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Author Michel, K.H.; Verberck, B.; Nikolaev, A. openurl 
  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. openurl 
  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. pdf  doi
openurl 
  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  
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Author Michel, K.H.; Costamagna; Peeters, F.M. pdf  doi
openurl 
  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. pdf  doi
openurl 
  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  
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Author Michel, K.H.; Verberck, B. pdf  doi
openurl 
  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  
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Author Michel, K.H.; Verberck, B. doi  openurl
  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. doi  openurl
  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  
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Author Verberck, B.; Michel, K.H. doi  openurl
  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  
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Author Copley, J.R.D.; Michel, K.H. pdf  doi
openurl 
  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  
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Author Hervieu, M.; Michel, C.; Van Tendeloo, G.; Martin, C.; Maignan, A.; Raveau, B. doi  openurl
  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  
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Author Martin, C.; Hervieu, M.; Huvé, M.; Michel, C.; Maignan, A.; Van Tendeloo, G.; Raveau, B. openurl 
  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. pdf  doi
openurl 
  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. openurl 
  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. openurl 
  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. openurl 
  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. openurl 
  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. openurl 
  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. openurl 
  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. openurl 
  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  
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Author Michel, K.H. doi  openurl
  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  
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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. doi  openurl
  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. doi  openurl
  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. url  doi
openurl 
  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. doi  openurl
  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. doi  openurl
  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. pdf  doi
openurl 
  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. pdf  doi
openurl 
  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. pdf  doi
openurl 
  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. pdf  doi
openurl 
  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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