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	Author	Bussmann-Holder, A.; Dalal, N.; Michel, K.H.
	Title	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
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	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
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	Author	Zhang, X.F.; Van Tendeloo, G.; Amelinckx, S.; Pelloquin, D.; Michel, C.; Hervieu, M.; Raveau, B.
	Title	Structural aspects of Bi_2-xPb_xSr_3.5Cu₂(CO₃)O_8-\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
Permanent link to this record



	Author	Hadermann, J.; Pérez, O.; Créon, N.; Michel, C.; Hervieu, M.
	Title	The (3 + 2)D structure of oxygen deficient LaSrCuO_3.52			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	Huvé, M.; Martin, C.; Van Tendeloo, G.; Maignan, A.; Michel, C.; Hervieu, M.; Raveau, B.
	Title	A mercury-based “1201-0201” intergrowth HgBa₂La₂Cu₂O_8+x: a 53K superconductor			Type	A1 Journal article
	Year	1994	Publication	Solid state communications	Abbreviated Journal	Solid State Commun
	Volume	90	Issue		Pages	37-40
	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	A1994ND06400008	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	7	Open Access
	Notes				Approved	no
	Call Number	UA @ lucian @ c:irua:10032			Serial	1994
Permanent link to this record



	Author	Nikolaev, A.V.; Michel, K.H.
	Title	Microscopic theory of quadrupolar oredring in TmTe			Type	A1 Journal article
	Year	2001	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	63	Issue		Pages	1-10
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lancaster, Pa	Editor
	Language		Wos	000167402100025	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	3.836	Times cited	7	Open Access
	Notes				Approved	Most recent IF: 3.836; 2001 IF: NA
	Call Number	UA @ lucian @ c:irua:36882			Serial	2033
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	Author	Raveau, B.; Michel, C.; Hervieu, M.; Van Tendeloo, G.; Martin, C.; Maignan, A.
	Title	Copper oxycarbonates and mercury-based cuprates: promising high Tc superconductors			Type	A1 Journal article
	Year	1994	Publication	Journal of superconductivity	Abbreviated Journal
	Volume	7	Issue		Pages	9-18
	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	A1994NH48800002	Publication Date	2004-12-02
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0896-1107;1572-9605;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited	6	Open Access
	Notes				Approved	COMPUTER SCIENCE, INTERDISCIPLINARY 11/104 Q1 # PHYSICS, MATHEMATICAL 1/53 Q1 #
	Call Number	UA @ lucian @ c:irua:10042			Serial	516
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	Author	Verberck, B.; Heresanu, V.; Rouziere, S.; Cambedouzou, J.; Launois, P.; Kovats, E.; Pekker, S.; Vliegenthart, G.A.; Michel, K.H.; Gompper, G.
	Title	Fullerene-cubane : X-ray scattering experiments and Monte Carlo simulations			Type	A1 Journal article
	Year	2008	Publication	Fullerenes, nanotubes, and carbon nanostructures T2 – 8th Biennial International Workshop on Fullerenes and Atomic Clusters, (IWFAC 2007), JUL 02-06, 2007, St Petersburg, RUSSIA	Abbreviated Journal	Fuller Nanotub Car N
	Volume	16	Issue	5-6	Pages	293-300
	Keywords	A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
	Abstract	We report single-crystal X-ray diffuse scattering measurements on C-60.C8H8 fullerene-cubane showing that the C-60 molecules are orientationally disordered at 300 and 150K and get ordered at low temperatures. Monte Carlo simulations provide further insight in the orientational behavior of both C-60 and C8H8 molecules; low-temperature molecular orientations are predicted.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000259645200003	Publication Date	2008-09-28
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1536-383X;1536-4046;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.35	Times cited	6	Open Access
	Notes				Approved	Most recent IF: 1.35; 2008 IF: 0.680
	Call Number	UA @ lucian @ c:irua:102640			Serial	1295
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	Author	Martin, C.; Hervieu, M.; Van Tendeloo, G.; Goutenoire, F.; Michel, C.; Maignan, A.; Raveau, B.
	Title	A mercury based cuprate with the “2212” structure: Hg_2-x(Cu,Pr)_xBa₂PrCu₂O_8-\delta			Type	A1 Journal article
	Year	1995	Publication	Solid state communications	Abbreviated Journal	Solid State Commun
	Volume	93	Issue	1	Pages	53-56
	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	A1995PW08800013	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	6	Open Access
	Notes				Approved	no
	Call Number	UA @ lucian @ c:irua:13761			Serial	1995
Permanent link to this record



	Author	Verberck, B.; Michel, K.H.
