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Author  |
Leenaerts, O.; Partoens, B.; Peeters, F.M. |
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Title |
Adsorption of small molecules on graphene |
Type |
A1 Journal article |
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Year |
2009 |
Publication |
Microelectronics journal |
Abbreviated Journal |
Microelectron J |
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Volume |
40 |
Issue |
4/5 |
Pages |
860-862 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We investigate the adsorption process of small molecules on graphene through first-principles calculations and show the presence of two main charge transfer mechanisms. Which mechanism is the dominant one depends on the magnetic properties of the adsorbing molecules. We explain these mechanisms through the density of states of the system and the molecular orbitals of the adsorbates, and demonstrate the possible difficulties in calculating the charge transfer from first principles between a graphene sheet and a molecule. Our results are in good agreement with experiment. |
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Place of Publication |
Luton |
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Wos |
000265870200058 |
Publication Date |
2008-12-26 |
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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 |
0026-2692; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.163 |
Times cited |
116 |
Open Access |
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Notes |
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Approved |
Most recent IF: 1.163; 2009 IF: 0.778 |
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Call Number |
UA @ lucian @ c:irua:77030 |
Serial |
65 |
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Author |
Leenaerts, O.; Partoens, B.; Peeters, F.M. |
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Title |
Adsorption of H2O, NH3, CO, NO2, and NO on graphene: a first-principles study |
Type |
A1 Journal article |
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Year |
2008 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
77 |
Issue |
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Pages |
125416,1-6 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Motivated by the recent realization of graphene sensors to detect individual gas molecules, we investigate the adsorption of H2O, NH3, CO, NO2, and NO on a graphene substrate using first-principles calculations. The optimal adsorption position and orientation of these molecules on the graphene surface is determined and the adsorption energies are calculated. Molecular doping, i.e., charge transfer between the molecules and the graphene surface, is discussed in light of the density of states and the molecular orbitals of the adsorbates. The efficiency of doping of the different molecules is determined and the influence of their magnetic moment is discussed. |
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Place of Publication |
Lancaster, Pa |
Editor |
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Language |
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Wos |
000254543000133 |
Publication Date |
2008-03-18 |
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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 |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
1392 |
Open Access |
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Notes |
This work was supported by the Flemish Science Foundation FWO-Vl, by the NOI-BOF of the University of Antwerp, and by the Belgian Science Policy IAP. |
Approved |
Most recent IF: 3.836; 2008 IF: 3.322 |
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Call Number |
UA @ lucian @ c:irua:69634 |
Serial |
67 |
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Author |
Leenaerts, O.; Partoens, B.; Peeters, F.M. |
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Title |
Graphene: a perfect nanoballoon |
Type |
A1 Journal article |
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Year |
2008 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
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Volume |
93 |
Issue |
19 |
Pages |
193107,1-193107,3 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We have performed a first-principles density functional theory investigation of the penetration of helium atoms through a graphene monolayer with defects. The relaxation of the graphene layer caused by the incoming helium atoms does not have a strong influence on the height of the energy barriers for penetration. For defective graphene layers, the penetration barriers decrease exponentially with the size of the defects but they are still sufficiently high that very large defects are needed to make the graphene sheet permeable for small atoms and molecules. This makes graphene a very promising material for the construction of nanocages and nanomembranes. |
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Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000260944100090 |
Publication Date |
2008-11-12 |
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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 |
0003-6951; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.411 |
Times cited |
295 |
Open Access |
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Notes |
This work was supported by the Flemish Science Foundation (FWO-Vl), the NOI-BOF of the University of Antwerp, and the Belgian Science Policy (IAP). |
Approved |
Most recent IF: 3.411; 2008 IF: 3.726 |
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Call Number |
UA @ lucian @ c:irua:73196 |
Serial |
1368 |
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Author |
Leenaerts, O.; Partoens, B.; Peeters, F.M. |
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Title |
Hydrogenation of bilayer graphene and the formation of bilayer graphane from first principles |
Type |
A1 Journal article |
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Year |
2009 |
Publication |
Physical review : B : solid state |
Abbreviated Journal |
Phys Rev B |
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Volume |
80 |
Issue |
24 |
Pages |
245422,1-245422,6 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We performed ab initio density-functional theory calculations to investigate the process of hydrogenation of a bilayer of graphene. 50% hydrogen coverage is possible in case that the hydrogen atoms are allowed to adsorb on both sides of the bilayer. In this case interlayer chemical bonding occurs which stabilizes the structure. At maximum coverage, a bilayer of graphane is formed which has properties that are similar to those of a single layer of graphane. |
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Place of Publication |
Lancaster, Pa |
Editor |
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Language |
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Wos |
000273229200126 |
Publication Date |
2009-12-21 |
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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 |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
113 |
Open Access |
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Notes |
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Approved |
Most recent IF: 3.836; 2009 IF: 3.475 |
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Call Number |
UA @ lucian @ c:irua:80578 |
Serial |
1535 |
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Author |
