek-Amal, M.; Beheshtian, J.; Sadeghi, A.; Michel, K.H.; Peeters, F.M.
Title Boron nitride mono layer : a strain-tunable nanosensor Type A1 Journal article
Year 2013 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
Volume (down) 117 Issue 25 Pages 13261-13267
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract The influence of triaxial in-plane strain on the electronic properties of a hexagonal boron-nitride sheet is investigated using density functional theory. Different from graphene, the triaxial strain localizes the molecular orbitals of the boron-nitride flake in its center depending on the direction of the applied strain. The proposed technique for localizing the molecular orbitals that are close to the Fermi level in the center of boron nitride flakes can be used to actualize engineered nanosensors, for instance, to selectively detect gas molecules. We show that the central part of the strained flake adsorbs polar molecules more strongly as compared with an unstrained sheet.
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor
Language Wos 000321236400041 Publication Date 2013-06-03
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1932-7447;1932-7455; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.536 Times cited 38 Open Access
Notes ; This work was supported by the EU-Marie Curie IIF postdoc Fellowship/299855 (for M.N.-A.), the ESF EuroGRAPHENE project CONGRAN, the Flemish Science Foundation (FWO-VI), and the Methusalem Funding of the Flemish government. AS. would like to thank the Universiteit Antwerpen for its hospitality. ; Approved Most recent IF: 4.536; 2013 IF: 4.835
Call Number UA @ lucian @ c:irua:109829 Serial 249
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Author Nikolaev, A.V.; Michel, K.H.
Title Electronic structure and electric quadrupoles of a polymerized chain in solid AC60 Type A1 Journal article
Year 2001 Publication Solid state communications Abbreviated Journal Solid State Commun
Volume (down) 117 Issue Pages 739-743
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000167538300010 Publication Date 2002-07-25
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 10 Open Access
Notes Approved Most recent IF: 1.554; 2001 IF: 1.381
Call Number UA @ lucian @ c:irua:36881 Serial 1009
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Author 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 (down) 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 Hervieu, M.; Van Tendeloo, G.; Michel, C.; Martin, C.; Maignan, A.; Raveau, B.
Title Synthesis and characterization of mercury based “1222” cuprates (Hg1-xMx)(Sr,Ba)2Pr2Cu2O9-\delta (M = Pr, Pb, Bi, Tl) Type A1 Journal article
Year 1995 Publication Journal of solid state chemistry Abbreviated Journal J Solid State Chem
Volume (down) 115 Issue Pages 525-531
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Five new layered cuprates, with a 1222-type structure, have been synthesized according to the formula (Hg(1-x)M(x))(Sr,Ba)(2) Pr2Cu2O9-delta with M = Pr, Pb, Pi, and Tl. They crystallize in a tetragonal cell with a approximate to a(p) and c approximate to 29.5 Angstrom; their structure consists in a triple intergrowth of oxygen-deficient perovskite, rock-salt-and fluorite-type layers. They are characterized by a mixed [Hg(1-x)M(x)O(1-delta)] layer in the rock-sail-type slice. The ED and HREM studies show that Tl, Bi, and Pb are statistically distributed in the mixed [Hg(1-x)M(x)O(1-delta)] layer, contrary to Pr which involves an ordering phenomenon along a. Different stacking defects are observed and discussed as well as the cleavage mode of the crystals. (C) 1995 Academic Press, Inc.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos A1995QN27700033 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 5 Open Access
Notes Approved MATERIALS SCIENCE, MULTIDISCIPLINARY 135/271 Q2 # PHYSICS, APPLIED 70/145 Q2 # PHYSICS, CONDENSED MATTER 40/67 Q3 #
Call Number UA @ lucian @ c:irua:13311 Serial 3412
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Author Huve, M.; Martin, C.; Maignan, A.; Michel, C.; Van Tendeloo, G.; Hervieu, M.; Raveau, B.
Title A new cuprate with mercury bilayers : the “2222” oxide Hg2-xMxBa2Pr2Cu2O10-\delta (M= Cu,Pr) Type A1 Journal article
Year 1995 Publication Journal of solid state chemistry Abbreviated Journal J Solid State Chem
Volume (down) 114 Issue 1 Pages 230-235
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract A ''2222'' cuprate with mercury bilayers (Hg1.5Cu0.2Pr0.3)Ba2Pr2Cu2O10-delta, has been synthesized for the first time. It crystallizes in the P4/nmm space group with a = 3.9072(1) Angstrom and c = 17.219(1) Angstrom. The powder XRD and HREM studies of this new cuprate show that its structure consists of an intergrowth of double pyramidal (oxygen-deficient perovskite) copper layers, with double fluorite-type layers and distorted triple rock salt layers (mercury bilayers). The structure of this phase can be deduced from that of the ''2212'' mercury cuprate (Hg1.5Cu0.2Pr0.3)Ba2PrCu2O8-delta by the introduction of one additional [PrO2]infinity fluorite layer. The regular stacking of the metallic layer and the uniform cationic distribution in the mercury bilayers are remarkable features of this cuprate. The stabilization of the mercury bilayers by praseodymium and the absence of superconductivity are discussed. (C) 1995 Academic Press, Inc.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos A1995QA17000033 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 6 Open Access
Notes Approved PHYSICS, APPLIED 28/145 Q1 #
Call Number UA @ lucian @ c:irua:104448 Serial 2310
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Author Zhang, X.F.; Van Tendeloo, G.; Amelinckx, S.; Pelloquin, D.; Michel, C.; Hervieu, M.; Raveau, B.
Title Structural aspects of Bi2-xPbxSr3.5Cu2(CO3)O8-\delta for 0\leq x\leq0.75 : an electron-microscopy study Type A1 Journal article
Year 1994 Publication Journal of solid state chemistry Abbreviated Journal J Solid State Chem
Volume (down) 113 Issue 2 Pages 327-344
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The structure and defect structure of Bi2-xPbxSr3.5Cu2 (CO3)O8-delta compounds with 0 less-than-or-equal-to x less-than-or-equal-to 0.75 are carefully investigated by electron diffraction and high-resolution electron microscopy. All compounds have an orthorhombic structure with a almost-equal-to b almost-equal-to 5.4 angstrom and c almost-equal-to 39.5 angstrom. The length of the b-axis decreases monotonically with increasing x. The space group for the basic structure is Abm2. The structure can be considered as an intergrowth of Bi2Sr2CuO6 lamellae with Sr2CuO2 (CO3) lamellae along the c-axis. CO3 groups behave as bridges connecting the CuO6 octahedra. In the x = 0 compound the carbon atoms are shifted away from their symmetry positions; the orientational ordering of the CO3 groups (or the carbon shift) in successive CO planes alternates along +b and -b. Typical Bi-type and Pb-type modulations are found along the b-axis up to a Pb content x = 0.5. Electron beam irradiation destroys the ordering of the CO3 groups and alters the modulated structure. (C) 1994 Academic press, inc.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos A1994PX18600016 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 8 Open Access
Notes Approved
Call Number UA @ lucian @ c:irua:99810 Serial 3210
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