	Title	Nanotube field of C₆₀ and C₇₀ molecules in carbon nanotubes			Type	A1 Journal article
	Year	2007	Publication	International journal of quantum chemistry	Abbreviated Journal	Int J Quantum Chem
	Volume	107	Issue	13	Pages	2294-2319
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	New York, N.Y.	Editor
	Language		Wos	000249459800002	Publication Date	2007-02-20
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0020-7608;1097-461X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.92	Times cited	6	Open Access
	Notes				Approved	Most recent IF: 2.92; 2007 IF: 1.368
	Call Number	UA @ lucian @ c:irua:65785			Serial	2282
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	Author	Huve, M.; Martin, C.; Maignan, A.; Michel, C.; Van Tendeloo, G.; Hervieu, M.; Raveau, B.
	Title	A new cuprate with mercury bilayers : the “2222” oxide Hg_2-xM_xBa₂Pr₂Cu₂O_10-\delta (M= Cu,Pr)			Type	A1 Journal article
	Year	1995	Publication	Journal of solid state chemistry	Abbreviated Journal	J Solid State Chem
	Volume	114	Issue	1	Pages	230-235
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	A ''2222'' cuprate with mercury bilayers (Hg1.5Cu0.2Pr0.3)Ba2Pr2Cu2O10-delta, has been synthesized for the first time. It crystallizes in the P4/nmm space group with a = 3.9072(1) Angstrom and c = 17.219(1) Angstrom. The powder XRD and HREM studies of this new cuprate show that its structure consists of an intergrowth of double pyramidal (oxygen-deficient perovskite) copper layers, with double fluorite-type layers and distorted triple rock salt layers (mercury bilayers). The structure of this phase can be deduced from that of the ''2212'' mercury cuprate (Hg1.5Cu0.2Pr0.3)Ba2PrCu2O8-delta by the introduction of one additional [PrO2]infinity fluorite layer. The regular stacking of the metallic layer and the uniform cationic distribution in the mercury bilayers are remarkable features of this cuprate. The stabilization of the mercury bilayers by praseodymium and the absence of superconductivity are discussed. (C) 1995 Academic Press, Inc.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	A1995QA17000033	Publication Date	2002-10-07
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0022-4596;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.133	Times cited	6	Open Access
	Notes				Approved	PHYSICS, APPLIED 28/145 Q1 #
	Call Number	UA @ lucian @ c:irua:104448			Serial	2310
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	Author	Michel, K.H.; Scuracchio, P.; Peeters, F.M.
	Title	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
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	Author	Nikolaev, A.V.; Michel, K.H.
	Title	Microscopic theory of the rhombohedral phase and transition to the monoclinic phase of solid C₇₀			Type	A1 Journal article
	Year	1996	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	54	Issue	18	Pages	12733-12743
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Starting from a model of microscopic interactions between C-70 molecules, we have developed a theory which describes the orientational dynamics and its coupling to lattice displacements in the rhombohedral phase of C-70 fullerite. The Landau free energy is calculated. We obtain a first-order phase transition to a monoclinic structure with the space group P2(1)/m. The transition is driven by the condensation of orientational quadrupoles at the F point of the Brillouin zone of the rhombohedral lattice. We find no evidence that the monoclinic structure is connected with the freezing in of orientations around the fivefold molecular axis. We calculate the lattice strains that are associated with the transition to the monoclinic structure. The theory is compared with a range of experimental data on the phase transition.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lancaster, Pa	Editor
	Language		Wos	A1996VT68200028	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	5	Open Access
	Notes				Approved	no
	Call Number	UA @ lucian @ c:irua:16357			Serial	2034
Permanent link to this record



	Author	Hervieu, M.; Pelloquin, D.; Michel, C.; Van Tendeloo, G.; Raveau, B.
	Title	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	Hervieu, M.; Van Tendeloo, G.; Michel, C.; Martin, C.; Maignan, A.; Raveau, B.
	Title	Synthesis and characterization of mercury based “1222” cuprates (Hg_1-xM_x)(Sr,Ba)₂Pr₂Cu₂O_9-\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
Permanent link to this record



	Author	Michel, K.H.; Neek-Amal, M.; Peeters, F.M.