Leenaerts, O.; Partoens, B.; Peeters, F.M. |
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Title |
Paramagnetic adsorbates on graphene: a charge transfer analysis |
Type |
A1 Journal article |
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Year |
2008 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
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Volume |
92 |
Issue |
24 |
Pages |
243125,1-3 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We introduce a modified version of the Hirshfeld charge analysis method and demonstrate its accurateness by calculating the charge transfer between the paramagnetic molecule NO2 and graphene. The charge transfer between paramagnetic molecules and a graphene layer as calculated with ab initio methods can crucially depend on the size of the supercell used in the calculation. This has important consequences for adsorption studies involving paramagnetic molecules such as NO2 physisorbed on graphene or on carbon nanotubes. © 2008 American Institute of Physics. |
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Corporate Author |
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Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000256934900099 |
Publication Date |
2008-06-24 |
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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 |
0003-6951; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.411 |
Times cited |
79 |
Open Access |
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Notes |
This work was supported by the Flemish Science Foundation (FWO-Vl), the NOI-BOF of the University of Antwerp, and the Belgian Science Policy (IAP). Discussions with C. Van Alsenoy are gratefully acknowledged. |
Approved |
Most recent IF: 3.411; 2008 IF: 3.726 |
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Call Number |
UA @ lucian @ c:irua:69619 |
Serial |
2552 |
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Author |
Leenaerts, O.; Partoens, B.; Peeters, F.M. |
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Title |
Tunable double Dirac cone spectrum in bilayer \alpha-graphyne |
Type |
A1 Journal article |
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Year |
2013 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
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Volume |
103 |
Issue |
1 |
Pages |
013105-4 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Monolayer alpha-graphyne was recently proposed as a new all-carbon material having an electronic spectrum consisting of Dirac cones. Based on a first-principles investigation of bilayer alpha-graphyne, we show that the electronic band structure is qualitatively different from its monolayer form and depends crucially on the stacking mode of the two layers. Two stable stacking modes are found: a configuration with a gapless parabolic band structure, similar to AB stacked bilayer graphene, and another one which exhibits a doubled Dirac-cone spectrum. The latter can be tuned by an electric field with a gap opening rate of 0.3 eA. (C) 2013 AIP Publishing LLC. |
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Corporate Author |
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Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000321497200032 |
Publication Date |
2013-07-01 |
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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 |
0003-6951; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.411 |
Times cited |
58 |
Open Access |
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Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl), the NOI-BOF of the University of Antwerp, and the ESF EuroGRAPHENE project CONGRAN. ; |
Approved |
Most recent IF: 3.411; 2013 IF: 3.515 |
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Call Number |
UA @ lucian @ c:irua:109821 |
Serial |
3740 |
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Author |
Leenaerts, O.; Partoens, B.; Peeters, F.M. |
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Title |
Water on graphene: hydrophobicity and dipole moment using density functional theory |
Type |
A1 Journal article |
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Year |
2009 |
Publication |
Physical review : B : solid state |
Abbreviated Journal |
Phys Rev B |
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Volume |
79 |
Issue |
23 |
Pages |
235440,1-235440,5 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We apply density-functional theory to study the adsorption of water clusters on the surface of a graphene sheet and find i) graphene is highly hydrophobic and ii) adsorbed water has very little effect on the electronic structure of graphene. A single water cluster on graphene has a very small average dipole moment which is in contrast with an ice layer that exhibits a strong dipole moment. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lancaster, Pa |
Editor |
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Language |
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Wos |
000267699500147 |
Publication Date |
2009-06-29 |
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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 |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
292 |
Open Access |
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Notes |
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Approved |
Most recent IF: 3.836; 2009 IF: 3.475 |
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Call Number |
UA @ lucian @ c:irua:77693 |
Serial |
3904 |
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Author |
Leenaerts, O.; Partoens, B.; Peeters, F.M.; Volodin, A.; van Haesendonck, C. |
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Title |
The work function of few-layer graphene |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
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Volume |
29 |
Issue |
3 |
Pages |
035003 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
A theoretical and experimental study of the work function of few-layer graphene is reported. The influence of the number of layers on the work function is investigated in the presence of a substrate, a molecular dipole layer, and combinations of the two. The work function of few-layer graphene is almost independent of the number of layers with only a difference between monolayer and multilayer graphene of about 60 meV. In the presence of a charge-donating substrate the charge distribution is found to decay exponentially away from the substrate and this is directly reflected in the work function of few-layer graphene. A dipole layer changes the work function only when placed in between the substrate and few-layer graphene through a change of the charge transfer between the two. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Wos |
000425250600002 |
Publication Date |
2016-11-16 |
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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 |
0953-8984 |
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 |
61 |
Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:164938 |
Serial |
8760 |
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Author |
Leenaerts, O.; Peelaers, H.; Hernández-Nieves, A.D.; Partoens, B.; Peeters, F.M. |
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Title |
First-principles investigation of graphene fluoride and graphane |
Type |
A1 Journal article |
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Year |
