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Author Sobrino Fernandez, M.M.; Neek-Amal, M.; Peeters, F.M.
Title (down) AA-stacked bilayer square ice between graphene layers Type A1 Journal article
Year 2015 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 92 Issue 92 Pages 245428
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Water confined between two graphene layers with a separation of a few A forms a layered two-dimensional ice structure. Using large scale molecular dynamics simulations with the adoptable ReaxFF interatomic potential we found that flat monolayer ice with a rhombic-square structure nucleates between the graphene layers which is nonpolar and nonferroelectric. We provide different energetic considerations and H-bonding results that explain the interlayer and intralayer properties of two-dimensional ice. The controversial AA stacking found experimentally [Algara-Siller et al., Nature (London) 519, 443 (2015)] is consistent with our minimum-energy crystal structure of bilayer ice. Furthermore, we predict that an odd number of layers of ice has the same lattice structure as monolayer ice, while an even number of ice layers exhibits the square ice AA stacking of bilayer ice.
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000366731800004 Publication Date 2015-12-17
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 40 Open Access
Notes ; This work was supported by the ESF-Eurographene project CONGRAN, and the Flemish Science Foundation (FWO-Vl). ; Approved Most recent IF: 3.836; 2015 IF: 3.736
Call Number c:irua:130203 Serial 4127
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Author Sudheendra, L.; Moshnyaga, V.; Lebedev, O.I.; Gehrke, K.; Belenciuc, A.; Shapoval, O.; Van Tendeloo, G.; Samwer, K.
Title (down) A-site ordering and stripe phases in manganite films Type A1 Journal article
Year 2008 Publication Physica: B : condensed matter T2 – International Conference on Strongly Correlated Electron Systems (SCES, 2007), MAY 13-18, 2007, Houston, TX Abbreviated Journal Physica B
Volume 403 Issue 5-9 Pages 1645-1646
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Insulating and metallic stripes above and below the Curie temperature, T-C, respectively, were observed by a high-resolution scanning tunneling microscopy (STM) and/or spectroscopy (STS) in A-site ordered and macroscopically strain free epitaxial La0.75Ca0.25MnO3 film grown on MgO substrate. The “insulating” stripes were found to be incommensurable to the lattice and aligned along (110) direction. Metallic stripes were commensurable with periodicity 2a(p)similar to 0.8 nm and aligned parallel to the crystallographic a/b-axis. Formation of these stripes involves competing charge, orbital, and lattice orders and is an outcome of an overlapping of electron wave functions mediated by the local lattice-strain distribution, existed even in A-site ordered film due to the difference in cation radii of La and Ca. (C) 2007 Elsevier B.V. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000254689900330 Publication Date 2007-11-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0921-4526; ISBN Additional Links UA library record; WoS full record
Impact Factor 1.386 Times cited Open Access
Notes Approved Most recent IF: 1.386; 2008 IF: 0.822
Call Number UA @ lucian @ c:irua:104031 Serial 26
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Author Ferreira, W.P.; Farias, G.A.; Peeters, F.M.
Title (down) A two-component mixture of charged particles confined in a channel: melting Type A1 Journal article
Year 2010 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat
Volume 22 Issue 28 Pages 11
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The melting of a binary system of charged particles confined in a quasi-one-dimensional parabolic channel is studied through Monte Carlo simulations. At zero temperature the particles are ordered in parallel chains. The melting is anisotropic and different melting temperatures are obtained according to the spatial direction, and the different kinds of particles present in the system. Melting is very different for the single-, two- and four-chain configurations. A temperature induced structural phase transition is found between two different four-chain ordered states which is absent in the mono-disperse system. In the mixed regime, where the two kinds of particles are only slightly different, melting is almost isotropic and a thermally induced homogeneous distribution of the distinct kinds of charges is observed.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000279257300023 Publication Date 2010-06-16
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 2.649 Times cited 10 Open Access
Notes ; This work was supported by CNPq, the Flemish Science Foundation (FWO-V1) and the bilateral program between Flanders and Brazil. ; Approved Most recent IF: 2.649; 2010 IF: 2.332
Call Number UA @ lucian @ c:irua:83862 Serial 3771
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Author Zhang, Z.; Geng, W.; van Landuyt, J.; Van Tendeloo, G.
