| Records |
| Author |
Pelloquin, D.; Hervieu, M.; Michel, C.; Van Tendeloo, G.; Maignan, A.; Raveau, B. |
| Title |
A 94K Hg-based superconductor with a “1212” structure HG0.5Bi0.5Sr2Ca1-xRxCu2O6+\delta (R=ND,Y,Pr) |
Type |
A1 Journal article |
| Year |
1993 |
Publication |
Physica: C : superconductivity |
Abbreviated Journal |
Physica C |
| Volume |
216 |
Issue |
|
Pages |
257-263 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
Publisher  |
|
Place of Publication |
Amsterdam |
Editor |
|
| Language |
|
Wos |
A1993ME74800004 |
Publication Date |
0000-00-00 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0921-4534 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
0.942 |
Times cited |
62 |
Open Access |
|
| Notes |
|
Approved |
no |
| Call Number |
UA @ lucian @ c:irua:6844 |
Serial |
21 |
| Permanent link to this record |
| |
|
| |
| Author |
Tyablikov, O.A.; Batuk, D.; Tsirlin, A.A.; Batuk, M.; Verchenko, V.Y.; Filimonov, D.S.; Pokholok, K.V.; Sheptyakov, D.V.; Rozova, M.G.; Hadermann, J.; Antipov, E.V.; Abakumov, A.M.; |
| Title |
{110}-Layered B-cation ordering in the anion-deficient perovskite Pb2.4Ba2.6Fe2Sc2TiO13 with the crystallographic shear structure |
Type |
A1 Journal article |
| Year |
2015 |
Publication |
Journal of the Chemical Society : Dalton transactions |
Abbreviated Journal |
Dalton T |
| Volume |
44 |
Issue |
44 |
Pages |
10753-10762 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
A novel anion-deficient perovskite-based compound, Pb2.4Ba2.6Fe2Sc2TiO13, was synthesized via the citrate-based route. This compound is an n = 5 member of the A(n)B(n)O(3n-2) homologous series with unit-cell parameters related to the perovskite subcell a(p) approximate to 4.0 angstrom as a(p)root 2 x a(p) x 5a(p)root 2. The crystal structure of Pb2.4Ba2.6Fe2Sc2TiO13 consists of quasi-2D perovskite blocks with a thickness of three octahedral layers separated by the 1/2[110]((1) over bar 01)(p) crystallographic shear (CS) planes, which are parallel to the {110} plane of the perovskite subcell. The CS planes transform the corner-sharing octahedra into chains of edge-sharing distorted tetragonal pyramids. Using a combination of neutron powder diffraction, Fe-57 Mossbauer spectroscopy and atomic resolution electron energy-loss spectroscopy we demonstrate that the B-cations in Pb2.4Ba2.6Fe2Sc2TiO13 are ordered along the {110} perovskite layers with Fe3+ in distorted tetragonal pyramids along the CS planes, Ti4+ preferentially in the central octahedra of the perovskite blocks and Sc3+ in the outer octahedra of the perovskite blocks. Magnetic susceptibility and Mossbauer spectroscopy indicate a broadened magnetic transition around T-N similar to 45 K and the onset of local magnetic fields at low temperatures. The magnetic order is probably reminiscent of that in other A(n)B(n)O(3n-2) homologues, where G-type AFM order within the perovskite blocks has been observed. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
London |
Editor |
|
| Language |
|
Wos |
000355701000026 |
Publication Date |
2015-01-26 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1477-9226;1477-9234; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
4.029 |
Times cited |
1 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 4.029; 2015 IF: 4.197 |
| Call Number |
c:irua:127001 |
Serial |
22 |
| Permanent link to this record |
| |
|
| |
| Author |
Lioutas, C.B.; Manolikas, C.; Van Tendeloo, G.; van Landuyt, J. |
| Title |
A 2a2a3c superstructure in hexagonal Ni1-xS : a study by means of electron-diffraction and HRTEM |
Type |
A1 Journal article |
| Year |
1993 |
Publication |
Journal of crystal growth |
Abbreviated Journal |
J Cryst Growth |
| Volume |
126 |
Issue |
2-3 |
Pages |
457-465 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
The high temperature phase of Ni1-xS has the NiAs-type structure. The coexistence of two superstructures, ''3a3a3c'' and ''2a2a3c'' with the basic phase is confirmed by means of electron diffraction. The 2a2a3c superstructure is studied by means of electron diffraction and high resolution electron microscopy. A structure model is proposed based on the periodic insertion of stacking faults in the NiAs-type basic structure and the ordering of vacancies in alternate metal-atom layers. Microtwinning in very narrow slabs is found to be a main feature of the 2a2a3c regions and two defect models are discussed. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
| Language |
|
Wos |
A1993KH92500029 |
Publication Date |