	Title	Static flexural modes and piezoelectricity in 2D and layered crystals			Type	A1 Journal article
	Year	2016	Publication	Physica status solidi: B: basic research	Abbreviated Journal	Phys Status Solidi B
	Volume	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	Zieliński, P.; Michel, K.H.
	Title	Microscopic model of surfaces in orientationally disordered ionic crystals : the (001) surface of KCN			Type	A1 Journal article
	Year	1992	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	46	Issue	8	Pages	4806-4815
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	The crystallographic structure and the distribution of orientations of molecular ions are studied near the surface in an orientationally disordered crystal with the use of a Green-function formalism. The orientational degrees of freedom are treated by means of symmetry-adapted functions of angular coordinates. The structure of the (001) surface of KCN in its cubic fcc phase is then predicted using the existing data on the interaction of the ions K+ and CN-. A local antiferroelectric and antiferroelastic order i shown to exist in the surface region. The magnitude of the order and the spatial extent of the ordered re ion increase as the temperature approaches the point of the phase transition to the ordered phase. The,influence of the external electric field on the structure of the surface is predicted.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lancaster, Pa	Editor
	Language		Wos	A1992JK72500049	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	4	Open Access
	Notes				Approved	PHYSICS, CONDENSED MATTER 16/67 Q1 #
	Call Number	UA @ lucian @ c:irua:2974			Serial	2029
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	Author	Van Tendeloo, G.; Krekels, T.; Amelinckx, S.; Babu, T.G.N.; Greaves, C.; Hervieu, M.; Michel, C.; Raveau, B.
	Title	Structural investigations of recently discovered high T_c 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
Permanent link to this record



	Author	Nikolaev, A.V.; Michel, K.H.
	Title	Elusive s-f intrasite interactions and double exchange in solids: ferromagnetic versus nonmagnetic ground state			Type	A1 Journal article
	Year	2009	Publication	Journal of experimental and theoretical physics	Abbreviated Journal	J Exp Theor Phys+
	Volume	109	Issue	2	Pages	286-292
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	From the theory of many-electron states in atoms, we know that there exists a strong Coulomb repulsion, which results in the electronic term structure of atoms and is responsible for Hunds rules. By expanding the Coulomb on-site repulsion into a multipolar series, we derive this interaction and show that it is also present in solids as a correlation effect, which means that the interaction requires a multideterminant version of the Hartree-Fock method. Of particular interest is the case where this interaction couples states of localized ( f) and delocalized ( s) electrons. We show that the interaction is bilinear in the creation/annihilation operators for localized electrons and bilinear in the operators for conduction electrons. To study the coupling, we consider a simple model in the framework of an effective limited configuration interaction method with one localized f-electron and one itinerant s-electron per crystal site. The on-site multipole interaction between the f- and s-electrons is explicitly taken into account. It is shown that depending on the low-lying excitation spectrum imposed by the crystal electric field, the model can lead not only to ferromagnetism but also to a nonmagnetic state. The model is relevant for solids with localized and itinerant electron states.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Woodbury, N.Y.	Editor
	Language		Wos	000270506500014	Publication Date	2009-09-18
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1063-7761;1090-6509;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.196	Times cited	3	Open Access
	Notes				Approved	Most recent IF: 1.196; 2009 IF: 0.871
	Call Number	UA @ lucian @ c:irua:79163			Serial	1027
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	Author	Lamoen, D.; Michel, K.H.
