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Author |
Ruelle, B.; Felten, A.; Ghijsen, J.; Drube, W.; Johnson, R.L.; Liang, D.; Erni, R.; Van Tendeloo, G.; Dubois, P.; Hecq, M.; Bittencourt, C.; |
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Title |
Functionalization of MWCNTs with atomic nitrogen : electronic structure |
Type |
A1 Journal article |
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Year |
2008 |
Publication |
Journal of physics: D: applied physics |
Abbreviated Journal |
J Phys D Appl Phys |
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Volume |
41 |
Issue |
4 |
Pages |
045202-45204 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
The changes induced by exposing multi-walled carbon nanotubes (CNTs) to atomic nitrogen were analysed by high-resolution transmission electron microscopy (HRTEM), x-ray and ultraviolet photoelectron spectroscopy. It was found that the atomic nitrogen generated by a microwave plasma effectively grafts chemical groups onto the CNT surface altering the density of valence electronic states. HRTEM showed that the exposure to atomic nitrogen does not significantly damage the CNT surface. |
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Place of Publication |
London |
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Language |
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Wos |
000253177900018 |
Publication Date |
2008-01-29 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0022-3727;1361-6463; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.588 |
Times cited |
16 |
Open Access |
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Notes |
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Approved |
Most recent IF: 2.588; 2008 IF: 2.104 |
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Call Number |
UA @ lucian @ c:irua:102633 |
Serial |
1306 |
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Permanent link to this record |
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Author |
Boschker, H.; Huijben, M.; Vailinois, A.; Verbeeck, J.; Van Aert, S.; Luysberg, M.; Bals, S.; Van Tendeloo, G.; Houwman, E.P.; Koster, G.; Blank, D.H.A.; Rijnders, G. |
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Title |
Optimized fabrication of high-quality La0.67Sr0.33MnO3 thin films considering all essential characteristics |
Type |
A1 Journal article |
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Year |
2011 |
Publication |
Journal of physics: D: applied physics |
Abbreviated Journal |
J Phys D Appl Phys |
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Volume |
44 |
Issue |
20 |
Pages |
205001-205001,9 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
In this paper, an overview of the fabrication and properties of high-quality La0.67Sr0.33MnO3 (LSMO) thin films is given. A high-quality LSMO film combines a smooth surface morphology with a large magnetization and a small residual resistivity, while avoiding precipitates and surface segregation. In the literature, typically only a few of these issues are adressed. We therefore present a thorough characterization of our films, which were grown by pulsed laser deposition. The films were characterized with reflection high energy electron diffraction, atomic force microscopy, x-ray diffraction, magnetization and transport measurements, x-ray photoelectron spectroscopy and scanning transmission electron microscopy. The films have a saturation magnetization of 4.0 µB/Mn, a Curie temperature of 350 K and a residual resistivity of 60 µΩ cm. These results indicate that high-quality films, combining both large magnetization and small residual resistivity, were realized. A comparison between different samples presented in the literature shows that focussing on a single property is insufficient for the optimization of the deposition process. For high-quality films, all properties have to be adressed. For LSMO devices, the thin-film quality is crucial for the device performance. Therefore, this research is important for the application of LSMO in devices. |
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Corporate Author |
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Place of Publication |
London |
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Wos |
000290150900001 |
Publication Date |
2011-04-29 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0022-3727;1361-6463; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.588 |
Times cited |
99 |
Open Access |
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Notes |
This research was financially supported by the Dutch Science Foundation, by NanoNed, a nanotechnology program of the Dutch Ministry of Economic Affairs, and by the NanOxide program of the European Science Foundation. This work is supported in part by the Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering, under contract DE-AC02-76SF00515. |
Approved |
Most recent IF: 2.588; 2011 IF: 2.544 |
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Call Number |
UA @ lucian @ c:irua:89557UA @ admin @ c:irua:89557 |
Serial |
2491 |
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Permanent link to this record |
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Author |
Rubino, S.; Schattschneider, P.; Rusz, J.; Verbeeck, J.; Leifer, K. |
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Title |
Simulation of magnetic circular dichroism in the electron microscope |
Type |
A1 Journal article |
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Year |
2010 |
Publication |
Journal of physics: D: applied physics |
Abbreviated Journal |
J Phys D Appl Phys |
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Volume |
43 |
Issue |
47 |
Pages |
474005,1-474005,11 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
As electron energy-loss spectroscopy (EELS) and x-ray absorption spectroscopy (XAS) probe the same transitions from coreshell states to unoccupied states above the Fermi energy, it should always be possible to apply the two techniques to the same physical phenomena, such as magnetic dichroism, and obtain the same information. Indeed, the similarity in the expression of the electron and x-ray cross-sections had been already exploited to prove the equivalence of x-ray magnetic linear dichroism and anisotropy in EELS, by noting that the polarization vector of a photon plays the same role as the momentum transfer in electron scattering. Recently, the same was proven true for x-ray magnetic circular dichroism (XMCD) by establishing a new TEM technique called EMCD (electron energy-loss magnetic chiral dichroism) (Schattschneider P et al 2006 Nature 441 4868), which makes use of special electron scattering conditions to force the absorption of a circularly polarized virtual photon. The intrinsic advantage of EMCD over XMCD is the high spatial resolution of electron microscopes, which are readily available. Among the particular obstacles in EMCD that do not exist for synchrotron radiation, is the notoriously low signal and the very particular scattering conditions necessary to observe a chiral dichroic signal. In spite of that, impressive progress has been made in recent years. The signal strength could be considerably increased, and some innovations such as using a convergent beam have been introduced. EMCD has evolved into several techniques, which make full use of the versatility of the TEM and energy filtering, spectroscopy or STEM conditions (Rubino S 2007 Magnetic circular dichroism in the transmission electron microscope PhD Thesis Vienna University of Technology, Vienna, Austria). |