2002-10-16 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0022-0248; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.698 |
Times cited |
4 |
Open Access |
|
| Notes |
|
Approved |
no |
| Call Number |
UA @ lucian @ c:irua:103012 |
Serial |
23 |
| Permanent link to this record |
| |
|
| |
| Author |
Cassiers, K.; van der Voort, P.; Linssen, T.; Vansant, E.F.; Lebedev, O.; van Landuyt, J. |
| Title |
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 |
| Permanent link to this record |
| |
|
| |
| Author |
de Gryse, O.; Vanhellemont, J.; Clauws, P.; Lebedev, O.; van Landuyt, J.; Simoen, E.; Claeys, C. |
| Title |
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 |
| Permanent link to this record |
| |
|
| |
| Author |
Sudheendra, L.; Moshnyaga, V.; Lebedev, O.I.; Gehrke, K.; Belenciuc, A.; Shapoval, O.; Van Tendeloo, G.; Samwer, K. |
| Title |
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 |
| Permanent link to this record |
| |
|
| |
| 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 |
| Permanent link to this record |
| |
|
| |
| Author |
Titantah, J.T.; Lamoen, D.; Schowalter, M.; Rosenauer, A. |
| Title |
Ab initio based atomic scattering amplitudes and {002} electron structure factors of InxGa1-xAs/GaAs quantum wells |
Type |
A1 Journal article |
| Year |
2010 |
Publication |
Journal of physics : conference series |
Abbreviated Journal |
|
| Volume |
209 |
Issue |
1 |
Pages |
012040,1-012040,6 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
The atomic scattering amplitudes of the various atoms of the systems Ga1−xInxAs, GaAs1−xNx and InAs1−xNx are calculated using the density functional theory (DFT) approach. The scattering amplitudes of N, Ga, As and In in the model systems are compared with the frequently used Doyle and Turner values. Deviation from the latter values is found for small scattering vectors (s<0.3Å−1) and for these scattering vectors dependence on the orientation of the scattering vector and the chemical environment is reported. We suggest a parametrization of these modified scattering amplitudes (MASAs) for small scattering vectors (s<1.0Å−1). The MASAs are exploited within zero pressure classical Metropolis Monte Carlo (MC), finite temperature calculations to investigate the effect of quantum well size on the electron {002} structure factor (SF) of Ga1−xInxAs quantum wells. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Bristol |
Editor |
|
| Language |
|
Wos |
000283739100040 |
Publication Date |
2010-02-27 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1742-6596; |
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:85760 |
Serial |
28 |
| Permanent link to this record |
| |
|
| |
| Author |
Dadsetani, M.; Titantah, J.T.; Lamoen, D. |
| Title |
Ab initio calculation of the energy-loss near-edge structure of some carbon allotropes: comparison with n-diamond |
Type |
A1 Journal article |
| Year |
2010 |
Publication |
Diamond and related materials |
Abbreviated Journal |
Diam Relat Mater |
| Volume |
19 |
Issue |
1 |
Pages |
73-77 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
The energy-loss near-edge structure (ELNES) spectra of several carbon allotropes (non-hydrogenated and hydrogenated face-centered cubic (FCC) carbon, rhombohedral carbon, glitter, hexagonite and lonsdaleite) are calculated within the supercell-core-excited density functional theory approach. In particular an experimental ELNES spectrum of new diamond (n-diamond) [Konyashin et al., Diamond Relat. Mater. 10, (2001) 99102] is compared with the ELNES spectra of FCC carbon, rhombohedral carbon and the so-called glitter structure. Our calculations show that the ELNES spectrum considered in that publication cannot be that of FCC carbon. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
| Language |
|
Wos |
000274234500013 |
Publication Date |
2009-11-12 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0925-9635; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.561 |
Times cited |
11 |
Open Access |
|
| Notes |
Goa; Esteem 026019 |
Approved |
Most recent IF: 2.561; 2010 IF: 1.825 |
| Call Number |
UA @ lucian @ c:irua:79444 |
Serial |
29 |
| Permanent link to this record |
| |
|
| |
| Author |
Nivesanond, K.; Peeters, A.; Lamoen, D.; van Alsenoy, C. |
| Title |
Ab initio calculation of the interaction energy in the P2 binding pocket of HIV-1 protease |
Type |
A1 Journal article |
| Year |
2005 |
Publication |
International Journal Of Quantum Chemistry |
Abbreviated Journal |
Int J Quantum Chem |
| Volume |
105 |
Issue |
3 |
Pages |
292-299 |
| Keywords |
