Home << 1 2 3 4 >>
List View
 | 
Citations
 | 
Details
   web
Records
Author Lynden-Bell, R.M.; Michel, K.H.
Title Translation-rotation coupling, phase transitions and elastic phenomena in orientationally disordered crystals Type A1 Journal article
Year 1994 Publication Reviews of modern physics Abbreviated Journal Rev Mod Phys
Volume 66 Issue Pages 721-762
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication New York Editor
Language Wos A1994PG73600003 Publication Date 2002-09-05
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0034-6861;1539-0756; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 29.604 Times cited (down) 128 Open Access
Notes Approved no
Call Number UA @ lucian @ c:irua:9359 Serial 3702
Permanent link to this record
 
 
Author Michel, K.H.; Verberck, B.
Title Theory of elastic and piezoelectric effects in two-dimensional hexagonal boron nitride Type A1 Journal article
Year 2009 Publication Physical review : B : solid state Abbreviated Journal Phys Rev B
Volume 80 Issue 22 Pages 224301,1-224301,10
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Starting from an empirical force constant model of valence interactions and calculating by Ewalds method the ion-ion force constants, we derive the dynamical matrix for a monolayer crystal of hexagonal boron nitride (h-BN). The phonon dispersion relations are calculated. The interplay between valence and Coulomb forces is discussed. It is shown by analytical methods that the longitudinal and the transverse optical (LO and TO) phonon branches for in-plane motion are degenerate at the Γ point of the Brillouin zone. Away from Γ, the LO branch exhibits pronounced overbending. It is found that the nonanalytic Coulomb contribution to the dynamical matrix causes a linear increase of the LO branch with increasing wave vector starting at Γ. This effect is general for two-dimensional (2D) ionic crystals. Performing a long-wavelength expansion of the dynamical matrix, we use Borns perturbation method to calculate the elastic constants (tension coefficients). Since the crystal is noncentrosymmetric, internal displacements due to relative shifts between the two sublattices (B and N) contribute to the elastic constants. These internal displacements are responsible for piezoelectric and dielectric phenomena. The piezoelectric stress constant and the dielectric susceptibility of 2D h-BN are calculated.
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000273228500045 Publication Date 2009-12-21
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 (down) 96 Open Access
Notes Approved Most recent IF: 3.836; 2009 IF: 3.475
Call Number UA @ lucian @ c:irua:80576 Serial 3616
Permanent link to this record
 
 
Author Michel, K.H.; Copley, J.R.D.; Neumann, D.A.
Title Microscopic theory of orientational disorder and the orientational phase transition in solid C60 Type A1 Journal article
Year 1992 Publication Physical review letters Abbreviated Journal Phys Rev Lett
Volume 68 Issue 19 Pages 2929-2932
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We have developed a microscopic theory which describes the orientational dynamics of C60 molecules in the face-centered-cubic phase of C60 fullerite. The molecular interaction potential and the crystal-field potential are formulated in terms of symmetry-adapted rotator functions. The phase transition to the Pa3BAR structure is driven by an active multipolar mode of T2g symmetry belonging to the l = 10 manifold. The Birman criterion is satisfied. The transition is found to be of first order.
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos A1992HT64800019 Publication Date 2002-07-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0031-9007; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 7.512 Times cited (down) 94 Open Access
Notes Approved
Call Number UA @ lucian @ c:irua:95492 Serial 2032
Permanent link to this record
 
 
Author Michel, K.H.; Verberck, B.
Title Phonon dispersions and piezoelectricity in bulk and multilayers of hexagonal boron nitride Type A1 Journal article
Year 2011 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 83 Issue 11 Pages 115328-115328,14
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract A unified theory of phonon dispersions and piezoelectricity in bulk and multilayers of hexagonal boron nitride (h-BN) is derived. The dynamical matrix is calculated on the basis of an empirical force constant model of intralayer valence and interlayer van der Waals interactions. Coulomb interactions are calculated by Ewalds method, adapted for the three-dimensional (3D) and the multilayer case. The deformation of the ionic charge distribution with long-wave lattice displacements is taken into account. Special attention is devoted to the nonanalytic long-range Coulomb contribution to the dynamical matrix which is different for the 3D crystal and the multilayer case. Consequently there is a splitting of the transverse optical (TO) and longitudinal optical (LO) phonon branches of E1u symmetry and a discontinuity of the A2u branch at the Γ point in 3D h-BN. No such splitting and discontinuity at Γ are present in multilayer crystals with a finite number N of layers. There a diverging bundle of N overbending optical phonon branches emerges from Γ. Borns long-wave theory is applied and extended for the study of piezoelectricity in layered crystals. While 3D h-BN and h-BN multilayers with an even number of layers (symmetry D6h) are not piezoelectric, multilayers with an uneven number of Nu layers (symmetry D3h) are piezoelectric; the piezoelectric coefficient e1,11 is inversely proportional to Nu.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000288783700005 Publication Date 2011-03-24
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 (down) 82 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-V1) and the Bijzonder Onderzoeksfonds, Universiteit Antwerpen (BOF-UA). ; Approved Most recent IF: 3.836; 2011 IF: 3.691
Call Number UA @ lucian @ c:irua:89602 Serial 2603
Permanent link to this record
 