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Place of Publication |
London |
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Wos |
000284099700006 |
Publication Date |
2010-11-12 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0022-3727;1361-6463; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.588 |
Times cited |
13 |
Open Access |
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Notes |
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Approved |
Most recent IF: 2.588; 2010 IF: 2.109 |
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Call Number |
UA @ lucian @ c:irua:85808UA @ admin @ c:irua:85808 |
Serial |
3012 |
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Permanent link to this record |
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Author |
Buffière, M.; Brammertz, G.; Oueslati, S.; El Anzeery, H.; Bekaert, J.; Ben Messaoud, K.; Köble, C.; Khelifi, S.; Meuris, M.; Poortmans, J. |
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Title |
Spectral current-voltage analysis of kesterite solar cells |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
Journal Of Physics D-Applied Physics |
Abbreviated Journal |
J Phys D Appl Phys |
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Volume |
47 |
Issue |
17 |
Pages |
175101-175105 |
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Keywords |
A1 Journal article; Electron Microscopy for Materials Science (EMAT); |
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Abstract |
Current-voltage analysis using different optical band pass filters has been performed on Cu2ZnSnSe4 and Cu2ZnSn(S, Se)(4) thin-film solar cells. When using red or orange light (i.e. wavelengths above 600 nm), a distortion appears in the I-V curve of the Cu2ZnSnSe4 solar cell, indicating an additional potential barrier to the current flow in the device for these conditions of illumination. This barrier is reduced when using a Cu2ZnSn(S, Se)(4) absorber. Numerical simulations demonstrate that the barrier visible under red light could be explained by a positive conduction band offset at the front interface coupled with compensating defects in the buffer layer. |
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Corporate Author |
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Thesis |
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Place of Publication |
London |
Editor |
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Language |
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Wos |
000334504800003 |
Publication Date |
2014-04-10 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0022-3727;1361-6463; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.588 |
Times cited |
25 |
Open Access |
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Notes |
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Approved |
Most recent IF: 2.588; 2014 IF: 2.721 |
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Call Number |
UA @ lucian @ c:irua:117170 |
Serial |
3070 |
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Permanent link to this record |
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Author |
Georgieva, V.; Saraiva, M.; Jehanathan, N.; Lebelev, O.I.; Depla, D.; Bogaerts, A. |
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Title |
Sputter-deposited Mg-Al-O thin films: linking molecular dynamics simulations to experiments |
Type |
A1 Journal article |
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Year |
2009 |
Publication |
Journal of physics: D: applied physics |
Abbreviated Journal |
J Phys D Appl Phys |
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Volume |
42 |
Issue |
6 |
Pages |
065107,1-065107,8 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Using a molecular dynamics model the crystallinity of MgxAlyOz thin films with a variation in the stoichiometry of the thin film is studied at operating conditions similar to the experimental operating conditions of a dual magnetron sputter deposition system. The films are deposited on a crystalline or amorphous substrate. The Mg metal content in the film ranged from 100% (i.e. MgO film) to 0% (i.e. Al2O3 film). The radial distribution function and density of the films are calculated. The results are compared with x-ray diffraction and transmission electron microscopy analyses of experimentally deposited thin films by the dual magnetron reactive sputtering process. Both simulation and experimental results show that the structure of the MgAlO film varies from crystalline to amorphous when the Mg concentration decreases. It seems that the crystalline MgAlO films have a MgO structure with Al atoms in between. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
London |
Editor |
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Language |
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Wos |
000263824200024 |
Publication Date |
2009-03-03 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0022-3727;1361-6463; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.588 |
Times cited |
37 |
Open Access |
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Notes |
Iwt |
Approved |
Most recent IF: 2.588; 2009 IF: 2.083 |
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Call Number |
UA @ lucian @ c:irua:73246 |
Serial |
3110 |
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Permanent link to this record |
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Author |
Ghica, C.; Nistor, L.C.; Bender, H.; Richard, O.; Van Tendeloo, G.; Ulyashin, A. |
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Title |
TEM characterization of extended defects induced in Si wafers by H-plasma treatment |
Type |
A1 Journal article |
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Year |
2007 |
Publication |
Journal of physics: D: applied physics |
Abbreviated Journal |
J Phys D Appl Phys |
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Volume |
40 |
Issue |
2 |
Pages |
395-400 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
London |
Editor |
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Language |
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Wos |
000243725800017 |
Publication Date |
2007-01-06 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0022-3727;1361-6463; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.588 |
Times cited |
10 |
Open Access |
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Notes |
Bil 01/73 |
Approved |