A1 Journal article; Electron Microscopy for Materials Science (EMAT); |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
New York, N.Y. |
Editor |
|
| Language |
|
Wos |
000232232300009 |
Publication Date |
2005-07-18 |
| 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 |
8 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 2.92; 2005 IF: 1.192 |
| Call Number |
UA @ lucian @ c:irua:54919 |
Serial |
30 |
| Permanent link to this record |
| |
|
| |
| Author |
Schowalter, M.; Rosenauer, A.; Lamoen, D.; Kruse, P.; Gerthsen, D. |
| Title |
Ab initio computation of the mean inner Coulomb potential of technological important semiconductors |
Type |
A1 Journal article |
| Year |
2005 |
Publication |
|
Abbreviated Journal |
|
| Volume |
1007 |
Issue |
|
Pages |
233-236 |
| Keywords |
A1 Journal article; Electron Microscopy for Materials Science (EMAT); |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Berlin |
Editor |
|
| Language |
|
Wos |
|
Publication Date |
0000-00-00 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0930-8989 |
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:72915 |
Serial |
32 |
| Permanent link to this record |
| |
|
| |
| Author |
Martin, J.M.L.; François, J.P.; Gijbels, R. |
| Title |
Ab initio spectroscopy and thermochemistry of the BN molecule |
Type |
A1 Journal article |
| Year |
1991 |
Publication |
Zeitschrift für Physik : D : atoms, molecules and clusters |
Abbreviated Journal |
|
| Volume |
21 |
Issue |
|
Pages |
47-55 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Berlin |
Editor |
|
| Language |
|
Wos |
A1991GA17200008 |
Publication Date |
0000-00-00 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0178-7683 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
|
Times cited |
17 |
Open Access |
|
| Notes |
|
Approved |
no |
| Call Number |
UA @ lucian @ c:irua:714 |
Serial |
34 |
| Permanent link to this record |
| |
|
| |
| Author |
Martin, J.M.L.; Taylor, P.R.; François, J.P.; Gijbels, R. |
| Title |
Ab initio study of the spectroscopy, kinetics, and thermochemistry of the BN2 molecule |
Type |
A1 Journal article |
| Year |
1994 |
Publication |
Chemical physics letters |
Abbreviated Journal |
Chem Phys Lett |
| Volume |
222 |
Issue |
|
Pages |
517-523 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
| Language |
|
Wos |
A1994NN02600016 |
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 |
no |
| Call Number |
UA @ lucian @ c:irua:10255 |
Serial |
36 |
| Permanent link to this record |
| |
|
| |
| Author |
Martin, J.M.L.; Taylor, P.R.; François, J.P.; Gijbels, R. |
| Title |
Ab initio study of the spectroscopy, kinetics, and thermochemistry of the C2N and CN2 molecules |
Type |
A1 Journal article |
| Year |
1994 |
Publication |
Chemical physics letters |
Abbreviated Journal |
Chem Phys Lett |
| Volume |
226 |
Issue |
5/6 |
Pages |
475-483 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
Several structures and electronic states of the C2N and CN2 molecules have been studied using complete active space SCF (CASSCF), multireference configuration interaction (MRCI), and coupled cluster (CCSD(T)) methods. Both molecules are very stable. Our best computed total atomization energies SIGMAD(e) are 288.6 +/- 2 kcal/mol for CN2, and 294.1 +/- 2 kcal/mol for C2N. The CNC and CCN structures for C2N are nearly isoenergetic. CNN(3PI) lies about 30 kcal/mol above NCN(3PI(g)), but has a high barrier towards interconversion and is therefore observed experimentally. Computed harmonic frequencies for CNN are sensitive to the correlation treatment: they are reproduced well using multireference methods as well as the CCSD(T) method. High spin contamination has a detrimental effect on computed harmonic frequencies at the CCSD(T) level. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
| Language |
|
Wos |
A1994PE00500008 |
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 |
46 |
Open Access |
|
| Notes |
|
Approved |
no |
| Call Number |
UA @ lucian @ c:irua:10256 |
Serial |
37 |
| Permanent link to this record |
| |
|
| |
| Author |
Martin, J.M.L.; François, J.P.; Gijbels, R. |
| Title |
Ab initio study of the structure, infrared spectra and heat of formation of C4 |
Type |
A1 Journal article |
| Year |
1991 |
Publication |
The journal of chemical physics |
Abbreviated Journal |
J Chem Phys |
| Volume |
94 |
Issue |
|
Pages |
3753-3761 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
New York, N.Y. |
Editor |
|
| Language |
|
Wos |
A1991FA77800052 |
Publication Date |