2010 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
82 |
Issue |
19 |
Pages |
195436,1-195436,6 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Different stoichiometric configurations of graphane and graphene fluoride are investigated within density-functional theory. Their structural and electronic properties are compared, and we indicate the similarities and differences among the various configurations. Large differences between graphane and graphene fluoride are found that are caused by the presence of charges on the fluorine atoms. A configuration that is more stable than the boat configuration is predicted for graphene fluoride. We also perform GW calculations for the electronic band gap of both graphene derivatives. These band gaps and also the calculated Youngs moduli are at variance with available experimental data. This might indicate that the experimental samples contain a large number of defects or are only partially covered with H or F. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000284399200004 |
Publication Date |
2010-11-18 |
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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 |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
367 |
Open Access |
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Notes |
; This work was supported by the Flemish Science Foundation (FWO-V1), the NOI-BOF of the University of Antwerp, the Belgian Science Policy (IAP), and the collaborative project FWO-MINCyT (Grant No. FW/08/01). A.D.H. also acknowledges support from ANPCyT (Grant No. PICT 2008-2236). ; |
Approved |
Most recent IF: 3.836; 2010 IF: 3.774 |
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Call Number |
UA @ lucian @ c:irua:86916 |
Serial |
1212 |
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Author |
Leenaerts, O.; Sahin, H.; Partoens, B.; Peeters, F.M. |
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Title |
First-principles investigation of B- and N-doped fluorographene |
Type |
A1 Journal article |
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Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
88 |
Issue |
3 |
Pages |
035434-35435 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The effect of substitutional doping of fluorographene with boron and nitrogen atoms on its electronic and magnetic properties is investigated using first-principles calculations. It is found that boron dopants can be readily incorporated in the fluorographene crystal where they act as shallow acceptors and cause hole doping, but no changes in the magnetic properties are observed. Nitrogen dopants act as deep donors and give rise to a magnetic moment, but the resulting system becomes chemically unstable. These results are opposite to what was found for substitutional doping of graphane, i.e., hydrogenated graphene, in which case B substituents induce magnetism and N dopants do not. |
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Place of Publication |
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Editor |
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Language |
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Wos |
000322083700002 |
Publication Date |
2013-07-22 |
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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 |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
16 |
Open Access |
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Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem program of the Flemish government. H.S. is supported by a FWO Pegasus-long Marie Curie Fellowship. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure), and the HPC infrastructure of the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Center VSC. ; |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
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Call Number |
UA @ lucian @ c:irua:109807 |
Serial |
1210 |
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Author |
Leenaerts, O.; Schoeters, B.; Partoens, B. |
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Title |
Stable kagome lattices from group IV elements |
Type |
A1 Journal article |
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Year |
2015 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
91 |
Issue |
91 |
Pages |
115202 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
A thorough investigation of three-dimensional kagome lattices of group IV elements is performed with first-principles calculations. The investigated kagome lattices of silicon and germanium are found to be of similar stability as the recently proposed carbon kagome lattice. Carbon and silicon kagome lattices are both direct-gap semiconductors but they have qualitatively different electronic band structures. While direct optical transitions between the valence and conduction bands are allowed in the carbon case, no such transitions can be observed for silicon. The kagome lattice of germanium exhibits semimetallic behavior but can be transformed into a semiconductor after compression. |
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Place of Publication |
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Editor |
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Language |
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Wos |
000351900700003 |
Publication Date |
2015-03-10 |
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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 |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
12 |
Open Access |
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Notes |
; This work was supported by the Fonds Wetenschappelijk Onderzoek (FWO-Vl). The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Hercules Foundation and the Flemish Government – department EWI. ; |
Approved |
Most recent IF: 3.836; 2015 IF: 3.736 |
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Call Number |
c:irua:125516 |
Serial |
3144 |
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Author |
Leenaerts, O.; Vercauteren, S.; Partoens, B. |
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Title |
Band alignment of lateral two-dimensional heterostructures with a transverse dipole |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
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Volume |
110 |
Issue |
110 |
Pages |
181602 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
It was recently shown that the electronic band alignment in lateral two-dimensional heterostructures is strongly dependent on the system geometry, such as heterostructure width and layer thickness. This is so even in the absence of polar edge terminations because of the appearance of an interface dipole between the two different materials. In this study, this work is expanded to include two-dimensional materials that possess an electronic dipole over their surface, i.e., in the direction transverse to the crystal plane. To this end, a heterostucture consisting of polar hydrofluorinated graphene and non-polar graphane layers is studied with first-principles calculations. As for nonpolar heterostructures, a significant geometry dependence is observed with two different limits for the band offset. For infinitely wide heterostructures, the potential step in the vacuum is equally divided over the two sides of the heterostructure, resulting in a finite potential step in the heterostructure. For infinitely thick heterostructure slabs, on the other hand, the band offset is reduced, similar to the three-dimensional case. |
