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Author Nikolaev, A.V.; Michel, K.H.; Copley, J.R.D.
Title (up) Orientational disorder and order in C60-fullerite and in MC60-alkali metal fullerides Type H3 Book chapter
Year 1999 Publication Abbreviated Journal
Volume Issue Pages 183-214
Keywords H3 Book chapter; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Plenum Press 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 ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:28505 Serial 2515
Permanent link to this record
 
 
Author Michel, K.H.; Copley, J.R.D.
Title (up) Orientational mode coupling, diffuse scattering, and the order-disorder phase transition in solid C60 Type A3 Journal article
Year 1997 Publication Zeitschrift für Physik: B: condensed matter and quanta Abbreviated Journal
Volume 103 Issue Pages 369-376
Keywords A3 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Berlin Editor
Language Wos A1997XL52100005 Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0340-224x ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 21 Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:21181 Serial 2517
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Author Michel, K.H.; Lamoen, D.; David, W.I.F.
Title (up) Orientational order and disorder in solid C60 : theory and diffraction experiments Type A1 Journal article
Year 1995 Publication Acta crystallographica: section A: foundations of crystallography Abbreviated Journal Acta Crystallogr A
Volume 51 Issue 3 Pages 365-374
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Starting from a microscope model of the intermolecular potential, a unified description is presented of the Bragg scattering law in the orientationally disordered and in the ordered phase of solid C-60. The orientational structure factor is expanded in terms of symmetry-adapted surface harmonics. The expansion coefficients are calculated from theory and compared with experiment Their temperature evolution is studied in the disordered phase at the 260 K transitions and in the ordered phase. In the ordered phase, new results from high-resolution neutron powder diffraction are given. In the disordered phase, space group Fm $($) over bar$$ 3m, the reflections have A(1g) symmetry; in the ordered phase, space group Pa $$($) over bar 3, reflections of T-2g symmetry appear and in addition the A(1g) reflections are renormalized. The orientational density distribution is calculated. The effective crystal-field potential is constructed, its temperature evolution in the ordered phase is studied and related to the occurrence of an orientational glass.
Address
Corporate Author Thesis
Publisher Place of Publication Copenhagen Editor
Language Wos A1995RB59400018 Publication Date 2002-07-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0108-7673; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.307 Times cited 14 Open Access
Notes Approved CHEMISTRY, MULTIDISCIPLINARY 65/163 Q2 # CRYSTALLOGRAPHY 10/26 Q2 #
Call Number UA @ lucian @ c:irua:12189 Serial 2518
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Author Nikolaev, A.V.; Prassides, K.; Michel, K.H.
Title (up) Phase transitions in AC60 (A=Rb, Cs) fullerides Type A3 Journal article
Year 1997 Publication Recent advances in the chemistry and physics of fullerenes and related materials Abbreviated Journal
Volume 5 Issue Pages 450-460
Keywords A3 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:21182 Serial 2596
Permanent link to this record
 
 
Author Michel, K.H.; Verberck, B.
Title (up) 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 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
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Author Scuracchio, P.; Michel, K.H.; Peeters, F.M.
Title (up) Phonon hydrodynamics, thermal conductivity, and second sound in two-dimensional crystals Type A1 Journal article
Year 2019 Publication Physical review B Abbreviated Journal Phys Rev B
Volume 99 Issue 14 Pages 144303
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Starting from our previous work in which we obtained a system of coupled integrodifferential equations for acoustic sound waves and phonon density fluctuations in two-dimensional (2D) crystals, we derive here the corresponding hydrodynamic equations, and we study their consequences as a function of temperature and frequency. These phenomena encompass propagation and damping of acoustic sound waves, diffusive heat conduction, second sound, and Poiseuille heat flow, all of which are characterized by specific transport coefficients. We calculate these coefficients by means of correlation functions without using the concept of relaxation time. Numerical calculations are performed as well in order to show the temperature dependence of the transport coefficients and of the thermal conductivity. As a consequence of thermal tension, mechanical and thermal phenomena are coupled. We calculate the dynamic susceptibilities for displacement and temperature fluctuations and study their resonances. Due to the thermomechanical coupling, the thermal resonances such as the Landau-Placzek peak and the second-sound doublet appear in the displacement susceptibility, and conversely the acoustic sound wave doublet appears in the temperature susceptibility, Our analytical results not only apply to graphene, but they are also valid for arbitrary 2D crystals with hexagonal symmetry, such as 2D hexagonal boron nitride, 2H-transition-metal dichalcogenides, and oxides.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000464717300006 Publication Date 2019-04-10
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 16 Open Access
Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl). ; Approved Most recent IF: 3.836
Call Number UA @ admin @ c:irua:159346 Serial 5225
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Author Michel, K.H.; Çakir, D.; Sevik, C.; Peeters, F.M.