Title (down) A transmission electron microscopy study of tweed-like structures in Al62Cu17.5CO17.5Si3 decagonal quasicrystals Type A1 Journal article
Year 1995 Publication Philosophical magazine: A: physics of condensed matter: defects and mechanical properties Abbreviated Journal
Volume 71 Issue 5 Pages 1177-1189
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos A1995QW79500016 Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0141-8610; 1364-2804 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 7 Open Access
Notes Approved no
Call Number UA @ lucian @ c:irua:13296 Serial 3721
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Author Lebedev, O.I.; Van Tendeloo, G.; Abakumov, A.M.; Amelinckx, S.; Leibold, B.; Habermeier, H.-U.
Title (down) A study of the domain structure of epitaxial (La-Ca)MnO3 films by high-resolution transmission electron microscopy Type A1 Journal article
Year 1999 Publication Philosophical magazine: A: physics of condensed matter: defects and mechanical properties Abbreviated Journal Philos Mag A
Volume 79 Issue Pages 1461-1478
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000080687900013 Publication Date 2007-07-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0141-8610;1460-6992; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 27 Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:29713 Serial 3335
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Author de Gryse, O.; Vanhellemont, J.; Clauws, P.; Lebedev, O.; van Landuyt, J.; Simoen, E.; Claeys, C.
Title (down) A novel approach to analyse FTIR spectra of precipitates in boron-doped silicon Type A1 Journal article
Year 2003 Publication Physica: B : condensed matter T2 – 22nd International Conference on Defects in Semiconductors (ICDS-22), JUL 28-AUG 01, 2003, UNIV AARHUS, AARHUS, DENMARK Abbreviated Journal Physica B
Volume 340 Issue Pages 1013-1017
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Infrared absorption spectra of composite precipitates are analysed with a modified Day-Thorpe algorithm, assuming a precipitated phase consisting of a mixture of two components with known optical properties. Additional constraints are introduced when solving the model equations by using a priori knowledge making the algorithm more reliable. It is shown that this novel approach allows determining both morphology and composition of precipitates. The method is applied to characterise oxide precipitates in boron-doped silicon. The results indicate that for the resistivity range above 60 mOmegacm, the precipitated phase is most probably SiO1.17+/-0.14, while for resistivities below 20 mOmega cm, precipitates consist of a SiO2/B2O3 composite with a large volume fraction of B(2)0(3) (up to 40% for 8 mOmegacm material). (C) 2003 Elsevier B.V. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000188300200213 Publication Date 2003-11-24
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0921-4526; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.386 Times cited 4 Open Access
Notes Approved Most recent IF: 1.386; 2003 IF: 0.908
Call Number UA @ lucian @ c:irua:103784 Serial 25
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Author Cassiers, K.; van der Voort, P.; Linssen, T.; Vansant, E.F.; Lebedev, O.; van Landuyt, J.
Title (down) A counterion-catalyzed (S0H+)(X-I+) pathway toward heat- and steam-stable mesostructured silica assembled from amines in acidic conditions Type A1 Journal article
Year 2003 Publication The journal of physical chemistry : B : condensed matter, materials, surfaces, interfaces and biophysical Abbreviated Journal J Phys Chem B
Volume 107 Issue 16 Pages 3690-3696
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA)
Abstract An alternative pathway to assemble mesoporous molecular sieve silicas is developed using nonionic alkylamines and N,N-dimethylalkylamines (SO) as structure-directing agents in acidic conditions. The synthesized mesostructures possess wormhole-like frameworks with pore sizes and pore volumes in the range of 20-90 Angstrom and 0.5-1.3 cm(3)/g, respectively. The formation of the mesophase is controlled by a counterion-mediated mechanism of the type (S(0)H(+))(X(-)I(+)), where S(0)H(+) are protonated water molecules that are hydrogen bonded to the lone electron pairs on the amine surfactant headgroups (S(0)H(+)), X(-) is the counteranion originating from the acid, and I(+) are the positively charged (protonated) silicate species. We found that the stronger the ion X(-) is bonded to S(0)H(+), the more it catalyzes the silica condensation into (S(0)H(+))(X(-)I(+)). Br(-) is shown to be a strong binding anion and therefore a fast silica polymerization promoter compared to Cl(-) resulting in the formation of a higher quality mesophase for the Br(-) syntheses. We also showed that the polymerization rate of the silica, dictated by the counterion, controls the morphology of the mesostructures from nonuniform agglomerated blocks in the case of Br(-) syntheses to spherical particles for the Cl(-) syntheses. Next to many benefits such as low temperature, short synthesis time, and the use of inexpensive, nontoxic, and easily extractable amine templates, the developed materials have a remarkable higher thermal and hydrothermal stability compared to hexagonal mesoporous silica, which is also prepared with nonionic amines but formed through the S(0)I(0) mechanism.