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Address |
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Corporate Author |
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Thesis |
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| |
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
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| |
Language |
|
Wos |
000400931900014 |
Publication Date |
2017-05-01 |
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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 |
|
|
| |
ISSN |
0003-6951; 1077-3118 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
3.411 |
Times cited |
4 |
Open Access |
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| |
Notes |
; This work was supported by the Fonds Wetenschappelijk Onderzoek (FWO-VI). The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Hercules Foundation and the Flemish Government-department EWI. ; |
Approved |
Most recent IF: 3.411 |
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| |
Call Number |
UA @ lucian @ c:irua:143755 |
Serial |
4586 |
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| Permanent link to this record |
| |
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| |
|
Author |
Leenaerts, O.; Vercauteren, S.; Schoeters, B.; Partoens, B. |
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| |
Title |
System-size dependent band alignment in lateral two-dimensional heterostructures |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
2D materials |
Abbreviated Journal |
2D Mater |
|
| |
Volume |
3 |
Issue |
3 |
Pages |
025012 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
The electronic band alignment in semiconductor heterostructures is a key factor for their use in electronic applications. The alignment problem has been intensively studied for bulk systems but is less well understood for low-dimensional heterostructures. In this work we investigate the alignment in two-dimensional lateral heterostructures. First-principles calculations are used to show that the electronic band offset depends crucially on the width and thickness of the heterostructure slab. The particular heterostructures under study consist of thin hydrogenated and fluorinated diamond slabs which are laterally joined together. Two different limits for the band offset are observed. For infinitely wide heterostructures the vacuum potential above the two materials is aligned leading to a large step potential within the heterostructure. For infinitely thick heterostructure slabs, on the other hand, there is no potential step in the heterostructure bulk, but a large potential step in the vacuum region above the heterojunction is observed. The band alignment in finite systems depends on the particular dimensions of the system. These observations are shown to result from an interface dipole at the heterojunction that tends to align the band structures. |
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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 |
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Editor |
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| |
Language |
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Wos |
000378571400032 |
Publication Date |
2016-04-13 |
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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 |
2053-1583 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
6.937 |
Times cited |
19 |
Open Access |
|
|
| |
Notes |
This work was supported by the Fonds Wetenschappelijk Onderzoek (FWO-Vl). The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Hercules Foundation and the Flemish Government— department EWI. |
Approved |
Most recent IF: 6.937 |
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| |
Call Number |
c:irua:132792 c:irua:132792 |
Serial |
4055 |
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| Permanent link to this record |
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Author |
Lefrancois, P.; Girard-Sahun, F.; Badets, V.; Clement, F.; Arbault, S. |
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| |
Title |
Electroactivity of superoxide anion in aqueous phosphate buffers analyzed with platinized microelectrodes |
Type |
A1 Journal article |
| |
Year |
2020 |
Publication |
Electroanalysis |
Abbreviated Journal |
Electroanal |
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Volume |
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Issue |
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Pages |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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| |
Abstract |
The reactivity of platinized ultramicroelectrodes (Pt-black UMEs) towards superoxide anion O-2(.-), an unstable Reactive Oxygen Species (ROS), and its relatives, H2O2 and O-2, was studied. Voltammetric studies in PBS demonstrate that Pt-black UMEs provide: i) a well-resolved reversible redox signature for O-2(.-) detected in both alkaline and physiological buffers (pH 12 and 7.4); ii) irreversible oxidation and reduction waves for H2O2 at pH 7.4. The oxygen reduction reaction (ORR) at Pt-black surfaces solely yields H2O2 (2 electrons/2 H+) at physiological pH. Consequently, Pt-black UMEs allow to sense different ROS including superoxide anion for future biomedical or physico-chemical investigations. |
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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 |
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Editor |
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Language |
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Wos |
000590291800001 |
Publication Date |
2020-11-09 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
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Series Issue |
|
Edition |
|
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| |
ISSN |
1040-0397 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
3 |
Times cited |
|
Open Access |
|
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| |
Notes |
|
Approved |
Most recent IF: 3; 2020 IF: 2.851 |
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| |
Call Number |
UA @ admin @ c:irua:174264 |
Serial |
6764 |
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| Permanent link to this record |
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Author |
Legrand, S. |
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| |
Title |
Advanced chemical imaging of artworks |
Type |
Doctoral thesis |
| |
Year |
2021 |
Publication |
|
Abbreviated Journal |
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| |
Volume |
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Issue |
|
Pages |
315 p. |
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| |
Keywords |
Doctoral thesis; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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| |
Abstract |