	Title	Coupling of orientational and translational modes in solid C60 and C70			Type	A1 Journal article
	Year	1999	Publication	Phase transitions	Abbreviated Journal	Phase Transit
	Volume	67	Issue		Pages	789
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	New York	Editor
	Language		Wos	000079806300017	Publication Date	2007-07-08
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0141-1594;1029-0338;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.06	Times cited	2	Open Access
	Notes				Approved	Most recent IF: 1.06; 1999 IF: 0.622
	Call Number	UA @ lucian @ c:irua:27830			Serial	537
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	Author	Hervieu; Van Tendeloo, G.; Michel; Pelloquin; Raveau
	Title	Mixed layers in copper based superconducting materials			Type	A1 Journal article
	Year	1996	Publication	Microscopy, microanalysis, microstructures	Abbreviated Journal
	Volume	7	Issue	2	Pages	107-141
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Recently discovered series of high Tc superconductors, characterized by the existence of two types of cations within the same layer, are presented. The first family concerns the mercury based cuprates, Hg(1-x)M(x)A(2)Ca(m-1)Cu(m)O(2m+2+delta), with A = Ba and/or Sr, which exhibit structures closely related to that of the thallium cuprates TlBa2Cam-1CumO2m+3. They differ from the thallium cuprates by a high oxygen deficiency at the level of the mercury layer. It is shown that cations such as M = Cu, Pb, Tl, Bi, Ce, Pr, Cr, V, Mo, W, Ti, Sr, Ca,... can partially substitute for mercury ions, stabilizing the structures. The cationic composition of the layer depends indeed on the nature of the M cation but also on that of the alkaline earth A. For given A and M cations, the a: value remains unchanged even when the number of copper layers varies. M and Hg cations are either statistically distributed over the same site or ordered. Different types of ordering have been detected. Another way of generating mixed layers is to shear periodically the structure, leading to the formation of the so called ''collapsed phase''. In the collapsed bismuth cuprates, bismuth and copper segments, a few octahedra long, alternate in strongly waving layers. In the collapsed oxycarbonates, carbonate groups and M cations are ordered within the intermediate layer so that they can be simply described from a partial and ordered substitution of carbon for Hg,TI, Bi and other M cations building the intermediate layer. The oxycarbonitrates (Y1-xCax)(n)Ba2nCu3n-1(C,N)O3O7n-3 can also be described as an ordered substitution of carbon for copper in the 123 matrix. The different families of superconducting materials which are generated by such mechanisms are described as well as the way the different species are distributed within the mixed layers. Their influence on the physical properties are discussed.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Ivry	Editor
	Language		Wos	A1996VA22000004	Publication Date	2003-08-13
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1154-2799;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited	2	Open Access
	Notes				Approved	no
	Call Number	UA @ lucian @ c:irua:95287			Serial	2088
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	Author	Raveau, B.; Michel, C.; Hervieu, M.; Van Tendeloo, G.; Maignan, A.
	Title	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
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	Author	Theuns, T.; Michel, K.H.
	Title	Free energy and structural phase transitions in mixed crystals: a microscopic derivation			Type	A1 Journal article
	Year	1992	Publication	Zeitschrift für Physik: B	Abbreviated Journal
	Volume	86	Issue		Pages	125-131
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	A1992GV45100019	Publication Date	2005-03-26
	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	1	Open Access
	Notes				Approved	no
	Call Number	UA @ lucian @ c:irua:44748			Serial	1276
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	Author	Nikolaev, A.V.; Michel, K.H.
	Title	Many electron- and hole terms of molecular ions C₆₀^n\pm			Type	A1 Journal article
	Year	2003	Publication	Coupling In Chemistry And Physics	Abbreviated Journal	Adv Quantum Chem
	Volume	44	Issue		Pages	305-312
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	New York, N.Y.	Editor
	Language		Wos	000188940800019	Publication Date	2004-05-19
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0065-3276;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.196	Times cited	1	Open Access
	Notes				Approved	Most recent IF: 1.196; 2003 IF: 0.375
	Call Number	UA @ lucian @ c:irua:104131			Serial	1942
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	Author	Verberck, B.; Nikolaev, A.V.; Michel, K.H.
	Title	Orientational charge density waves and the metal-insulator transition in polymerized KC₆₀			Type	A1 Journal article
	Year	2005	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	71	Issue	16	Pages	165117-11
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	A theoretical model is presented for the description of the metal-insulator transition which accompanies the structural phase transition at T approximate to 50 K in polymerized KC60. The model involves orientational charge density waves (along the C-60 polymer chains) which were introduced previously for a description of the structural phase transition. A satisfactory qualitative and quantitative understanding is obtained when the three-dimensionality of the crystal and the presence of the K+ counterions is properly taken into account.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000228763100035	Publication Date	2005-04-27
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1098-0121;1550-235X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.836	Times cited	1	Open Access
	Notes				Approved	Most recent IF: 3.836; 2005 IF: 3.185
	Call Number	UA @ lucian @ c:irua:104076			Serial	2514
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	Author	Michel, K.H.; Verberck, B.
	Title	Rigid-plane phonons in layered crystals			Type	A1 Journal article
	Year	2012	Publication	Physica status solidi: B: basic research	Abbreviated Journal	Phys Status Solidi B
	Volume	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	Nikolaev, A.V.; Michel, K.H.