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor
Language Wos 000182350200005 Publication Date 2003-04-17
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1520-6106;1520-5207; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.177 Times cited 9 Open Access
Notes Approved Most recent IF: 3.177; 2003 IF: 3.679
Call Number UA @ lucian @ c:irua:103300 Serial 24
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Author Čukarić, N.A.; Tadić, M.Z.; Partoens, B.; Peeters, F.M.
Title (down) 30-band k\cdot p model of electron and hole states in silicon quantum wells Type A1 Journal article
Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 88 Issue 20 Pages 205306
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We modeled the electron and hole states in Si/SiO2 quantum wells within a basis of standing waves using the 30-band k . p theory. The hard-wall confinement potential is assumed, and the influence of the peculiar band structure of bulk silicon on the quantum-well sub-bands is explored. Numerous spurious solutions in the conduction-band and valence-band energy spectra are found and are identified to be of two types: (1) spurious states which have large contributions of the bulk solutions with large wave vectors (the high-k spurious solutions) and (2) states which originate mainly from the spurious valley outside the Brillouin zone (the extravalley spurious solutions). An algorithm to remove all those nonphysical solutions from the electron and hole energy spectra is proposed. Furthermore, slow and oscillatory convergence of the hole energy levels with the number of basis functions is found and is explained by the peculiar band mixing and the confinement in the considered quantum well. We discovered that assuming the hard-wall potential leads to numerical instability of the hole states computation. Nonetheless, allowing the envelope functions to exponentially decay in a barrier of finite height is found to improve the accuracy of the computed hole states.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000327161500007 Publication Date 2013-11-20
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 10 Open Access
Notes ; This work was supported by the Ministry of Education, Science, and Technological Development of Serbia, the Belgian Science Policy (IAP), the Flemish fund for Scientific Research (FWO-Vl), and the Methusalem programme of the Flemish government. ; Approved Most recent IF: 3.836; 2013 IF: 3.664
Call Number UA @ lucian @ c:irua:112704 Serial 18
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Author Vávra, O.; Gaži, S.; Golubović, D.S.; Vávra, I.; Dérer, J.; Verbeeck, J.; Van Tendeloo, G.; Moshchalkov, V.V.
Title (down) 0 and π phase Josephson coupling through an insulating barrier with magnetic impurities Type A1 Journal article
Year 2006 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 74 Issue 2 Pages 020502
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract We have studied the temperature and field dependencies of the critical current I(C) in the Nb-Fe(0.1)Si(0.9)-Nb Josephson junction with a tunneling barrier formed by a paramagnetic insulator. We demonstrate that in these junctions coexistence of both the 0 and the pi states within one tunnel junction occurs, and leads to the appearance of a sharp cusp in the temperature dependence I(C)(T), similar to the I(C)(T) cusp found for the 0-pi transition in metallic pi junctions. This cusp is not related to the 0-pi temperature-induced transition itself, but is caused by the different temperature dependencies of the opposing 0 and pi supercurrents through the barrier.
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000239426600010 Publication Date 2006-07-15
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 27 Open Access
Notes Approved Most recent IF: 3.836; 2006 IF: 3.107
Call Number UA @ lucian @ c:irua:60087 c:irua:60087 c:irua:60087 c:irua:60087UA @ admin @ c:irua:60087 Serial 1
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Author Tsirlin, A.A.; Abakumov, A.M.; Ritter, C.; Rosner, H.