0000-00-00 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0021-9606 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.952 |
Times cited |
62 |
Open Access |
|
| Notes |
|
Approved |
no |
| Call Number |
UA @ lucian @ c:irua:715 |
Serial |
38 |
| Permanent link to this record |
| |
|
| |
| Author |
Taylor, P.R.; Martin, J.M.L.; François, J.P.; Gijbels, R. |
| Title |
An ab initio study of the C3+ cation using multireference methods |
Type |
A1 Journal article |
| Year |
1991 |
Publication |
The journal of chemical physics |
Abbreviated Journal |
J Chem Phys |
| Volume |
95 |
Issue |
|
Pages |
6530-6534 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
New York, N.Y. |
Editor |
|
| Language |
|
Wos |
|
Publication Date |
0000-00-00 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0021-9606 |
ISBN |
|
Additional Links |
UA library record |
| Impact Factor |
2.952 |
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
no |
| Call Number |
UA @ lucian @ c:irua:720 |
Serial |
39 |
| Permanent link to this record |
| |
|
| |
| Author |
Cai, Z.L.; Martin, J.M.L.; François, J.P.; Gijbels, R. |
| Title |
Ab initio study of the X2\Sigma+ and A 2\Pi states of the SiN radical |
Type |
A1 Journal article |
| Year |
1996 |
Publication |
Chemical physics letters |
Abbreviated Journal |
Chem Phys Lett |
| Volume |
252 |
Issue |
5/6 |
Pages |
398-404 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
The equilibrium bond length, harmonic frequency, first and second order anharmonicity constants, rotational and centrifugal distortion constants, as well as the rotation-vibrational and centrifugal coupling constants for the ground X(2) Sigma(+) and first excited A(2) Pi states of the SiN radical have been calculated at the complete active space SCF (CASSCF), multireference CI (MRCI) and coupled cluster (CCSD(T)) levels using Dunning's correlation-consistent basis sets. The excitation energy of the A(2) Pi State has also been computed at these theoretical levels. Dipole moments of SiN in the X(2) Sigma(+) and A(2) Pi states are given. Our study shows that core correlation must be considered in order to obtain satisfactory accuracy for the spectroscopic constants. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
| Language |
|
Wos |
A1996UJ45000017 |
Publication Date |
2003-05-12 |
| 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 |
28 |
Open Access |
|
| Notes |
|
Approved |
no |
| Call Number |
UA @ lucian @ c:irua:12328 |
Serial |
40 |
| Permanent link to this record |
| |
|
| |
| Author |
Turner, S.; Shenderova, O.; da Pieve, F.; Lu, Y.-G.; Yücelen, E.; Verbeeck, J.; Lamoen, D.; Van Tendeloo, G. |
| Title |
Aberration-corrected microscopy and spectroscopy analysis of pristine, nitrogen containing detonation nanodiamond |
Type |
A1 Journal article |
| Year |
2013 |
Publication |
Physica status solidi : A : applications and materials science |
Abbreviated Journal |
Phys Status Solidi A |
| Volume |
210 |
Issue |
10 |
Pages |
1976-1984 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
Aberration-corrected transmission electron microscopy, electron energy-loss spectroscopy, and density functional theory (DFT) calculations are used to solve several key questions about the surface structure, the particle morphology, and the distribution and nature of nitrogen impurities in detonation nanodiamond (DND) cleaned by a recently developed ozone treatment. All microscopy and spectroscopy measurements are performed at a lowered acceleration voltage (80/120kV), allowing prolonged and detailed experiments to be carried out while minimizing the risk of knock-on damage or surface graphitization of the nanodiamond. High-resolution TEM (HRTEM) demonstrates the stability of even the smallest nanodiamonds under electron illumination at low voltage and is used to image the surface structure of pristine DND. High resolution electron energy-loss spectroscopy (EELS) measurements on the fine structure of the carbon K-edge of nanodiamond demonstrate that the typical * pre-peak in fact consists of three sub-peaks that arise from the presence of, amongst others, minimal fullerene-like reconstructions at the nanoparticle surfaces and deviations from perfect sp(3) coordination at defects in the nanodiamonds. Spatially resolved EELS experiments evidence the presence of nitrogen within the core of DND particles. The nitrogen is present throughout the whole diamond core, and can be enriched at defect regions. By comparing the fine structure of the experimental nitrogen K-edge with calculated energy-loss near-edge structure (ELNES) spectra from DFT, the embedded nitrogen is most likely related to small amounts of single substitutional and/or A-center nitrogen, combined with larger nitrogen clusters. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000329299700025 |