Most recent IF: 2.588; 2007 IF: 2.200 |
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Call Number |
UA @ lucian @ c:irua:62601 |
Serial |
3476 |
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Permanent link to this record |
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Author |
Wang, H.; Cuppens, J.; Biermans, E.; Bals, S.; Fernandez-Ballester, L.; Kvashnina, K.O.; Bras, W.; van Bael, M.J.; Temst, K.; Vantomme, A. |
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Title |
Tuning of the size and the lattice parameter of ion-beam synthesized Pb nanoparticles embedded in Si |
Type |
A1 Journal article |
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Year |
2012 |
Publication |
Journal of physics: D: applied physics |
Abbreviated Journal |
J Phys D Appl Phys |
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Volume |
45 |
Issue |
3 |
Pages |
035301-035301,7 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
The size and lattice constant evolution of Pb nanoparticles (NPs) synthesized by high fluence implantation in crystalline Si have been studied with a variety of experimental techniques. Results obtained from small-angle x-ray scattering showed that the Pb NPs grow with increasing implantation fluence and annealing duration. The theory of NP growth kinetics can be applied to qualitatively explain the size evolution of the Pb NPs during the implantation and annealing processes. Moreover, the lattice constant of the Pb NPs was evaluated by conventional x-ray diffraction. The lattice dilatation was observed to decrease with increasing size of the Pb NPs. Such lattice constant tuning can be attributed to the pseudomorphism caused by the lattice mismatch between the Pb NPs and the Si matrix. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
London |
Editor |
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Language |
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Wos |
000299308400008 |
Publication Date |
2011-12-23 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0022-3727;1361-6463; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.588 |
Times cited |
5 |
Open Access |
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Notes |
Fwo; Iap |
Approved |
Most recent IF: 2.588; 2012 IF: 2.528 |
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Call Number |
UA @ lucian @ c:irua:94208 |
Serial |
3754 |
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Permanent link to this record |
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Author |
Kozák, T.; Vlček, J. |
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Title |
A parametric model for reactive high-power impulse magnetron sputtering of films |
Type |
A1 Journal article |
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Year |
2016 |
Publication |
Journal Of Physics D-Applied Physics |
Abbreviated Journal |
J Phys D Appl Phys |
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Volume |
49 |
Issue |
49 |
Pages |
055202 |
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Keywords |
A1 Journal article; Electron Microscopy for Materials Science (EMAT); |
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Abstract |
We present a time-dependent parametric model for reactive HiPIMS deposition of films. Specific features of HiPIMS discharges and a possible increase in the density of the reactive gas in front of the reactive gas inlets placed between the target and the substrate are considered in the model. The model makes it possible to calculate the compound fractions in two target layers and in one substrate layer, and the deposition rate of films at fixed partial pressures of the reactive and inert gas. A simplified relation for the deposition rate of films prepared using a reactive HiPIMS is presented. We used the model to simulate controlled reactive HiPIMS depositions of stoichiometric ZrO2 films, which were recently carried out in our laboratories with two different configurations of the O2 inlets in front of the sputtered target. The repetition frequency was 500 Hz at the deposition-averaged target power densities of 5 Wcm−2 and 50 Wcm−2 with a pulse-averaged target power density up to 2 kWcm−2. The pulse durations were 50 μs and 200 μs. Our model calculations show that the to-substrate O2 inlet provides systematically lower compound fractions in the target surface layer and higher compound fractions in the substrate surface layer, compared with the to-target O2 inlet. The low compound fractions in the target surface layer (being approximately 10% at the depositionaveraged target power density of 50 Wcm−2 and the pulse duration of 200 μs) result in high deposition rates of the films produced, which are in agreement with experimental values. |
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Corporate Author |
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Thesis |
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Place of Publication |
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Wos |
000368944100016 |
Publication Date |
2015-12-16 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0022-3727 |
ISBN |
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Additional Links |
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Impact Factor |
2.588 |
Times cited |
25 |
Open Access |
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Notes |
This work was supported by the Czech Science Foundation under Project No. GA14–03875S |
Approved |
Most recent IF: 2.588 |
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Call Number |
PLASMANT @ plasmant @ |
Serial |
3994 |
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Permanent link to this record |
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Author |
O'Donnell, D.; Hassan, S.; Du, Y.; Gauquelin, N.; Krishnan, D.; Verbeeck, J.; Fan, R.; Steadman, P.; Bencok, P.; Dobrynin, A.N. |
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Title |
Etching induced formation of interfacial FeMn in IrMn/CoFe bilayers |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Journal of physics: D: applied physics |
Abbreviated Journal |
J Phys D Appl Phys |
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Volume |
52 |
Issue |
16 |
Pages |
165002 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
The effect of ion etching on exchange bias in IrMn3/Co70Fe30 bilayers is investigated. In spite of the reduction of saturation magnetization caused by the embedding of Tr from the capping layer into the Co70Fe30 layer during the etching process, the exchange bias in samples with the same thickness of the Co70Fe30 layer is reducing in proportion to the etching power. X-ray magnetic circular dichroism measurements revealed the emergence of an uncompensated Mn magnetization after etching, which is antiferromagnetically coupled to the ferromagnetic layer. This suggests etching induced formation of small interfacial FeMn regions which leads to the decrease of effective exchange coupling between ferromagnetic and antiferromagnetic layers. |