 
Author Bussmann-Holder, A.; Michel, K.H.
Title Bond geometry and phase transition mechanism of H-bonded ferroelectricity Type A1 Journal article
Year 1998 Publication Physical review letters Abbreviated Journal Phys Rev Lett
Volume 80 Issue Pages 2173-2176
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000072385400037 Publication Date 2002-07-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0031-9007;1079-7114; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 8.462 Times cited (down) 81 Open Access
Notes Approved Most recent IF: 8.462; 1998 IF: 6.017
Call Number UA @ lucian @ c:irua:23987 Serial 246
Permanent link to this record
 
 
Author Michel, K.H.; Verberck, B.
Title Theory of the evolution of phonon spectra and elastic constants from graphene to graphite Type A1 Journal article
Year 2008 Publication Physical review : B : solid state Abbreviated Journal Phys Rev B
Volume 78 Issue 8 Pages 085424,1-085424,17
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We present a unified theory of the phonon dispersions and elastic properties of graphene, graphite, and graphene multilayer systems. Starting from a fifth-nearest-neighbor force-constant model derived from full in-plane phonon dispersions of graphite [Mohr et al., Phys. Rev. B 76, 035439 (2007)], we use Born's long-wave method to calculate the tension and bending coefficients of graphene. Extending the model by interplanar interactions, we study the phonon dispersions and the elastic constants of graphite, and the phonon spectra of graphene multilayers. We find that the inner displacement terms due to sublattice shifts between inequivalent C atoms are quantitatively important in determining the elastomechanical properties of graphene and of graphite. The overall agreement between theory and experiment is very satisfactory. We investigate the evolution from graphene to graphite by studying the increase in the rigid plane optical mode as a function of the number of layers N. At N=10 the graphite value B2g1127 cm−1 is attained within a few percent.
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000259406900106 Publication Date 2008-08-21
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 (down) 72 Open Access
Notes Approved Most recent IF: 3.836; 2008 IF: 3.322
Call Number UA @ lucian @ c:irua:76527 Serial 3622
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 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 (down) 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
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 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 (down) 62 Open Access
Notes Approved no
Call Number UA @ lucian @ c:irua:6844 Serial 21
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 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 (down) 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
Permanent link to this record
 
 
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 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 (down) 50 Open Access
Notes Approved
Call Number UA @ lucian @ c:irua:6843 Serial 2322
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 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 (down) 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 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 (down) 49 Open Access
Notes Approved no
Call Number UA @ lucian @ c:irua:104517 Serial 1813
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 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 (down) 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 Beheshtian, J.; Sadeghi, A.; Neek-Amal, M.; Michel, K.H.; Peeters, F.M.
Title Induced polarization and electronic properties of carbon-doped boron nitride nanoribbons Type A1 Journal article
Year 2012 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 86 Issue 19 Pages 195433-195438
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The electronic properties of boron nitride nanoribbons (BNNRs) doped with a line of carbon atoms are investigated using density functional calculations. By replacing a line of alternating B and N atoms with carbons, three different configurations are possible depending on the type of the atoms which bond to the carbons. We found very different electronic properties for these configurations: (i) the NCB arrangement is strongly polarized with a large dipole moment having an unexpected direction, (ii) the BCB and NCN arrangements are nonpolar with zero dipole moment, (iii) the doping by a carbon line reduces the band gap regardless of the local arrangement of the borons and the nitrogens around the carbon line, and (iv) the polarization and energy gap of the carbon-doped BNNRs can be tuned by an electric field applied parallel to the carbon line. Similar effects were found when either an armchair or zigzag line of carbon was introduced.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000311694200006 Publication Date 2012-11-29
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 (down) 41 Open Access
Notes ; We would like to thank J. M. Pereira and S. Goedecker for helpful discussions. This work was supported by the Flemish Science Foundation (FWO-Vl), the ESF-EuroGRAPHENE project CONGRAN. M. N.-A is supported by EU-Marie Curie IIF postdoc Fellowship/299522. ; Approved Most recent IF: 3.836; 2012 IF: 3.767
Call Number UA @ lucian @ c:irua:105136 Serial 1603
Permanent link to this record
 