Title (up) Piezoelectricity in two-dimensional materials : comparative study between lattice dynamics and ab initio calculations Type A1 Journal article
Year 2017 Publication Physical review B Abbreviated Journal Phys Rev B
Volume 95 Issue 95 Pages 125415
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The elastic constant C-11 and piezoelectric stress constant e(1),(11) of two-dimensional (2D) dielectric materials comprising h-BN, 2H-MoS2, and other transition-metal dichalcogenides and dioxides are calculated using lattice dynamical theory. The results are compared with corresponding quantities obtained with ab initio calculations. We identify the difference between clamped-ion and relaxed-ion contributions with the dependence on inner strains which are due to the relative displacements of the ions in the unit cell. Lattice dynamics allows us to express the inner-strain contributions in terms of microscopic quantities such as effective ionic charges and optoacoustical couplings, which allows us to clarify differences in the piezoelectric behavior between h-BN and MoS2. Trends in the different microscopic quantities as functions of atomic composition are discussed.
Address
Corporate Author Thesis
Publisher American Physical Society Place of Publication New York, N.Y Editor
Language Wos 000396013400005 Publication Date 2017-03-11
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 29 Open Access
Notes ; The authors acknowledge useful discussions with L. Wirtz and A. Molina-Sanchez. This work was supported by the Methusalem program and the Fonds voor Wetenschappelijk Onderzoek-Vlaanderen. Computational resources were provided by HPC infrastructure of the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules foundation. ; Approved Most recent IF: 3.836
Call Number UA @ lucian @ c:irua:142444 Serial 4603
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Author Bussmann-Holder, A.; Dalal, N.; Michel, K.H.
Title (up) Polarizability induced cooperative proton ordering, coexistence of order/disorder and displacive dynamics and isotope effects in hydrogen-bonded systems Type A1 Journal article
Year 2000 Publication The journal of physics and chemistry of solids T2 – Williamsburg Workshop on Ferroelectrics 99, JAN 31-FEB 03, 1999, WILLIAMSBURG, VIRGINIA Abbreviated Journal J Phys Chem Solids
Volume 61 Issue 2 Pages 271-274
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Despite the general belief that hydrogen-bonded ferro- and antiferroelectrics undergo a pure order/disorder transition at the structural instability, new NMR data and a new theoretical concept yield convincing evidence that a pronounced displacive component is present in these systems, which modifies substantially the temperature dependencies of the tunnel and lattice mode frequencies. The experiments and their interpretation are presented. (C) 1999 Elsevier Science Ltd. All rights reserved.
Address
Corporate Author Thesis
Publisher Pergamon-elsevier science ltd Place of Publication Oxford Editor
Language Wos 000084147000020 Publication Date 2002-07-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-3697; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.059 Times cited 8 Open Access
Notes Approved Most recent IF: 2.059; 2000 IF: 1.003
Call Number UA @ lucian @ c:irua:103469 Serial 2660
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Author Bussmann-Holder, A.; Michel, K.H.
Title (up) Proton tunneling and nonlinear polarizability effects in hydrogen-bonded ferroelectrics Type P1 Proceeding
Year 1998 Publication AIP conference proceedings T2 – 5th Williamsburg Workshop on 1st-Principles Calculations for, Ferroelectrics, FEB 01-04, 1998, WILLIAMSBURG, VA Abbreviated Journal
Volume Issue Pages 202-206
Keywords P1 Proceeding; Condensed Matter Theory (CMT)
Abstract Hydrogen-bonded ferroelectrics are modelled by a coupled spin/nonlinear lattice (polarizability) interaction Hamiltonian, where specifically the geometry of the hydrogen bond is included. The model leads to a structural phase transition and describes correctly the isotope effect due to the substitution H/D in hydrogen-bonded systems in terms of bond length changes.