Publication Date |
2013-10-18 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1862-6300; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.775 |
Times cited |
37 |
Open Access |
|
| Notes |
262348 ESMI; 246791 COUNTATOMS; FWO; Hercules; GOA XANES meets ELNES |
Approved |
Most recent IF: 1.775; 2013 IF: 1.525 |
| Call Number |
UA @ lucian @ c:irua:110821UA @ admin @ c:irua:110821 |
Serial |
41 |
| Permanent link to this record |
| |
|
| |
| Author |
Bertoni, G.; Verbeeck, J. |
| Title |
Accuracy and precision in model based EELS quantification |
Type |
A1 Journal article |
| Year |
2008 |
Publication |
Ultramicroscopy |
Abbreviated Journal |
Ultramicroscopy |
| Volume |
108 |
Issue |
8 |
Pages |
782-790 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
We present results on model based quantification of electron energy loss spectra (EELS), focusing on the factors that influence accuracy and precision in determining chemical concentrations. Several sources of systematical errors are investigated. The spectrometer entrance aperture determines the collection angle, and the effects of its position with respect to the transmitted beam are investigated, taking into account the diffraction by the crystal structure. The effect of the orientation of the sample is tested experimentally and theoretically on SrTiO3, and finally, a simulated experiment on c-BN at different thicknesses confirms the superior results of the model based method with respect to the conventional method. A test on a set of experimental reference compounds is presented, showing that remarkably good accuracy can be obtained. Recommendations are given to achieve high accuracy and precision in practice. (C) 2008 Elsevier B.V. All rights reserved. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
| Language |
|
Wos |
000258241900010 |
Publication Date |
2008-02-22 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0304-3991; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.843 |
Times cited |
44 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 2.843; 2008 IF: 2.629 |
| Call Number |
UA @ lucian @ c:irua:70550UA @ admin @ c:irua:70550 |
Serial |
42 |
| Permanent link to this record |
| |
|
| |
| Author |
Szafran, B.; Bednarek, S.; Adamowski, J.; Tavernier, M.B.; Anisimovas, E.; Peeters, F.M. |
| Title |
Accuracy of the Hartree-Fock method for Wigner molecules at high magnetic fields |
Type |
A1 Journal article |
| Year |
2004 |
Publication |
European physical journal : D : atomic, molecular and optical physics |
Abbreviated Journal |
Eur Phys J D |
| Volume |
28 |
Issue |
3 |
Pages |
373-380 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
Few-electron systems confined in two-dimensional parabolic quantum dots at high magnetic fields are studied by the Hartree-Fock (HF) and exact diagoiialization methods. A generalized multicenter Gaussian basis is proposed in the HF method. A comparison of the HF and exact, results allows as to discuss the relevance of the symmetry of the charge density distribution for the accuracy of the HF method. It is shown that the energy estimates obtained with the broken-symmetry HF wave functions become exact in the infinite magnetic-field limit. In this limit the charge density of the broken-symmetry solution call be identified with the classical charge distribution. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Berlin |
Editor |
|
| Language |
|
Wos |
000220378400008 |
Publication Date |
2004-03-19 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1434-6060;1434-6079; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.288 |
Times cited |
14 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 1.288; 2004 IF: 1.692 |
| Call Number |
UA @ lucian @ c:irua:103246 |
Serial |
43 |
| Permanent link to this record |
| |
|
| |
| Author |
Martin, J.M.L.; François, J.P.; Gijbels, R. |
| Title |
Accurate ab initio quartic force fields and thermochemistry of FNO and CINO |
Type |
A1 Journal article |
| Year |
1994 |
Publication |
The journal of physical chemistry |
Abbreviated Journal |
|
| Volume |
98 |
Issue |
44 |
Pages |
11394-11400 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