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Corporate Author |
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Thesis |
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Place of Publication |
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Language |
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Wos |
000458524800001 |
Publication Date |
2019-01-31 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0022-3727 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
2.588 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
; This work was supported by Seagate Technology (Ireland). Beamline I10, Diamond Light Source, is acknowledged for provided beamtime. ; |
Approved |
Most recent IF: 2.588 |
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Call Number |
UA @ admin @ c:irua:157458 |
Serial |
5247 |
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Permanent link to this record |
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Author |
Seo, J.W.; Schryvers, D. |
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Title |
Defect structures in CuZr martensite, studies by CTEM and HRTEM |
Type |
A1 Journal article |
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Year |
1997 |
Publication |
Journal de physique: 4 |
Abbreviated Journal |
J Phys Iv |
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Volume |
C5 |
Issue |
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Pages |
149-154 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Les Ulis |
Editor |
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Language |
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Wos |
000072520300024 |
Publication Date |
2007-07-11 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1155-4339; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
1 |
Open Access |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ lucian @ c:irua:21351 |
Serial |
623 |
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Permanent link to this record |
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Author |
Schryvers, D.; Potapov, P. |
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Title |
Electron diffraction refinement of the TiNi(Fe) R-phase structure |
Type |
A1 Journal article |
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Year |
2003 |
Publication |
Journal de physique |
Abbreviated Journal |
J Phys Iv |
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Volume |
112 |
Issue |
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Pages |
751-754 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Paris |
Editor |
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Language |
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Wos |
000186503400030 |
Publication Date |
2008-08-19 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1155-4339; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
7 |
Open Access |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ lucian @ c:irua:48389 |
Serial |
922 |
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Permanent link to this record |
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Author |
Schryvers, D. |
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Title |
Electron microscopy studies of martensite microstructures |
Type |
A1 Journal article |
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Year |
1997 |
Publication |
Journal de physique: 4 |
Abbreviated Journal |
J Phys Iv |
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Volume |
C5 |
Issue |
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Pages |
109-118 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Les Ulis |
Editor |
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Language |
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Wos |
000072520300018 |
Publication Date |
2007-07-11 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1155-4339; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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|
Impact Factor |
|
Times cited |
2 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: NA |
|
|
Call Number |
UA @ lucian @ c:irua:21348 |
Serial |
968 |
|
Permanent link to this record |
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|
|
|
Author |
Lexcellent, C.; Vivet, A.; Bouvet, C.; Blanc, P.; Satto, C.; Schryvers, D. |
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|
Title |
From the lattice measurements of the austenite and the martensite cells to the macroscopic mechanical behavior of shape memory alloys |
Type |
A1 Journal article |
|
Year |
2001 |
Publication |
Journal de physique: 4 |
Abbreviated Journal |
J Phys Iv |
|
|
Volume |
11 |
Issue |
5 |
Pages |
317-324 |
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|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Les Ulis |
Editor |
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Language |
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Wos |
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Publication Date |
0000-00-00 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
1155-4339 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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|
Impact Factor |
|
Times cited |
|
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: NA |
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|
Call Number |
UA @ lucian @ c:irua:48388 |
Serial |
1288 |
|
Permanent link to this record |
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|
|
Author |
Schryvers, D.; Yandouzi, M.; Holland-Moritz, D.; Toth, L. |
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Title |
HRTEM study of austenite and martensite in splat-cooled and nanoscale thin film Ni-Al |
Type |
A1 Journal article |
|
Year |
1997 |
Publication |
Journal de physique: 4 |
Abbreviated Journal |
J Phys Iv |
|
|
Volume |
C5 |
Issue |
|
Pages |
203-208 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Les Ulis |
Editor |
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Language |
|
Wos |
000072520300033 |
Publication Date |
2007-07-11 |
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Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
1155-4339; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
|
Times cited |
2 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: NA |
|
|
Call Number |
UA @ lucian @ c:irua:21350 |
Serial |
1517 |
|
Permanent link to this record |
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Author |
Schryvers, D.; Boullay, P.; Kohn, R.; Ball, J. |
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|
Title |
Lattice deformations at martensite-martensite interfaces in Ni-Al |
Type |
A1 Journal article |
|
Year |
2001 |
Publication |
Journal de physique: 4 |
Abbreviated Journal |
J Phys Iv |
|
|
Volume |
11 |
Issue |
|
Pages |
23-30 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
|
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|
Address |
|
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Corporate Author |
|
Thesis |
|