Last century the field of heritage sciences expanded beyond imagination. The inventions of X-ray radiography and infrared reflectography allowed experts to investigate paintings below the surface as well. More recent developments led to the advent of the field of hyperspectral imaging, to which the advanced chemical imaging methods, used in this thesis work, belong. These techniques not only allow to identify the components present in artworks, but also to visualize their distribution over these objects. The resulting distribution maps permit a broader public to interpret the scientific data and to relate these results with the artwork itself. During this thesis work a range of flat artworks were investigated in a non-destructive manner using mainly two macroscopic imaging techniques: macroscopic X-ray fluorescence scanning and macroscopic Fourier transformed mid-infrared scanning in reflectance mode. The resulting images were sometimes supplemented with microscopic techniques on a minute selection of samples to fully understand the layer build-up, composition and distribution of these materials over the stratigraphy. Illuminated manuscripts pushed the interpretation of the macroscopic imaging techniques: due to the impossibility of sampling, all answers had to be obtained non-destructively. Documenting masterpieces such as the Ghent Altarpiece by means of chemical imaging techniques, helped the restoration team, assisted by the international commission to make the daring decision of manually removing the non-original paint layers. Scanning stained-glass windows allowed experts to document the panels, create situation reports, identify later infills and guide the restoration process in a more efficient manner. By initially applying non-destructive imaging techniques, many of the research/conservation questions could already be answered. Based on the resulting distribution maps, only a very limited amount of sampling was required to obtain a representative set to answer the remaining questions. In most cases the combination of multiple methods was necessary to fully understand the situation. A similar trend could be seen in the research field: the collaboration between divergent disciples was often required in order to explain all observations. In order to completely break through, the scanning speed of these techniques has to increase even more in order to cover an acceptable surface in one workday. Parallel with the operational speed, the (basic) data treatment should also be streamlined more in order to allow a broader user group to access the results. Once these two improvements are carried out, these techniques become accessible to a larger public. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
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Publication Date |
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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 |
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ISBN |
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Additional Links |
UA library record |
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Impact Factor |
|
Times cited |
|
Open Access |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:176342 |
Serial |
7420 |
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| Permanent link to this record |
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| |
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Author |
Legrand, S.; Alfeld, M.; Vanmeert, F.; de Nolf, W.; Janssens, K. |
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Title |
Macroscopic Fourier transform infrared scanning in reflection mode (MA-rFTIR), a new tool for chemical imaging of cultural heritage artefacts in the mid-infrared range |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
The analyst |
Abbreviated Journal |
Analyst |
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| |
Volume |
139 |
Issue |
10 |
Pages |
2489-2498 |
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| |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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| |
Abstract |
In this paper we demonstrate that by means of scanning reflection FTIR spectroscopy, it is possible to record highly specific distribution maps of organic and inorganic compounds from flat, macroscopic objects with cultural heritage value in a non-invasive manner. Our previous work involved the recording of macroscopic distributions of chemical elements or crystal phases from painted works of art based on respectively macroscopic X-ray fluorescence or X-ray powder diffraction analysis. The use of infrared radiation instead of X-rays has the advantage that more specific information about the nature and distribution of the chemical compounds present can be gathered. This higher imaging specificity represents a clear advantage for the characterization of painting and artist materials. It allows the distribution of metallo-organic compounds to be visualized and permits distinguishing between pigmented materials containing the same key metal. The prototype instrument allows the recording of hyperspectral datacubes by scanning the surface of the artefact in a contactless and sequential single-point measuring mode, while recording the spectrum of reflected infrared radiation. After the acquisition, spectral line intensities of individual bands and chemical distribution maps can be extracted from the datacube to identify the compounds present and/or to highlight their spatial distribution. Not only is information gained on the surface of the investigated artefacts, but also images of overpainted paint layers and, if present, the underdrawing may be revealed in this manner. A current major limitation is the long scanning times required to record these maps. |
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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 |
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Editor |
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Language |
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Wos |
000334734200028 |
Publication Date |
2014-02-19 |
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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 |
0003-2654 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
3.885 |
Times cited |
25 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 3.885; 2014 IF: 4.107 |
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Call Number |
UA @ admin @ c:irua:116595 |
Serial |
5699 |
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| Permanent link to this record |
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Author |
Legrand, S.; Ricciardi, P.; Nodari, L.; Janssens, K. |
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Title |
Non-invasive analysis of a 15th century illuminated manuscript fragment: point-based vs imaging spectroscopy |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Microchemical journal |
Abbreviated Journal |
Microchem J |
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| |
Volume |
138 |
Issue |
138 |
Pages |
162-172 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
Illuminated manuscript fragments are some of the best preserved objects of Western cultural heritage. Therefore, scholars are limited to non-invasive – often point-based – methods, to answer questions on material usage, technique, origin and previous treatments. These powerful methods yield specific information; however, the information is limited to the number of points analyzed. Imaging spectroscopies such as MA-XRF and MA-rFTIR combine specificity with the power of imaging, resulting in distribution images that are interpretable by non-spectroscopists and the public at large. In this paper the possible added value of using imaging spectroscopy is discussed. Do these methods yield the same results as an extensive point-based spectroscopic campaign and can they bring novel information? As a case study, a 15th century illuminated manuscript fragment is employed in order to explore the differences between these approaches and present an inventory of their advantages and limitations. (C) 2018 Elsevier B.V. All rights reserved. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000428103000019 |