Address
Corporate Author Thesis
Publisher Place of Publication New York Editor
Language Wos 000075034000022 Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue 436 Edition
ISSN 1-56396-730-8 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:104344 Serial 2733
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Author Nikolaev, A.V.; Michel, K.H.
Title (up) Quantum charge density fluctuations and the γ-α phase transition in Ce Type A1 Journal article
Year 1999 Publication European physical journal : B : condensed matter and complex systems Abbreviated Journal Eur Phys J B
Volume 9 Issue Pages 619-634
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Berlin Editor
Language Wos 000081615500009 Publication Date 2002-08-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1434-6028; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.461 Times cited 19 Open Access
Notes Approved Most recent IF: 1.461; 1999 IF: 1.705
Call Number UA @ lucian @ c:irua:28504 Serial 2774
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Author Michel, K.H.; Verberck, B.
Title (up) 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 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 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 (up) 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 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 Michel, K.H.
Title (up) Sequence of orientational phase transitions in solid C60 Type A1 Journal article
Year 1992 Publication Chemical physics letters Abbreviated Journal Chem Phys Lett
Volume 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 Michel, K.H.; Scuracchio, P.; Peeters, F.M.
Title (up) Sound waves and flexural mode dynamics in two-dimensional crystals Type A1 Journal article
Year 2017 Publication Physical review B Abbreviated Journal Phys Rev B
Volume 96 Issue 9 Pages 094302
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Starting from a Hamiltonian with anharmonic coupling between in-plane acoustic displacements and outof-plane (flexural) modes, we derived coupled equations of motion for in-plane displacements correlations and flexural mode density fluctuations. Linear response theory and time-dependent thermal Green's functions techniques are applied in order to obtain different response functions. As external perturbations we allow for stresses and thermal heat sources. The displacement correlations are described by a Dyson equation where the flexural density distribution enters as an additional perturbation. The flexural density distribution satisfies a kinetic equation where the in-plane lattice displacements act as a perturbation. In the hydrodynamic limit this system of coupled equations is at the basis of a unified description of elastic and thermal phenomena, such as isothermal versus adiabatic sound motion and thermal conductivity versus second sound. The general theory is formulated in view of application to graphene, two-dimensional h-BN, and 2H-transition metal dichalcogenides and oxides.
Address
Corporate Author Thesis
Publisher American Physical Society Place of Publication New York, N.Y Editor
Language Wos 000409246200003 Publication Date 2017-09-05
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 6 Open Access
Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem program. ; Approved Most recent IF: 3.836
Call Number UA @ lucian @ c:irua:145630 Serial 4751
Permanent link to this record
 
 
Author Michel, A.; Pierron-Bohnes, V.; Jay, J.P.; Panissod, P.; Lefebvre, S.; Bessière, M.; Fischer, H.E.; Van Tendeloo, G.
Title (up) Stabilisation of fcc cobalt layers by 0.4 nm thick manganese layers in Co/Mn superlattices Type A1 Journal article
Year 2001 Publication European physical journal : B : condensed matter and complex systems Abbreviated Journal Eur Phys J B
Volume 19 Issue 2 Pages 225-239
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Berlin Editor
Language Wos 000167425800008 Publication Date 2003-05-15
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1434-6028; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.461 Times cited 8 Open Access
Notes Approved Most recent IF: 1.461; 2001 IF: 1.811
Call Number UA @ lucian @ c:irua:54779 Serial 3116
Permanent link to this record
 
 
Author Raveau, B.; Michel, C.; Hervieu, M.; Van Tendeloo, G.; Maignan, A.