The quartic force fields of FNO and CINO have been computed at the CCSD(T)/cc-pVTZ level. Using an ''augmented'' basis set dramatically improves results for FNO but has no significant effect for CINO. The best computed force field for FNO yields harmonic frequencies and fundamentals in excellent agreement with experiment. Overall, the force fields proposed in the present work are probably the most reliable ones ever published for these molecules. Total atomization energies have been computed using basis sets of spdfg quality: our best estimates are Sigma D-0 = 208.5 +/- 1 and 185.4 +/- 1 kcal/mol for FN0 and CINO, respectively. The computed value for FNO suggests a problem with the established experimental heat of formation. Thermodynamic tables in JANAF style at 100-2000 K are presented for both FNO and CINO. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
|
| Language |
|
Wos |
A1994PP89400022 |
Publication Date |
2005-03-15 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0022-3654;1541-5740; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
|
Times cited |
21 |
Open Access |
|
| Notes |
|
Approved |
no |
| Call Number |
UA @ lucian @ c:irua:12310 |
Serial |
44 |
| Permanent link to this record |
| |
|
| |
| Author |
Martin, J.M.L.; François, J.P.; Gijbels, R. |
| Title |
Accurate ab initio quartic force fields for the sulfur compounds H2S, CS2, OCS and CS |
Type |
A1 Journal article |
| Year |
1995 |
Publication |
Journal of molecular spectroscopy |
Abbreviated Journal |
J Mol Spectrosc |
| Volume |
169 |
Issue |
|
Pages |
445-457 |
| Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
New York, N.Y. |
Editor |
|
| Language |
|
Wos |
A1995QD98400014 |
Publication Date |
2002-09-18 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0022-2852; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.482 |
Times cited |
37 |
Open Access |
|
| Notes |
|
Approved |
no |
| Call Number |
UA @ lucian @ c:irua:12277 |
Serial |
45 |
| Permanent link to this record |
| |
|
| |
| Author |
Saniz, R.; Vercauteren, S.; Lamoen, D.; Partoens, B.; Barbiellini, B. |
| Title |
Accurate description of the van der Waals interaction of an electron-positron pair with the surface of a topological insulator |
Type |
P1 Proceeding |
| Year |
2014 |
Publication |
Journal of physics : conference series |
Abbreviated Journal |
|
| Volume |
505 |
Issue |
|
Pages |
012002 |
| Keywords |
P1 Proceeding; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
| Abstract |
Positrons can be trapped in localized states at the surface of a material, and thus quite selectively interact with core or valence surface electrons. Hence, advanced surface positron spectroscopy techniques can present the ideal tools to study a topological insulator, where surface states play a fundamental role. We analyze the problem of a positron at a TI surface, assuming that it is a weakly physisorbed positronium (Ps) atom. To determine if the surface of interest in a material can sustain such a physisorption, an accurate description of the underlying van der Waals (vdW) interaction is essential. We have developed a first-principles parameterfree method, based on the density functional theory, to extract key parameters determining the vdW interaction potential between a Ps atom and the surface of a given material. The method has been successfully applied to quartz and preliminary results on Bi2Te2Se indicate the existence of a positron surface state. We discuss the robustness of our predictions versus the most relevant approximations involved in our approach. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Bristol |
Editor |
|
| Language |
|
Wos |
000338216500002 |
Publication Date |
2014-04-28 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1742-6588;1742-6596; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
|
Times cited |
2 |
Open Access |
|
| Notes |
; We thank A. Weiss for very useful conversations. We acknowledge financial support from FWO-Vlaanderen (projectG.0150.13). This work was carried out using the HPC infrastructure of the University of Antwerp (CalcUA), adivision of the Flemish Supercomputer Center (VSC), funded by the Hercules foundation and the Flemish Government (EWI Department). B. B. is supported by DOE grants Nos. DE-FG02-07ER46352 and DE-AC02-05CH11231 for theory support at ALS, Berkeley, and a NERSC computer time allocation. ; |
Approved |
Most recent IF: NA |
| Call Number |
UA @ lucian @ c:irua:118264 |
Serial |
46 |
| Permanent link to this record |
| |
|
| |
| Author |
De Gryse, O.; Clauws, P.; Rossou, L.; van Landuyt, J.; Vanhellemont, J. |
| Title |
Accurate infrared absorption measurement of interstitial and precipitated oxygen in p+ silicon wafers |
Type |