Publication Date |
2018-01-05 |
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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 |
0026-265x; 0026-265x |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
3.034 |
Times cited |
12 |
Open Access |
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Notes |
; The authors wish to thank Dr. Stella Panayotova, Keeper of Manuscripts and Printed Books at the Fitzwilliam Museum, for allowing technical analysis of the manuscript fragment, and Dr. Suzanne Reynolds, Assistant Keeper of Manuscripts and Printed Books, for crucial help in identifying the text on the reverse of the fragment and its significance. We also wish to thank Prof. Andrew Beeby and Dr. Catherine Nicholson for their complementary Raman analyses. The warm hospitality of the Hamilton Kerr Institute is also gratefully acknowledged. The Esmee Fairbairn Collections Fund and Cambridge University's Returning Carers Scheme provided funding for part of this research. SL and KJ acknowledge support from project METOX (contract BR/165/A6/MetOx), BELSPO, Brussels. ; |
Approved |
Most recent IF: 3.034 |
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| |
Call Number |
UA @ admin @ c:irua:151563 |
Serial |
5749 |
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| Permanent link to this record |
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Author |
Legrand, S.; van der Snickt, G.; Cagno, S.; Caen, J.; Janssens, K. |
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Title |
MA-XRF imaging as a tool to characterize the 16th century heraldic stained-glass panels in Ghent Saint Bavo Cathedral |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
Journal of cultural heritage |
Abbreviated Journal |
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Volume |
40 |
Issue |
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Pages |
163-168 |
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Keywords |
A1 Journal article; Art; History; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Cultural Heritage Sciences (ARCHES) |
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Abstract |
MA-XRF is a novel macroscopic imaging technique originally developed for easel paintings and recently made available to glass conservators. This paper discusses the first real-life contribution of MA-XRF imaging to a conservation intervention of stained-glass panels. The six panels under study belong to the cathedral building since their creation in 1555-1559 AD. MA-XRF appeared an outstanding tool for first-line screening of stained-glass windows, providing readily interpretable information on glass type, coloring and alteration processes. In particular, the chemical imaging technique allowed distinguishing unambiguously the surviving original glass panes from later additions, thereby ensuring a correct historical understanding. From a more practical point of view, the experiments supplied accurate schemes that can be directly incorporated in condition reports and assist designing the ensuing conservation approach. (C0 2019 Elsevier Masson SAS. All rights reserved. |
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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 |
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Editor |
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Language |
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Wos |
000491173800017 |
Publication Date |
2019-06-26 |
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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 |
1296-2074 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
|
Times cited |
|
Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:167564 |
Serial |
8191 |
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| Permanent link to this record |
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Author |
Legrand, S.; Vanmeert, F.; van der Snickt, G.; Alfeld, M.; de Nolf, W.; Dik, J.; Janssens, K. |
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Title |
Examination of historical paintings by state-of-the-art hyperspectral imaging methods : from scanning infra-red spectroscopy to computed X-ray laminography |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
Heritage science |
Abbreviated Journal |
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Volume |
2 |
Issue |
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Pages |
13-11 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
The development of advanced methods for non-destructive selective imaging of painted works of art at the macroscopic level based on radiation in the X-ray and infrared range of the electromagnetic spectrum are concisely reviewed. Such methods allow to either record depth-selective, element-selective or species-selective images of entire paintings. Camera-based full field methods (that record the image data in parallel) can be discerned next to scanning methods (that build up distributions in a sequential manner by scanning a beam of radiation over the surface of an artefact). Six methods are discussed: on the one hand, macroscopic X-ray fluorescence and X-ray diffraction imaging and X-ray laminography and on the other hand macroscopic Mid and Near Infrared hyper- and full spectral imaging and Optical Coherence Tomography. These methods can be considered to be improved versions of the well-established imaging methods employed worldwide for examination of paintings, i.e., X-ray radiography and Infrared reflectography. Possibilities and limitations of these new imaging techniques are outlined. |
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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 |
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Editor |
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Language |
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Wos |
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Publication Date |
2014-05-30 |
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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 |
2050-7445 |
ISBN |
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Additional Links |
UA library record |
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Impact Factor |
|
Times cited |
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Open Access |
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Notes |
|
Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:124629 |
Serial |
5619 |
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| Permanent link to this record |
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Author |
Lei, C.H.; Amelinckx, S.; Van Tendeloo, G. |
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Title |
'Disordered' Ba(Mg1/3Ta2/3)O3 and its ordering transition |
Type |
A1 Journal article |
| |
Year |
2002 |
Publication |
Philosophical magazine: A: physics of condensed matter: defects and mechanical properties |
Abbreviated Journal |
Philos Mag A |
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Volume |
82 |
Issue |
11 |
Pages |
2321-2332 |
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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 |
000177061000007 |
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 |
0141-8610; 1364-2804 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
|
Times cited |
5 |
Open Access |
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Notes |
|
Approved |
Most recent IF: NA |