Title (up) Stabilization of mercury-based superconductors by foreign cations Type A1 Journal article
Year 1994 Publication Annales de chimie (1914) T2 – 4th North-African Materials Science Symposium (JMSM 94), NOV 23-24, 1994, CASABLANCA, MOROCCO Abbreviated Journal 4th North-African Materials Science Symposium (JMSM 94), NOV 23-24, 1994, CASABLANCA, MOROCCO
Volume 19 Issue 7-8 Pages 487-492
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The recently discovered superconducting mercury-based cuprates HgBa2Can-1CunO2n+2+delta have proved difficult to synthesize as single phases and are sensitive to environment (CO2, moisture). The present paper gives an overview of new series mercury based superconductors, whose stabilisation is based on the fact that a foreign cation with a higher valency than Hg(II) must be introduced in the mercury layers, in order to fill up partially the oxygen vacancies of these layers. By this method, several new series of superconductors involving strontium instead of barium with critical temperatures ranging from 27 K to 95 K have been isolated : Hg0.5Bi0.5Sr2-xLaxCuO4+delta, Hg(0.5)Bi(0.5)Sr(2)Ca(1-x)R(x)Cu(2)O(6+delta) (R Y, Nd, Pr), Pb0.7Hg0.3Sr2-xLaxCuO4+delta, Pb(0.7)Hg(0.3)Sr(2)Ca(1-x)R(x)Cu(2)O(6+delta) (R = Y, Nd) Hg(1-x)Pr(x)Sr(2)A(1-x')Pr(x') Cu2O6+delta (A = Sr, Ca), Pb0.7Hg0.3Sr2Cu2CO3O7 and Hg1-xCrxSr2CuO4+delta. The behaviour of the praseodymium cuprates that exhibit a rather sharp transition and reach a Tc of 85 K is especially discussed. A method to synthesize new ''Ba-Hg'' superconducting cuprates with the 1212 structure at normal pressure with a Tc up to 110 K is also presented.
Address
Corporate Author Thesis
Publisher Place of Publication Paris Editor
Language Wos A1994RC75300027 Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0151-9107 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 2 Open Access
Notes Approved PHYSICS, APPLIED 28/145 Q1 #
Call Number UA @ lucian @ c:irua:104472 Serial 3137
Permanent link to this record
 
 
Author Michel, K.H.; Neek-Amal, M.; Peeters, F.M.
Title (up) 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 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 Zhang, X.F.; Van Tendeloo, G.; Amelinckx, S.; Pelloquin, D.; Michel, C.; Hervieu, M.; Raveau, B.
Title (up) 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 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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Author Hervieu, M.; Pelloquin, D.; Michel, C.; Van Tendeloo, G.; Raveau, B.
Title (up) Structural characteristics of the 40K superconductor Bi2Sr5Cu3(CO3)2O10: a HREM study Type A1 Journal article
Year 1994 Publication Journal of solid state chemistry Abbreviated Journal J Solid State Chem
Volume 112 Issue Pages 139-147
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos A1994PG30500024 Publication Date 0000-00-00
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
Call Number UA @ lucian @ c:irua:10034 Serial 3216
Permanent link to this record
 
 
Author Van Tendeloo, G.; Krekels, T.; Amelinckx, S.; Babu, T.G.N.; Greaves, C.; Hervieu, M.; Michel, C.; Raveau, B.
Title (up) Structural investigations of recently discovered high Tc superconductors Type A1 Journal article
Year 1995 Publication Microscopy research and technique Abbreviated Journal Microsc Res Techniq
Volume 30 Issue Pages 102-122
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos A1995QH52800002 Publication Date 2005-02-23
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1059-910X;1097-0029; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.154 Times cited 4 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:13307 Serial 3241
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Author Goutenoire, F.; Maignan, A.; Van Tendeloo, G.; Martin, C.; Michel, C.; Hervieu, M.; Raveau, B.
Title (up) Substitution of mercury for thallium in the 2223 cuprate: the 130K superconductor Tl1.6Hg0.4Ba2Cu3O10-x Type A1 Journal article
Year 1994 Publication Solid state communications Abbreviated Journal Solid State Commun
Volume 90 Issue Pages 47-50
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos A1994ND06400010 Publication Date 0000-00-00
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 1.897 Times cited 16 Open Access
Notes Approved PHYSICS, APPLIED 28/145 Q1 #
Call Number UA @ lucian @ c:irua:10031 Serial 3345
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Author Maignan, A.; Michel, C.; Van Tendeloo, G.; Hervieu, M.; Raveau, B.
Title (up) 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 32 Open Access
Notes Approved PHYSICS, APPLIED 28/145 Q1 #
Call Number UA @ lucian @ c:irua:6848 Serial 3375
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Author Nikolaev, A.V.; Michel, K.H.
Title (up) 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 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 Michel, K.H.; Verberck, B.; Hulman, M.; Kuzmany, H.; Krause, M.