A1 Journal article |
| Year |
1999 |
Publication |
Microelectronic engineering |
Abbreviated Journal |
Microelectron Eng |
| Volume |
45 |
Issue |
2-3 |
Pages |
277-282 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
| Abstract |
A novel infrared absorption method has been developed to measure [he interstitial oxygen concentration in highly doped silicon. Thin samples of the order of 10-30 mu m are prepared in an essentially stress-free state without changing the state of the crystal. The oxygen concentration is then determined by measuring the height of the 1136-cm(-1) absorption peak due to interstitial oxygen at 5.5 K. The obtained results on as-grown samples are compared with those from gas fusion analysis. The precipitated oxygen concentration in annealed samples is also determined with the new method. It will be shown that the interstitial oxygen concentration in highly doped silicon can be determined with high accuracy and down to concentrations of 10(17) cm(-3). (C) 1999 Elsevier Science B.V. All rights reserved. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
| Language |
|
Wos |
000081748600023 |
Publication Date |
2002-07-25 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0167-9317; |
ISBN |
|
Additional Links |
UA library record; WoS full record |
| Impact Factor |
1.806 |
Times cited |
|
Open Access |
|
| Notes |
Fwo-G.0051.97; Fwo-G.00117.86 |
Approved |
Most recent IF: 1.806; 1999 IF: 0.815 |
| Call Number |
UA @ lucian @ c:irua:95791 |
Serial |
47 |
| Permanent link to this record |
| |
|
| |
| Author |
de Gryse, O.; Clauws, P.; Rossou, L.; van Landuyt, J.; Vanhellemont, J. |
| Title |
Accurate infrared spectroscopy determination of interstitial and precipitated oxygen in highly doped Czochralski-grown silicon |
Type |
A1 Journal article |
| Year |
1999 |
Publication |
The review of scientific instruments |
Abbreviated Journal |
Rev Sci Instrum |
| Volume |
70 |
Issue |
9 |
Pages |
3661-3663 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
A method has been developed to determine the interstitial and precipitated oxygen concentration in highly doped n- and p-type silicon. 10-30-mu m-thin silicon samples in a mechanical stress-free state and without alteration of the thermal history are prepared and measured with Fourier transform infrared spectroscopy at 5.5-6 K. The measured oxygen contents in the as-grown Si samples agree well with those obtained with gas fusion analysis. In the highly boron-doped samples, the interstitial oxygen can be determined down to 10(17) cm(-3). (C) 1999 American Institute of Physics. [S0034-6748(99)04909-6]. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
New York, N.Y. |
Editor |
|
| Language |
|
Wos |
000082289200026 |
Publication Date |
2002-07-26 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0034-6748; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.515 |
Times cited |
5 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 1.515; 1999 IF: 1.293 |
| Call Number |
UA @ lucian @ c:irua:103487 |
Serial |
48 |
| Permanent link to this record |
| |
|
| |
| Author |
Geuens, P.; Lebedev, O.I.; van Dyck, D.; Van Tendeloo, G. |
| Title |
Accurate measurements of atomic displacements in La0.9Sr0.1MnO3 thin films grown on a SrTiO3 substrate |
Type |
H3 Book chapter |
| Year |
2000 |
Publication |
|
Abbreviated Journal |
|
| Volume |
|
Issue |
|
Pages |
1133-1134 |
| Keywords |
H3 Book chapter; Electron microscopy for materials research (EMAT); Vision lab |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
s.l. |
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:54730 |
Serial |
49 |
| Permanent link to this record |
| |
|
| |
| Author |
Lobato, I. |
| Title |
Accurate modeling of high angle electron scattering |
Type |
Doctoral thesis |
| Year |
2014 |
Publication |
|
Abbreviated Journal |
|
| Volume |
|
Issue |
|
Pages |
|
| Keywords |
Doctoral thesis; Electron microscopy for materials research (EMAT) |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Antwerpen |
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:120593 |
Serial |
50 |
| Permanent link to this record |
| |
|
| |
| Author |
Dixit, H.; Saniz, R.; Lamoen, D.; Partoens, B. |
| Title |
Accurate pseudopotential description of the GW bandstructure of ZnO |
Type |
A1 Journal article |
| Year |
2011 |
Publication |
Computer physics communications |
Abbreviated Journal |
Comput Phys Commun |
| Volume |
182 |
Issue |
9 |
Pages |
2029-2031 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
| Abstract |