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Publisher |
|
Place of Publication |
Les Ulis |
Editor |
|
|
|
Language |
|
Wos |
000173253800005 |
Publication Date |
2007-09-14 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
1155-4339; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
|
Times cited |
9 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: NA |
|
|
Call Number |
UA @ lucian @ c:irua:48385 |
Serial |
1800 |
|
Permanent link to this record |
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|
|
Author |
Somsen, C.; Kästner, J.; Wassermann, E.F.; Boullay, P.; Schryvers, D. |
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|
Title |
Microstructure of quenched Ni-rich Ni-Ti shape memory alloys |
Type |
A1 Journal article |
|
Year |
2001 |
Publication |
Journal de physique: 4
T2 – 8th European Symposium on Martensitic Transformations (ESOMAT2000), SEP 04-08, 2000, COMO, ITALY |
Abbreviated Journal |
J Phys Iv |
|
|
Volume |
11 |
Issue |
Pr8 |
Pages |
445-449 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
Microstructural investigations with transmission electron microscopy were carried out on quenched Ni-Ti alloys with 52 and 54.5 at% Ni. For the Ni52Ti48 specimen long time exposed diffraction patterns of a single grain show besides the expected reflections of the B2-phase, two sets of extra reflections in different zones. The first type of spots is explained by lattice displacement waves, which are regarded as precursors of the martensitic Ni-Ti phases, B 19' and R-phase, respectively. The second set of reflection with more diffuse intensity than the other reflections is related to Ni4Ti3 precipitates in an early state of formation. For the Ni-richer Ni54.5Ti45.5 alloy only Ni4Ti3 precipitates in an early state of formation are found but no precursors of the B 19'- and R-phase. |
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Address |
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Corporate Author |
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Thesis |
|
|
|
Publisher |
E d p sciences |
Place of Publication |
Les ulis cedexa |
Editor |
|
|
|
Language |
|
Wos |
000173253800075 |
Publication Date |
2007-09-14 |
|
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Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
1155-4339; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
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Impact Factor |
|
Times cited |
2 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: NA |
|
|
Call Number |
UA @ lucian @ c:irua:104187 |
Serial |
2073 |
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Permanent link to this record |
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Author |
Potapov, P.; Ochin, P.; Pons, J.; Schryvers, D. |
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|
Title |
Nanoscale inhomogeneities in melt-spun Ni-Al |
Type |
A1 Journal article |
|
Year |
2001 |
Publication |
Journal de physique: 4 |
Abbreviated Journal |
J Phys Iv |
|
|
Volume |
11 |
Issue |
|
Pages |
439-444 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
|
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Address |
|
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Corporate Author |
|
Thesis |
|
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Publisher |
|
Place of Publication |
Les Ulis |
Editor |
|
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Language |
|
Wos |
000173253800074 |
Publication Date |
2007-09-14 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
1155-4339; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
|
Times cited |
1 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: NA |
|
|
Call Number |
UA @ lucian @ c:irua:48387 |
Serial |
2264 |
|
Permanent link to this record |
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|
Author |
Somsen, C.; Wassermann, E.F.; Kästner, J.; Schryvers, D. |
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|
Title |
Precursor phenomena in a quenched and aged Ni52Ti48 shape memory alloy |
Type |
A1 Journal article |
|
Year |
2003 |
Publication |
Journal de physique: 4
T2 – 10th International Conference on Martensitic Transformations, JUN 10-14, 2002, ESPOO, FINLAND |
Abbreviated Journal |
J Phys Iv |
|
|
Volume |
112 |
Issue |
Part 2 |
Pages |
777-780 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
We measured the electrical resistivity R(T) and specific heat C-p(T) between room temperature (RT) and 4.2 K as well as the microstructure by transmission electron microscopy (TEM) of a Ni-52 Ti-48 SMA quenched from 1000degreesC (B2-Phase range) to RT and then annealed for 1h at T=380degreesC, 550degreesC and 650degreesC. In the “as quenched” and the “650degreesC annealed” state no martensitic transformations (MT's) occur. The diffraction patterns show faint reflections originating from coherent Ni4Ti3 precipitates in an early state of formation. Additional reflections of the type 1/2 <110>, 1/2 <111> and 1/3 <110> result from various lattice displacement waves, which are precursors of the MT's to the B19' and R-phase, respectively. Indeed, high resolution TEM micrographs of the [001] zone of the “as quenched” sample reveal transverse 1/2 <110> <110> lattice displacement waves, precursors of the B19' martensite. The coherent Ni4Ti3 precipitates, homogeneously distributed on a small length scale, binder the MT's in the “as quenched” and the “650degreesC annealed” state, and thus only the precursors appear. When annealed at T=380degreesC, however, coherent Ni4Ti3 precipitates with a length of 10nm are clearly visible in TEM. These precipitates trigger the NIT from the B2 to the R-phase on cooling, as evidenced also by anomalies in R(T) and C-p(T). Annealing at T-550degreesC leads to the well known two step MT's from the B2 to the R-phase and then into the B19'-phase. These martensitic transitions are clearly seen as additional peaks in the specific heat and anomalies in the resistance, while the “as quenched” and 650degreesC annealed samples show weak features in R(T) and C-p(T). |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Les Ulis |
Editor |
|
|
|
Language |
|
Wos |
000186503400036 |
Publication Date |
2008-08-19 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
1155-4339; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
|
Times cited |
2 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: NA |
|
|
Call Number |
UA @ lucian @ c:irua:102791 |
Serial |
2694 |
|
Permanent link to this record |
|
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|
|
Author |
Schryvers, D.; Potapov, P.; Ledda, A.; Shelyakov, A. |
|
|
Title |
Structural characterisation of melt-spun Ti-Ni-Cu-ribbons |
Type |
A1 Journal article |
|
Year |
2001 |
Publication |
Journal de physique: 4 |
Abbreviated Journal |
J Phys Iv |
|
|
Volume |
11 |
Issue |
|
Pages |
363-368 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
|
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|
Address |
|
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Corporate Author |