Title (up) 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 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 (up) Symmetry lowering at the structural phase transitions in NpO2 and UO2 Type A1 Journal article
Year 2003 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 68 Issue 5 Pages 054112-054112,7
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The structural phase transitions with electric-quadrupole long-range order in NpO2 (Fm (3) over barm-->Pn (3) over barm) and UO2 (Fm (3) over barm-->Pa (3) over bar) are analyzed from a group theoretical point of view. In both cases, the symmetry lowering involves three quadrupolar components belonging to the irreducible representation T-2g (Gamma(5)) of O-h and condensing in a triple-q structure at the X point of the Brillouin zone. The Pa (3) over bar structure is close to Pn (3) over barm, but allows for oxygen displacements. The Pa (3) over bar ordering leads to an effective electrostatic attraction between electronic quadrupoles while the Pn (3) over barm ordering results in a repulsion between them. It is concluded that the Pn (3) over barm structure can be stabilized only through some additional process such as strengthening of the chemical bonding between Np and O. We also derive the relevant structure-factor amplitudes for Pn (3) over barm and Pa (3) over bar, and the effect of domains on resonant x-ray scattering experiments.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000185240100038 Publication Date 2003-08-29
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0163-1829;1095-3795; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 15 Open Access
Notes Approved Most recent IF: 3.836; 2003 IF: NA
Call Number UA @ lucian @ c:irua:94847 Serial 3405
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Author Hervieu, M.; Van Tendeloo, G.; Michel, C.; Martin, C.; Maignan, A.; Raveau, B.
Title (up) 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 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 Hadermann, J.; Pérez, O.; Créon, N.; Michel, C.; Hervieu, M.
Title (up) The (3 + 2)D structure of oxygen deficient LaSrCuO3.52 Type A1 Journal article
Year 2007 Publication Journal of materials chemistry Abbreviated Journal J Mater Chem
Volume 17 Issue 22 Pages 2344-2350
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Cambridge Editor
Language Wos 000247349400020 Publication Date 2007-04-18
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0959-9428;1364-5501; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 7 Open Access
Notes Supergmr:Hprn-Ct-2000-0021 Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:64749 c:irua:64749 Serial 13
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Author Verberck, B.; Michel, K.H.; Nikolaev, A.V.
Title (up) The C60 molecules in (C60)N@SWCNT peapods: crystal field, intermolecular interactions and dynamics Type A1 Journal article
Year 2006 Publication Fullerenes, nanotubes, and carbon nanostructures Abbreviated Journal Fuller Nanotub Car N
Volume 14 Issue 2/3 Pages 171-178
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000238762900006 Publication Date 2006-06-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1536-383X;1536-4046; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.35 Times cited 10 Open Access
Notes Approved Most recent IF: 1.35; 2006 IF: 0.462
Call Number UA @ lucian @ c:irua:60025 Serial 3518
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Author 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 (up) 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 39 Open Access
Notes ; ; Approved Most recent IF: 3.379
Call Number UA @ admin @ c:irua:142493 Serial 5874
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Author Bussmann-Holder, A.; Michel, K.H.
Title (up) The isotope effect in hydrogen-bonded systems Type A1 Journal article
Year 1998 Publication International journal of modern physics: B: condensed matter physics, statistical physics, applied physics T2 – 1st International Conference on New Theories, Discoveries, and, Applications of Superconductors and Related Materials (New3SC-1), FEB 19-24, 19 Abbreviated Journal Int J Mod Phys B
Volume 12 Issue 29-31 Pages 3406-3408
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The giant isotope effect on the ferro- and antiferroelectric transition temperature upon deuteration of hydrogen-bonded systems is well known experimentally since various decades. Yet, theoretically only recently a microscopic understanding of this effect has been achieved which, specifically, took into account the geometry of the O ... H ... O bond. The implications of this modeling are multiple as numerous hydrogen-bonded organic systems show the same effects as ferro- and antiferroelectrics, i.e., cooperative proton tunneling at a well-defined temperature.
Address
Corporate Author Thesis
Publisher Place of Publication Singapore Editor
Language Wos 000079114500104 Publication Date 2003-10-01
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0217-9792;1793-6578; ISBN Additional Links UA library record; WoS full record
Impact Factor 0.736 Times cited Open Access
Notes Approved Most recent IF: 0.736; 1998 IF: 0.987
Call Number UA @ lucian @ c:irua:102920 Serial 3589
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