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Call Number |
UA @ lucian @ c:irua:54754 |
Serial |
735 |
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| Permanent link to this record |
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Author |
Lei, C.H.; Van Tendeloo, G. |
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Title |
Anisotropic BaTiO3 thin films grown on MgO-buffered R-plane sapphire |
Type |
A1 Journal article |
| |
Year |
2002 |
Publication |
Philosophical magazine letters |
Abbreviated Journal |
Phil Mag Lett |
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Volume |
82 |
Issue |
8 |
Pages |
433-442 |
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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 |
000177532600003 |
Publication Date |
2002-09-30 |
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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 |
0950-0839;1362-3036; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
0.941 |
Times cited |
2 |
Open Access |
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Notes |
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Approved |
Most recent IF: 0.941; 2002 IF: 1.421 |
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Call Number |
UA @ lucian @ c:irua:54841 |
Serial |
131 |
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| Permanent link to this record |
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Author |
Lei, C.H.; Van Tendeloo, G.; Amelinckx, S. |
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Title |
The microstructure of ordered Ba(Mg1/3Ta2/3)O3 |
Type |
A1 Journal article |
| |
Year |
2002 |
Publication |
Philosophical magazine: A: physics of condensed matter: defects and mechanical properties |
Abbreviated Journal |
Philos Mag A |
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Volume |
82 |
Issue |
2 |
Pages |
349-367 |
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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 |
000173420400009 |
Publication Date |
2002-07-26 |
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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 |
0141-8610;1460-6992; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
|
Times cited |
8 |
Open Access |
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| |
Notes |
Iuap 4-10 |
Approved |
Most recent IF: NA |
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| |
Call Number |
UA @ lucian @ c:irua:54753 |
Serial |
2071 |
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| Permanent link to this record |
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Author |
Lei, C.H.; Van Tendeloo, G.; Lisoni, J.G.; Siegert, M.; Schubert, J. |
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Title |
Growth kinetic of MgO film on r-plane of sapphire: microstructural study |
Type |
A1 Journal article |
| |
Year |
2001 |
Publication |
Journal of crystal growth |
Abbreviated Journal |
J Cryst Growth |
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| |
Volume |
226 |
Issue |
2/3 |
Pages |
419-429 |
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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 |
Amsterdam |
Editor |
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Language |
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Wos |
000169535100029 |
Publication Date |
2002-07-26 |
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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 |
0022-0248; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
1.751 |
Times cited |
7 |
Open Access |
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| |
Notes |
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Approved |
Most recent IF: 1.751; 2001 IF: 1.283 |
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Call Number |
UA @ lucian @ c:irua:54783 |
Serial |
1391 |
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| Permanent link to this record |
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Author |
Lei, C.H.; Van Tendeloo, G.; Siegert, M.; Schubert, J. |
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Title |
Microstructural investigation of BaTiO3 thin films deposited on (001) MgO |
Type |
A1 Journal article |
| |
Year |
2002 |
Publication |
Journal of materials research |
Abbreviated Journal |
J Mater Res |
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| |
Volume |
17 |
Issue |
8 |
Pages |
1923-1931 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
The microstructure of BaTiO3 thin films, epitaxially deposited on (001) MgO by pulsed laser ablation, has been investigated by transmission electron microscopy. The films are always c-axis-orientated, but dislocations, {111} stacking faults, and antiphase boundaries are frequently observed. Conventional TEM and high-resolution microscopy allow one to deduce the Burgers vectors of dislocations as b(1) = <100> or b(2) = <110>, both being perfect dislocations. Most extrinsic stacking faults are ending at 1/3<112> or 1/3<111> partial dislocations; the displacement vector of the antiphase boundaries is 1/2<101>. Studying the interfacial structure by means of zone images taken along [100] and [110] shows that the misfit is mainly released by dislocations with Burgers vectors of 1/2<110> and 1/2<101>. |
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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 |
New York, N.Y. |
Editor |
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Language |
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Wos |
000177208800010 |
Publication Date |
2008-03-06 |
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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 |
0884-2914;2044-5326; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
1.673 |
Times cited |
8 |
Open Access |
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Notes |
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Approved |
Most recent IF: 1.673; 2002 IF: 1.530 |
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| |
Call Number |
UA @ lucian @ c:irua:103343 |
Serial |
2044 |
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| Permanent link to this record |
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Author |
Lei, C.H.; Van Tendeloo, G.; Siegert, M.; Schubert, J.; Buchal, C. |
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Title |
Structural investigation of the epitaxial yittria-stabilized zirconia films deposited on (001) silicon by laser ablation |
Type |
A1 Journal article |
| |
Year |
2001 |
Publication |
Journal of crystal growth |
Abbreviated Journal |
J Cryst Growth |
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| |
Volume |
222 |
Issue |
3 |
Pages |
558-564 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Yittria-stabilized zirconia (YSZ) films doped with 3 and 9 vol%. Y(2)O(3), respectively, are epitaxially deposited on (0 0 1) silicon substrates by means of pulsed laser deposition (PLD) technique. Transmission electron microscopy (TEM) and X-ray diffraction are mainly combined to study the film microstructure. It is: found that the film structure strongly depends on the amount of Y(2)O(3) dopant. 99/0 Y(2)O(3)-doped films display a near cubic structure; 45 degrees 1/2(1 1 0) dislocations are the main defects in the film and thermal cracks are formed during cooling. The 3% Y(2)O(3)-doped films are dominated by {1 1 0} twin-related tetragonal domains in which monoclinic phase is found. The films are free of thermal cracks even for films thicker than 2 mum. (C) 2001 Elsevier Science B.V. All rights reserved. |