|
Thesis |
|
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Publisher |
|
Place of Publication |
Les Ulis |
Editor |
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|
|
Language |
|
Wos |
000173253800062 |
Publication Date |
2007-09-14 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
1155-4339; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
|
Times cited |
1 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: NA |
|
|
Call Number |
UA @ lucian @ c:irua:48386 |
Serial |
3214 |
|
Permanent link to this record |
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Author |
Ball, J.M.; Schryvers, D. |
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Title |
The analysis of macrotwins in NiAl martensite |
Type |
A1 Journal article |
|
Year |
2003 |
Publication |
Journal de physique: 4
T2 – 10th International Conference on Martensitic Transformations, JUN 10-14, 2002, ESPOO, FINLAND |
Abbreviated Journal |
J Phys Iv |
|
|
Volume |
112 |
Issue |
Part 1 |
Pages |
159-162 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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|
Abstract |
We present a theoretical study of macrotwins arising in cubic to tetragonal martensitic transformations. The results help to explain some features of such macrotwins observed in Ni65Al35. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Les Ulis |
Editor |
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Language |
|
Wos |
000186503200024 |
Publication Date |
2008-08-19 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
|
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ISSN |
1155-4339; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
|
Times cited |
11 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: NA |
|
|
Call Number |
UA @ lucian @ c:irua:103275 |
Serial |
3569 |
|
Permanent link to this record |
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|
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Author |
Titantah, J.T.; Lamoen, D.; Neyts, E.; Bogaerts, A. |
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Title |
The effect of hydrogen on the electronic and bonding properties of amorphous carbon |
Type |
A1 Journal article |
|
Year |
2006 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
J Phys-Condens Mat |
|
|
Volume |
18 |
Issue |
48 |
Pages |
10803-10815 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
London |
Editor |
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Language |
|
Wos |
000242650600008 |
Publication Date |
2006-11-18 |
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Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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|
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 |
13 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 2.649; 2006 IF: 2.038 |
|
|
Call Number |
UA @ lucian @ c:irua:60468 |
Serial |
816 |
|
Permanent link to this record |
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Author |
Titantah, J.T.; Lamoen, D. |
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Title |
The effect of temperature on the structural, electronic and optical properties of sp3-rich amorphous carbon |
Type |
A1 Journal article |
|
Year |
2008 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
J Phys-Condens Mat |
|
|
Volume |
20 |
Issue |
3 |
Pages |
035216,1-6 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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|
Abstract |
The effect of temperature on the structural, electronic and optical properties of dense tetrahedral amorphous carbon made of similar to 80% sp(3)-bonded atoms is investigated using a combination of the classical Monte Carlo technique and density functional theory. A structural transformation accompanied by a slight decrease of the sp(3) fraction is evidenced above a temperature of about 600 degrees C. A structural analysis in combination with energy-loss near-edge structure calculations shows that beyond this temperature, the sp(2)-bonded C sites arrange themselves so as to enhance the conjugation of the p electrons. The Tauc optical band gap deduced from the calculated dielectric function shows major changes beyond this temperature in accordance with experimental results. Energy-loss near-edge structure and band gap calculations additionally reveal a massive destabilization of the of sp(3) bonding phase in favour of sp(2) bonding at a temperature of about 1300 degrees C which agrees very well with the reported value of 1100 degrees C. |
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Address |
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Corporate Author |
|
Thesis |
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Publisher |
|
Place of Publication |
London |
Editor |
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Language |
|
Wos |
000252922900026 |
Publication Date |
2007-12-28 |
|
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Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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|
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 |
11 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 2.649; 2008 IF: 1.900 |
|
|
Call Number |
UA @ lucian @ c:irua:67461 |
Serial |
840 |
|
Permanent link to this record |
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Author |
Dixit, H.; Saniz, R.; Cottenier, S.; Lamoen, D.; Partoens, B. |
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Title |
Electronic structure of transparent oxides with the Tran-Blaha modified Becke-Johnson potential |
Type |
A1 Journal article |
|
Year |
2012 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
J Phys-Condens Mat |
|
|
Volume |
24 |
Issue |
20 |
Pages |
205503-205503,9 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
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|
Abstract |
We present electronic band structures of transparent oxides calculated using the Tran-Blaha modified Becke-Johnson (TB-mBJ) potential. We studied the basic n-type conducting binary oxides In2O3, ZnO, CdO and SnO2 along with the p-type conducting ternary oxides delafossite CuXO2 (X = Al, Ga, In) and spinel ZnX2O4 (X = Co, Rh, Ir). The results are presented for calculated band gaps and effective electron masses. We discuss the improvements in the band gap determination using TB-mBJ compared to the standard generalized gradient approximation (GGA) in density functional theory (DFT) and also compare the electronic band structure with available results from the quasiparticle GW method. It is shown that the calculated band gaps compare well with the experimental and GW results, although the electron effective mass is generally overestimated. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
London |
Editor |
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Language |
|
Wos |
000303507100009 |
Publication Date |
2012-04-27 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
|
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ISSN |