 
Author Michel, K.H.; Verberck, B.; Nikolaev, A.V.
Title Anisotropic packing and one-dimensional fluctuations of C60 molecules in carbon nanotubes Type A1 Journal article
Year 2005 Publication Physical review letters Abbreviated Journal Phys Rev Lett
Volume 95 Issue 18 Pages 185506-185506,4
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The confinement of a C-60 molecule encapsulated in a cylindrical nanotube depends on the tube radius. In small tubes with radius R-T less than or similar to 7 A, a fivefold axis of the molecule coincides with the tube axis. The interaction between C-60 molecules in the nanotube is then described by a O-2-rotor model on a 1D liquid chain with coupling between orientational and displacive correlations. This coupling leads to chain contraction. The structure factor of the 1D liquid is derived. In tubes with a larger radius the molecular centers of mass are displaced off the tube axis. The distinction of two groups of peapods with on- and off-axis molecules suggests an explanation of the apparent splitting of A(g) modes of C-60 in nanotubes measured by resonant Raman scattering.
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000232887400041 Publication Date 2005-10-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0031-9007;1079-7114; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 8.462 Times cited (down) 40 Open Access
Notes Approved Most recent IF: 8.462; 2005 IF: 7.489
Call Number UA @ lucian @ c:irua:94717 Serial 127
Permanent link to this record
 
 
Author Lamoen, D.; Michel, K.H.
Title Crystal field, orientational order, and lattice contraction in solid C60 Type A1 Journal article
Year 1994 Publication The journal of chemical physics Abbreviated Journal J Chem Phys
Volume 101 Issue Pages 1435-1443
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract A model of the intermolecular potential in solid C-60, which is based on Born-Mayer repulsions, van der Waals attractions, and electrostatic multipoles, is presented. The potential is expanded in terms of multipolar rotator functions. The orientation-orientation interaction and the crystal field are calculated. The orientational phase transition to the Pa3 phase is studied with the methods of statistical mechanics. The discontinuity of the order parameter at the transition and the temperature evolution of the order parameter are calculated. The lattice contraction at the phase transition is evaluated. The influence of the lattice contraction on the crystal field and on the orientational order is studied.
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos A1994NW97900058 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 2.952 Times cited (down) 39 Open Access
Notes Approved CHEMISTRY, PHYSICAL 54/144 Q2 # PHYSICS, ATOMIC, MOLECULAR & CHEMICAL 9/35 Q2 #
Call Number UA @ lucian @ c:irua:9361 Serial 554
Permanent link to this record
 
 
Author Cotte, M.; Pouyet, E.; Salome, M.; Rivard, C.; De Nolf, W.; Castillo-Michel, H.; Fabris, T.; Monico, L.; Janssens, K.; Wang, T.; Sciau, P.; Verger, L.; Cormier, L.; Dargaud, O.; Brun, E.; Bugnazet, D.; Fayard, B.; Hesse, B.; del Real, A.E.P.; Veronesi, G.; Langlois, J.; Balcar, N.; Vandenberghe, Y.; Sole, V.A.; Kieffer, J.; Barrett, R.; Cohen, C.; Cornu, C.; Baker, R.; Gagliardini, E.; Papillon, E.; Susini, J.
Title The ID21 X-ray and infrared microscopy beamline at the ESRF: status and recent applications to artistic materials Type A1 Journal article
Year 2017 Publication Journal of analytical atomic spectrometry Abbreviated Journal J Anal Atom Spectrom
Volume 32 Issue 3 Pages 477-493
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract The ID21 beamline (European Synchrotron Radiation facility, France) is a multi micro-analytical platform combining X-ray and infrared micro-probes, for characterization of elements, species, molecular groups and crystalline structures in complex materials. Applications are mainly in the fields of cultural heritage, life science, environmental and earth sciences, materials sciences. Here, we first present the status of instruments: (i) the scanning micro-spectroscopy end-station, operating from 2.0 to 9.2 keV, under vacuum and offering cryo conditions, for the acquisition of 2D micro X-ray fluorescence (mu XRF) maps, single point micro X-ray Absorption Near Edge Structure (mu XANES) spectra and speciation maps with sub-micrometric resolution; (ii) the XANES full-field end-station, operating in the same vacuum and energy conditions, for the acquisition of hyper-spectral radiographs of thin concentrated samples, resulting in speciation maps with micrometric resolution and millimetric field of view; (iii) the scanning micro-X-ray diffraction (mu XRD)/mu XRF end-station, operating at 8.5 keV, in air, for the acquisition of 2D crystalline phase maps, with micrometric resolution; and (iv) the scanning infrared microscope, operating in the mid-infrared range for the acquisition of molecular maps and some structural maps with micrometric resolution. Recent hardware and software developments are presented, as well as new protocols for improved sample preparation of thin sections. Secondly, a review of recent applications for the study of cultural heritage is presented, illustrated by various examples: determination of the origin of the color in blue Chinese porcelains and in brown Sevres porcelains; detection of lead in ink on Herculaneum papyri; identification and degradation of modeling materials used by Auguste Rodin and of chrome yellow pigments used by Vincent van Gogh. Cryo capabilities are illustrated by the analysis of plants exposed to chromate solutions. These examples show the variety of materials analyzed, of questions tackled, and particularly the multiple advantages of the ID21 analytical platform for the analysis of ancient and artistic materials.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000396286900002 Publication Date 2016-12-14
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0267-9477 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.379 Times cited (down) 39 Open Access
Notes ; ; Approved Most recent IF: 3.379
Call Number UA @ admin @ c:irua:142493 Serial 5874
Permanent link to this record
 