We present the GW band structure of ZnO in its wurtzite (WZ), zincblende (ZB) and rocksalt (RS) phases at the Γ point, calculated within the GW approximation. We have used a Zn20+ pseudopotential which is essential for the adequate treatment of the exchange interaction in the self-energy. The accuracy of the pseudopotential used is also discussed. The effect of the pd hybridization on the GW corrections to the band gap is correlated by comparing the ZB and RS phase. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
Amsterdam |
Editor |
|
| Language |
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Wos |
000292675100062 |
Publication Date |
2011-02-17 |
| Series Editor |
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Series Title |
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Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
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Edition |
|
| ISSN |
0010-4655; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.936 |
Times cited |
18 |
Open Access |
|
| Notes |
; ; |
Approved |
Most recent IF: 3.936; 2011 IF: 3.268 |
| Call Number |
UA @ lucian @ c:irua:90761 |
Serial |
51 |
| Permanent link to this record |
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| Author |
Roelandts, T.; Batenburg, K.J.; Biermans, E.; Kübel, C.; Bals, S.; Sijbers, J. |
| Title |
Accurate segmentation of dense nanoparticles by partially discrete electron tomography |
Type |
A1 Journal article |
| Year |
2012 |
Publication |
Ultramicroscopy |
Abbreviated Journal |
Ultramicroscopy |
| Volume |
114 |
Issue |
|
Pages |
96-105 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab |
| Abstract |
Accurate segmentation of nanoparticles within various matrix materials is a difficult problem in electron tomography. Due to artifacts related to image series acquisition and reconstruction, global thresholding of reconstructions computed by established algorithms, such as weighted backprojection or SIRT, may result in unreliable and subjective segmentations. In this paper, we introduce the Partially Discrete Algebraic Reconstruction Technique (PDART) for computing accurate segmentations of dense nanoparticles of constant composition. The particles are segmented directly by the reconstruction algorithm, while the surrounding regions are reconstructed using continuously varying gray levels. As no properties are assumed for the other compositions of the sample, the technique can be applied to any sample where dense nanoparticles must be segmented, regardless of the surrounding compositions. For both experimental and simulated data, it is shown that PDART yields significantly more accurate segmentations than those obtained by optimal global thresholding of the SIRT reconstruction. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
Amsterdam |
Editor |
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| Language |
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Wos |
000301954300011 |
Publication Date |
2012-01-06 |
| Series Editor |
|
Series Title |
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Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0304-3991; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.843 |
Times cited |
34 |
Open Access |
|
| Notes |
Fwo |
Approved |
Most recent IF: 2.843; 2012 IF: 2.470 |
| Call Number |
UA @ lucian @ c:irua:97710 |
Serial |
52 |
| Permanent link to this record |
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| |
| Author |
Burgin, J.; Langot, P.; Arbouet, A.; Margueritat, J.; Gonzalo, J.; Afonso, C.N.; Vallee, F.; Mlayah, A.; Rossell, M.D.; Van Tendeloo, G. |
| Title |
Acoustic vibration modes and electron-lattice coupling in self-assembled silver nanocolumns |
Type |
A1 Journal article |
| Year |
2008 |
Publication |
Nano letters |
Abbreviated Journal |
Nano Lett |
| Volume |
8 |
Issue |
5 |
Pages |
1296-1302 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
|
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
Washington |
Editor |
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| Language |
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Wos |
000255906400006 |
Publication Date |
2008-04-01 |
| Series Editor |
|
Series Title |
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Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1530-6984;1530-6992; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
12.712 |
Times cited |
30 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 12.712; 2008 IF: 10.371 |
| Call Number |
UA @ lucian @ c:irua:69135 |
Serial |
53 |
| Permanent link to this record |