0953-8984;1361-648X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
2.649 |
Times cited |
113 |
Open Access |
|
|
|
Notes |
Iwt; Fwo |
Approved |
Most recent IF: 2.649; 2012 IF: 2.355 |
|
|
Call Number |
UA @ lucian @ c:irua:98222 |
Serial |
1017 |
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Permanent link to this record |
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Author |
Singh, K.; Maignan, A.; Simon, C.; Kumar, S.; Martin, C.; Lebedev, O.; Turner, S.; Van Tendeloo, G. |
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Title |
Magnetodielectric CuCr0.5V0.5O2 : an example of a magnetic and dielectric multiglass |
Type |
A1 Journal article |
|
Year |
2012 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
J Phys-Condens Mat |
|
|
Volume |
24 |
Issue |
22 |
Pages |
226002-226002,4 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
The complex dielectric susceptibility and spin glass properties of polycrystalline CuCr0.5V 0.5O2 delafossite have been investigated. Electron diffraction, high resolution electron microscopy and electron energy loss spectroscopy show that the Cr3+ and V 3+ magnetic cations are randomly distributed on the triangular network of CdI2-type layers. In contrast to CuCrO2, CuCr0.5V 0.5O2 exhibits two distinctive (magnetic and electric) glassy states evidenced by memory effects in electric and magnetic susceptibilities. A large magnetodielectric coupling is observed at low temperature. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
London |
Editor |
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Language |
|
Wos |
000304873300027 |
Publication Date |
2012-05-02 |
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Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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|
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 |
19 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 2.649; 2012 IF: 2.355 |
|
|
Call Number |
UA @ lucian @ c:irua:98380 |
Serial |
1916 |
|
Permanent link to this record |
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|
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Author |
Zhang, H.; Salje, E.K.H.; Schryvers, D.; Bartova, B. |
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|
Title |
The martensitic phase transition in Ni-Al: experimental observation of excess entropy and heterogeneous spontaneous strain |
Type |
A1 Journal article |
|
Year |
2008 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
J Phys-Condens Mat |
|
|
Volume |
20 |
Issue |
5 |
Pages |
055220,1-7 |
|
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
London |
Editor |
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Language |
|
Wos |
000252923400023 |
Publication Date |
2008-01-19 |
|
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0953-8984;1361-648X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.649 |
Times cited |
7 |
Open Access |
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Notes |
Multimat (MRTN-CT-2004-505226) |
Approved |
Most recent IF: 2.649; 2008 IF: 1.900 |
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Call Number |
UA @ lucian @ c:irua:67710 |
Serial |
1948 |
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Permanent link to this record |
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Author |
Nistor, L.C.; Nistor, S.V.; Dinca, G.; Georgeoni, P.; van Landuyt, J.; Manfredotti, C.; Vittone, E. |
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Title |
Microstructure and spectroscopy studies on cubic boron nitride synthesized under high-pressure conditions |
Type |
A1 Journal article |
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Year |
2002 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
J Phys-Condens Mat |
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Volume |
14 |
Issue |
44 |
Pages |
10983-10988 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
High-resolution electron microscopy (HREM) studies of the microstructure and specific defects in hexagonal boron nitride (h-BN) precursors and cubic boron nitride (c-BN) crystals made under high-pressure high-temperature conditions revealed the presence of half-nanotubes at the edges of the h-BN particles. Their sp(3) bonding tendency could strongly influence the nucleation rates of c-BN. The atomic resolution at extended dislocations was insufficient to allow us to determine the stacking fault energy in the c-BN crystals. Its mean value of 191 +/- 15 mJ m(-2) is of the same order of magnitude as that of diamond. High-frequency (94 GHz) electron paramagnetic resonance studies on c-BN single crystals have produced new data on the D1 centres associated with the boron species. Ion-beam-induced luminescence measurements have indicated that c-BN is a very interesting luminescent material, which is characterized by four luminescence bands and exhibits a better resistance to ionizing radiation than CVD diamond. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
London |
Editor |
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Language |
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Wos |
000179541700114 |
Publication Date |
2002-10-26 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0953-8984; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.649 |
Times cited |
7 |
Open Access |
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Notes |
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Approved |
Most recent IF: 2.649; 2002 IF: 1.775 |
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Call Number |
UA @ lucian @ c:irua:103328 |
Serial |
2061 |
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Permanent link to this record |
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Author |
Copley, J.R.D.; Michel, K.H. |
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Title |
Neutron and X-ray scattering cross sections of orientationally disordered solid C60 |
Type |
A1 Journal article |
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Year |
1993 |
Publication |
Journal Of Physics-Condensed Matter |
Abbreviated Journal |
J Phys-Condens Mat |
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Volume |
5 |
Issue |
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Pages |
4353-4370 |
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Keywords |
A1 Journal article; Electron Microscopy for Materials Science (EMAT); |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
London |
Editor |
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Language |
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Wos |
A1993LK74100008 |
Publication Date |
0000-00-00 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0953-8984 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.346 |
Times cited |
34 |
Open Access |
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Notes |
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Approved |
MATERIALS SCIENCE, MULTIDISCIPLINARY 96/271 Q2 # |
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Call Number |