	Title	Ab initio approach to superexchange interactions in alkali doped fullerides AC₆₀			Type	P1 Proceeding
	Year	2004	Publication	AIP conference proceedings T2 – 18th International Winterschool/Euroconference on Electronic Properties, of Novel Materials, MAR 06-JUN 13, 2004, Kirchberg, AUSTRIA	Abbreviated Journal
	Volume		Issue		Pages	393-396
	Keywords	P1 Proceeding; Condensed Matter Theory (CMT)
	Abstract	The superexchange interactions between the fullerenes arise as a result of the electron transfer from the C-60 molecule to the alkali atom and back. We present a scheme, which is a configuration interaction approach based on the valence bond (Heitler-London) method. The effect of superexchange is described together with chemical bonding by constructing and solving a secular equation, rather than by using a perturbation treatment. We have considered 180degrees and 90degrees superexchange for the C-60 Cs-C-60 pathways. The calculations account for unusual electronic properties of polymer orthorhombic and quenched cubic phases of CsC60: two lines in nuclear magnetic resonance experiments, the development of a spin-singlet ground state and a decrease of magnetic susceptibility as T-->0.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	New York	Editor
	Language		Wos	000224699400085	Publication Date	2004-11-11
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume	723	Series Issue		Edition
	ISSN	0-7354-0204-3	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited		Open Access
	Notes				Approved	Most recent IF: NA
	Call Number	UA @ lucian @ c:irua:103752			Serial	27
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	Author	Verberck, B.; Michel, K.H.
	Title	Anisotropic packing of C-70 molecules in carbon nanotubes			Type	A1 Journal article
	Year	2007	Publication	Physica status solidi B-basic solid state physics	Abbreviated Journal	Phys Status Solidi B
	Volume	244	Issue	11	Pages	4279-4282
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000251355800092	Publication Date	2007-10-19
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0370-1972;1521-3951;	ISBN		Additional Links	UA library record; WoS full record
	Impact Factor	1.674	Times cited		Open Access
	Notes				Approved	Most recent IF: 1.674; 2007 IF: 1.071
	Call Number	UA @ lucian @ c:irua:67350			Serial	128
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	Author	Hervieu, M.; Michel, C.; Martin, C.; Huvé, M.; Van Tendeloo, G.; Maignan, A.; Pelloquin, D.; Goutenoire, F.; Raveau, B.
	Title	Mécanismes de la non-stoechiométrie dans les nouveaux supraconducteurs à haute Tc			Type	A1 Journal article
	Year	1994	Publication	Journal de physique: 3: applied physics, materials science, fluids, plasma and instrumentation	Abbreviated Journal
	Volume	4	Issue		Pages	2057-2067
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Les Ulis	Editor
	Language		Wos	A1994PT17900002	Publication Date	0000-00-00
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1155-4320	ISBN		Additional Links	UA library record; WoS full record;
	Impact Factor		Times cited		Open Access
	Notes				Approved	no
	Call Number	UA @ lucian @ c:irua:10041			Serial	1973
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	Author	Michel, K.H.; Verberck, B.; Nikolaev, A.
	Title	Mercator maps of orientations of a C₆₀ molecule in single-walled nanotubes with distinct radii			Type	A1 Journal article
	Year	2005	Publication	AIP conference proceedings	Abbreviated Journal
	Volume	786	Issue		Pages	69-72
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We study the confinement of a C-60 molecule encapsulated in a cylindrical nanotube as a function of the tube radius. Drawing the Mercator maps of the potential, we find two distinct molecular orientations; for tubes with small radii, R-T less than or similar to 7 angstrom, a fivefold axis of the molecule coincides with the tube long axis, for larger radii, R-T less than or similar to 8 angstrom, a threefold axis of the molecule coincides with the tube long axis. These different orientations are caused by the relative importance of the repulsive and the attractive parts of the van der Waals potentials of the molecule with the tube wall for small and large tubes respectively. Experimental evidence is provided by the apparent splitting of A(g) modes of the C-60 molecule in resonant Raman scattering.
	Address
	Corporate Author				Thesis
	Publisher	Amer inst physics	Place of Publication	Melville	Editor
	Language		Wos		Publication Date	0000-00-00
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0094-243x	ISBN		Additional Links	UA library record; WoS full record;
	Impact Factor		Times cited		Open Access
	Notes				Approved	Most recent IF: NA
	Call Number	UA @ lucian @ c:irua:94738			Serial	1993
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