 
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 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 (down) 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
Permanent link to this record
 
 
Author Michel, K.H.; Verberck, B.
Title Theory of rigid-plane phonon modes in layered crystals Type A1 Journal article
Year 2012 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 85 Issue 9 Pages 094303-094303,11
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The lattice dynamics of low-frequency rigid-plane modes in metallic (graphene multilayers, GML) and in insulating (hexagonal boron-nitride multilayers, BNML) layered crystals is investigated. The frequencies of shearing and compression (stretching) modes depend on the layer number N and are presented in the form of fan diagrams. The results for GML and BNML are very similar. In both cases, only the interactions (van der Waals and Coulomb) between nearest-neighbor planes are effective, while the interactions between more distant planes are screened. A comparison with recent Raman scattering results on low-frequency shear modes in GML [Tan et al., Nat. Mater., in press, doi: 10.1038/nmat3245, (2012)] is made. Relations with the low-lying rigid-plane phonon dispersions in the bulk materials are established. Master curves, which connect the fan diagram frequencies for any given N, are derived. Static and dynamic thermal correlation functions for rigid-layer shear and compression modes are calculated. The results might be of use for the interpretation of friction force experiments on multilayer crystals.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000301646000006 Publication Date 2012-03-19
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 (down) 38 Open Access
Notes ; The authors are indebted to J. Maultzsch for bringing Ref. 20 to their attention. They thank D. Lamoen, F.M. Peeters, B. Trauzettel, and C. Van Haesendonck for useful discussions. This work has been financially supported by the Research Foundation Flanders (FWO). ; Approved Most recent IF: 3.836; 2012 IF: 3.767
Call Number UA @ lucian @ c:irua:97787 Serial 3619
Permanent link to this record
 
 
Author Michel, K.H.; Costamagna; Peeters, F.M.
Title Theory of anharmonic phonons in two-dimensional crystals Type A1 Journal article
Year 2015 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 91 Issue 91 Pages 134302
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Anharmonic effects in an atomic monolayer thin crystal with honeycomb lattice structure are investigated by analytical and numerical lattice dynamical methods. Starting from a semiempirical model for anharmonic couplings of third and fourth orders, we study the in-plane and out-of-plane (flexural) mode components of the generalized wave vector dependent Gruneisen parameters, the thermal tension and the thermal expansion coefficients as a function of temperature and crystal size. From the resonances of the displacement-displacement correlation functions, we obtain the renormalization and decay rate of in-plane and flexural phonons as a function of temperature, wave vector, and crystal size in the classical and in the quantum regime. Quantitative results are presented for graphene. There, we find that the transition temperature T-alpha from negative to positive thermal expansion is lowered with smaller system size. Renormalization of the flexural mode has the opposite effect and leads to values of T-alpha approximate to 300 K for systems of macroscopic size. Extensive numerical analysis throughout the Brillouin zone explores various decay and scattering channels. The relative importance of normal and umklapp processes is investigated. The work is complementary to crystalline membrane theory and computational studies of anharmonic effects in two-dimensional crystals.
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000353031000001 Publication Date 2015-04-17
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 (down) 38 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 EuroGRAPHENE project CONGRAN. ; Approved Most recent IF: 3.836; 2015 IF: 3.736
Call Number UA @ lucian @ c:irua:132512 Serial 4263
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 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 (down) 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 Copley, J.R.D.; Michel, K.H.
Title Neutron and X-ray scattering cross sections of orientationally disordered solid C60 Type A1 Journal article
Year 1993 Publication Journal Of Physics-Condensed Matter Abbreviated Journal J Phys-Condens Mat
Volume 5 Issue Pages 4353-4370
Keywords A1 Journal article; Electron Microscopy for Materials Science (EMAT);
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos A1993LK74100008 Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0953-8984 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.346 Times cited (down) 34 Open Access
Notes Approved MATERIALS SCIENCE, MULTIDISCIPLINARY 96/271 Q2 #
Call Number UA @ lucian @ c:irua:5778 Serial 2297
Permanent link to this record
 