UA @ lucian @ c:irua:5778 |
Serial |
2297 |
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Permanent link to this record |
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Author |
Simoen, E.; Loo, R.; Claeys, C.; de Gryse, O.; Clauws, P.; van Landuyt, J.; Lebedev, O. |
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Title |
Optical spectroscopy of oxygen precipitates in heavily doped p-type silicon |
Type |
A1 Journal article |
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Year |
2002 |
Publication |
Journal of physics : condensed matter
T2 – Conference on Extended Defects in Semiconductors (EDS 2002), JUN 01-06, 2002, BOLOGNA, ITALY |
Abbreviated Journal |
J Phys-Condens Mat |
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Volume |
14 |
Issue |
48 |
Pages |
13185-13193 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Results are presented on the photoluminescence (PL) characterization of heavily doped p(+) Czochralski silicon, which has been subjected to a two-step, oxygen precipitation heat treatment. It will be shown that the presence of oxygen precipitates gives rise to the D1, D2 and D5 lines, where the energy of the D1 line shifts to lower values for a stronger degree of precipitation. The occurrence of these PL features is also a function of the boron concentration in the p(+) material. The PL results are compared with Fourier transform infrared absorption data and with transmission electron microscope, results. From this, it is concluded that PL has a good potential for use in the assessment of oxygen precipitation in heavily doped silicon. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
London |
Editor |
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Language |
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Wos |
000180091100068 |
Publication Date |
2002-11-23 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0953-8984; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.649 |
Times cited |
3 |
Open Access |
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Notes |
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Approved |
Most recent IF: 2.649; 2002 IF: 1.775 |
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Call Number |
UA @ lucian @ c:irua:103326 |
Serial |
2477 |
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Permanent link to this record |
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Author |
Dabaghmanesh, S.; Saniz, R.; Amini, M.N.; Lamoen, D.; Partoens, B. |
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Title |
Perovskite transparent conducting oxides : an ab initio study |
Type |
A1 Journal article |
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Year |
2013 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
J Phys-Condens Mat |
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Volume |
25 |
Issue |
41 |
Pages |
415503 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
We present an ab initio study of the electronic structure and of the formation energies of various point defects in BaSnO3 and SrGeO3. We show that La and Y impurities substituting Ba or Sr are shallow donors with a preferred 1 + charge state. These defects have a low formation energy within all the suitable equilibrium growth conditions considered. Oxygen vacancies behave as shallow donors as well, preferring the 2 + charge state. Their formation energies, however, are higher in most growth conditions, indicating a limited contribution to conductivity. The calculated electron effective mass in BaSnO3, with a value of 0.21 me, and the very high mobility reported recently in La-doped BaSnO3 single-crystals, suggest that remarkably low scattering rates can be achieved in the latter. In the case of SrGeO3, our results point to carrier density and mobility values in the low range for typical polycrystalline TCOs, in line with experiment. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
London |
Editor |
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Language |
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Wos |
000324920400011 |
Publication Date |
2013-09-24 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0953-8984;1361-648X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.649 |
Times cited |
17 |
Open Access |
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Notes |
FWO;Hercules |
Approved |
Most recent IF: 2.649; 2013 IF: 2.223 |
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Call Number |
UA @ lucian @ c:irua:110495 |
Serial |
2574 |
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Permanent link to this record |
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Author |
Dixit, H.; Lamoen, D.; Partoens, B. |
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Title |
Quasiparticle band structure of rocksalt-CdO determined using maximally localized Wannier functions |
Type |
A1 Journal article |
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Year |
2013 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
J Phys-Condens Mat |
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Volume |
25 |
Issue |
3 |
Pages |
035501-35505 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
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Abstract |
CdO in the rocksalt structure is an indirect band gap semiconductor. Thus, in order to determine its band gap one needs to calculate the complete band structure. However, in practice, the exact evaluation of the quasiparticle band structure for the large number of k-points which constitute the different symmetry lines in the Brillouin zone can be an extremely demanding task compared to the standard density functional theory (DFT) calculation. In this paper we report the full quasiparticle band structure of CdO using a plane-wave pseudopotential approach. In order to reduce the computational effort and time, we make use of maximally localized Wannier functions (MLWFs). The MLWFs offer a highly accurate method for interpolation of the DFT or GW band structure from a coarse k-point mesh in the irreducible Brillouin zone, resulting in a much reduced computational effort. The present paper discusses the technical details of the scheme along with the results obtained for the quasiparticle band gap and the electron effective mass. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
London |
Editor |
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Language |
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Wos |
000313100500010 |
Publication Date |
2012-12-12 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0953-8984;1361-648X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
2.649 |
Times cited |
7 |
Open Access |
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Notes |
Fwo |
Approved |
Most recent IF: 2.649; 2013 IF: 2.223 |
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Call Number |
UA @ lucian @ c:irua:105296 |
Serial |
2801 |
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Permanent link to this record |