Title (down) (CuCl)LaTa2O\text{7} and quantum phase transition in the (CuX)LaM2O7 family (X=Cl, Br; M=Nb, Ta) Type A1 Journal article
Year 2012 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 86 Issue 6 Pages 064440-12
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract We apply neutron diffraction, high-resolution synchrotron x-ray diffraction, magnetization measurements, electronic structure calculations, and quantum Monte-Carlo simulations to unravel the structure and magnetism of (CuCl)LaTa2O7. Despite the pseudo-tetragonal crystallographic unit cell, this compound features an orthorhombic superstructure, similar to the Nb-containing (CuX)LaNb2O7 with X = Cl and Br. The spin lattice entails dimers formed by the antiferromagnetic fourth-neighbor coupling J(4), as well as a large number of nonequivalent interdimer couplings quantified by an effective exchange parameter J(eff). In (CuCl)LaTa2O7, the interdimer couplings are sufficiently strong to induce the long-range magnetic order with the Neel temperature T-N similar or equal to 7 K and the ordered magnetic moment of 0.53 mu(B), as measured with neutron diffraction. This magnetic behavior can be accounted for by J(eff)/J(4) similar or equal to 1.6 and J(4) similar or equal to 16 K. We further propose a general magnetic phase diagram for the (CuCl)LaNb2O7-type compounds, and explain the transition from the gapped spin-singlet (dimer) ground state in (CuCl)LaNb2O7 to the long-range antiferromagnetic order in (CuCl)LaTa2O7 and (CuBr)LaNb2O7 by an increase in the magnitude of the interdimer couplings J(eff)/J(4), with the (CuCl)LaM2O7 (M = Nb, Ta) compounds lying on different sides of the quantum critical point that separates the singlet and long-range-ordered magnetic ground states.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000308127600006 Publication Date 2012-08-29
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 6 Open Access
Notes Approved Most recent IF: 3.836; 2012 IF: 3.767
Call Number UA @ lucian @ c:irua:101886 Serial 3526
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Author Kiflawi, I.; Bruley, J.; Luyten, W.; Van Tendeloo, G.
Title (down) 'Natural' and 'man-made' platelets in type-la diamonds Type A1 Journal article
Year 1998 Publication Philosophical magazine: B: physics of condensed matter: electronic, optical and magnetic properties Abbreviated Journal
Volume 78 Issue 3 Pages 299-314
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract 'Natural' platelets are planar defects in {001} planes found in natural type-IaA/B diamonds. 'Man-made' platelets are platelets formed in the laboratory by annealing type-IaA diamonds at temperatures over 2500 degrees C. Careful study shows that the infrared (IR) spectra of the 'man-made' platelets are different from the IR spectra of 'natural' platelets. High-temperature (T greater than or equal to 2000 degrees C) annealing of platelets containing type-IaA/B diamonds modifies the IR absorption spectrum owing to the 'natural' platelets and makes it similar to the IR spectrum of the 'man-made' platelets. It is suggested that such high-temperature annealing changes the structure of the 'natural' platelets. The changes are too subtle to be detected by electron microscopy techniques. Topographic electron-energy-loss spectroscopy shows that platelets contain nitrogen at an average density of 0.7 atoms per a(0)(2); however, high-temperature annealing does not seem to affect the concentration of the nitrogen in the platelets.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000075663700004 Publication Date 2007-07-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1364-2812;1463-6417; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 13 Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:25667 Serial 2285
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Author Lei, C.H.; Amelinckx, S.; Van Tendeloo, G.
Title (down) 'Disordered' Ba(Mg1/3Ta2/3)O3 and its ordering transition Type A1 Journal article
Year 2002 Publication Philosophical magazine: A: physics of condensed matter: defects and mechanical properties Abbreviated Journal Philos Mag A
Volume 82 Issue 11 Pages 2321-2332
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000177061000007 Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0141-8610; 1364-2804 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 5 Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:54754 Serial 735
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