 
Author Copley, J.R.D.; Michel, K.H.
Title Neutron and X-ray-scattering cross sections of orientationally disordered solid C60 Type A1 Journal article
Year 1993 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat
Volume 5 Issue 26 Pages 4353-4370
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Differential cross sections for neutron and x-ray scattering have been derived for the orientationally disordered phase of solid C60. Interaction centres are placed at nuclei and at the centres of interatomic bonds. Bragg and diffuse scattering cross sections, for single crystals and for powders, are formulated using symmetry-adapted rotator functions. Thermal averages are calculated taking account of crystal field effects. Thermally averaged orientational distribution functions have also been calculated.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos A1993LK74100008 Publication Date 2002-08-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0953-8984;1361-648X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.346 Times cited (down) 34 Open Access
Notes Approved MATERIALS SCIENCE, MULTIDISCIPLINARY 96/271 Q2 #
Call Number UA @ lucian @ c:irua:102972 Serial 2298
Permanent link to this record
 
 
Author Bostoen, C.; Michel, K.H.
Title Dynamics of a quadrupolar glass Type A1 Journal article
Year 1991 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 43 Issue Pages 4415-4422
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos A1991EX92100073 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 (down) 33 Open Access
Notes Approved no
Call Number UA @ lucian @ c:irua:939 Serial 773
Permanent link to this record
 
 
Author Michel, K.H.
Title Free energy and orientational phase transition in solid C60 Type A1 Journal article
Year 1992 Publication Zeitschrift für Physik: B Abbreviated Journal
Volume 88 Issue Pages 71-78
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos A1992JB10700009 Publication Date 2005-04-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0722-3277;1434-6036; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited (down) 33 Open Access
Notes Approved no
Call Number UA @ lucian @ c:irua:2967 Serial 1275
Permanent link to this record
 
 
Author Lamoen, D.; Michel, K.H.
Title Microscopic theory of thermoelastic phenomena and pressure dependence in solid C60 Type A1 Journal article
Year 1993 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 48 Issue 2 Pages 807-813
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract A microscopic theory for the coupling of molecular orientations with acoustic lattice displacements is proposed. The relevant interaction is quadratic in the orientational-order-parameter variables and linear in longitudinal strains. The coupling is evaluated for a complex molecular structure. The intermolecular potential is obtained from interaction centers placed at nuclei and at the centers of interatomic bonds. The free energy is derived and the experimental consequences of the theory are studied. The Clausius-Clapeyron equation for orientational melting is obtained. The theory explains the decrease of the lattice constant at the first-order phase transition and the increase of the transition temperature with applied pressure.
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos A1993LM88500014 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 (down) 32 Open Access
Notes Approved PHYSICS, CONDENSED MATTER 16/67 Q1 #
Call Number UA @ lucian @ c:irua:5779 Serial 2035
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 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 (down) 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 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 (down) 31 Open Access
Notes Approved Most recent IF: 3.836; 2006 IF: 3.107
Call Number UA @ lucian @ c:irua:60090 Serial 2281
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 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 (down) 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
Permanent link to this record
 
 
Author Floros, N.; Hervieu, M.; Van Tendeloo, G.; Michel, C.; Maignan, A.; Raveau, B.
Title The layered manganate Sr4-xBaxMn3O10: synthesis, structural and magnetic properties Type A1 Journal article
Year 2000 Publication Solid state sciences Abbreviated Journal Solid State Sci
Volume 2 Issue 1 Pages 1-9
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000087149500001 Publication Date 2002-07-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1293-2558; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.811 Times cited (down) 29 Open Access
Notes Approved Most recent IF: 1.811; 2000 IF: 0.625
Call Number UA @ lucian @ c:irua:54695 Serial 1805
Permanent link to this record