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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 |
Amsterdam |
Editor |
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Language |
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Wos |
000166701500020 |
Publication Date |
2002-07-25 |
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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 |
0022-0248; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
1.751 |
Times cited |
12 |
Open Access |
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Notes |
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Approved |
Most recent IF: 1.751; 2001 IF: 1.283 |
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| |
Call Number |
UA @ lucian @ c:irua:104211 |
Serial |
3240 |
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| Permanent link to this record |
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Author |
Leinders, G.; Baldinozzi, G.; Ritter, C.; Saniz, R.; Arts, I.; Lamoen, D.; Verwerft, M. |
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Title |
Charge Localization and Magnetic Correlations in the Refined Structure of U3O7 |
Type |
A1 Journal article |
| |
Year |
2021 |
Publication |
Inorganic Chemistry |
Abbreviated Journal |
Inorg Chem |
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| |
Volume |
60 |
Issue |
14 |
Pages |
10550-10564 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Atomic arrangements in the mixed-valence oxide U3O7 are refined from high-resolution neutron scattering data. The crystallographic model describes a long-range structural order in a U60O140 primitive cell (space group P42/n) containing distorted cuboctahedral oxygen clusters. By combining experimental data and electronic structure calculations accounting for spin–orbit interactions, we provide robust evidence of an interplay between charge localization and the magnetic moments carried by the uranium atoms. The calculations predict U3O7 to be a semiconducting solid with a band gap of close to 0.32 eV, and a more pronounced charge-transfer insulator behavior as compared to the well-known Mott insulator UO2. Most uranium ions (56 out of 60) occur in 9-fold and 10-fold coordinated environments, surrounding the oxygen clusters, and have a tetravalent (24 out of 60) or pentavalent (32 out of 60) state. The remaining uranium ions (4 out of 60) are not contiguous to the oxygen cuboctahedra and have a very compact, 8-fold coordinated environment with two short (2 × 1.93(3) Å) “oxo-type” bonds. The higher Hirshfeld charge and the diamagnetic character point to a hexavalent state for these four uranium ions. Hence, the valence state distribution corresponds to 24/60 × U(IV) + 32/60 U(V) + 4/60 U(VI). The tetravalent and pentavalent uranium ions are predicted to carry noncollinear magnetic moments (with amplitudes of 1.6 and 0.8 μB, respectively), resulting in canted ferromagnetic order in characteristic layers within the overall fluorite-related structure. |
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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 |
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Editor |
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Language |
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Wos |
000675430900049 |
Publication Date |
2021-07-19 |
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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 |
0020-1669 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
4.857 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
Financial support for this research was partly provided by the Energy Transition Fund of the Belgian FPS Economy (Project SF-CORMOD – Spent Fuel CORrosion MODeling). This work was performed in part using HPC resources from GENCI-IDRIS (Grants 2020-101450 and 2020-101601), and in part by the VSC (Flemish Supercomputer Center) and the HPC infrastructure of the University of Antwerp (CalcUA), both funded by the FWO-Vlaanderen and the Flemish Government-department EWI. GL thanks E. Suard and C. Schreinemachers for assistance during the neutron scattering experiments at the ILL. GB acknowledges V. Petříček for suggestions on using JANA2006. |
Approved |
Most recent IF: 4.857 |
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| |
Call Number |
EMAT @ emat @c:irua:179907 |
Serial |
6801 |
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| Permanent link to this record |
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Author |
Leishman, A.W.D.; Menezes, R.M.; Longbons, G.; Bauer, E.D.; Janoschek, M.; Honecker, D.; DeBeer-Schmitt, L.; White, J.S.; Sokolova, A.; Milošević, M.V.; Eskildsen, M.R. |
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Title |
Topological energy barrier for skyrmion lattice formation in MnSi |
Type |
A1 Journal article |
| |
Year |
2020 |
Publication |
Physical Review B |
Abbreviated Journal |
Phys Rev B |
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| |
Volume |
102 |
Issue |
10 |
Pages |
104416-104419 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We report the direct measurement of the topological skyrmion energy barrier through a hysteresis of the skyrmion lattice in the chiral magnet MnSi. Measurements were made using small-angle neutron scattering with a custom-built resistive coil to allow for high-precision minor hysteresis loops. The experimental data were analyzed using an adapted Preisach model to quantify the energy barrier for skyrmion formation and corroborated by the minimum-energy path analysis based on atomistic spin simulations. We reveal that the skyrmion lattice in MnSi forms from the conical phase progressively in small domains, each of which consisting of hundreds of skyrmions, and with an activation barrier of several eV. |
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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 |
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Editor |
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Language |
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Wos |
000568994800005 |
Publication Date |
2020-09-14 |
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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 |
2469-9969; 2469-9950 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.7 |
Times cited |
1 |
Open Access |
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Notes |
; This work was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, under Award No. DE-SC0005051 (A.W.D.L., G.L., M.R.E.), the Research Foundation -Flanders (FWO-Vlaanderen) (R.M.M., M.V.M.), and Brazilian Agencies FACEPE, CAPES and CNPq (R.M.M.). M.J. was supported by the LANL Directed Research and Development (LDRD) program via the Directed Research (DR) project “A New Approach to Mesoscale Functionality: Emergent Tunable Superlattices (20150082DR).” E.D.B. was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Science and Engineering, under project “Quantum Fluctuations in Narrow-Band Systems.” A portion of this research used resources at the High Flux Isotope Reactor, a DOE Office of Science User Facility operated by the Oak Ridge National Laboratory. Part of this work is based on experiments performed at the Swiss spallation neutron source SINQ, Paul Scherrer Institute, Villigen, Switzerland. We acknowledge useful conversations with E. Louden, D. Green, and A. Francisco in preparation for these experiments, as well as the assistance of K. Avers, G. Taufer, M. Harrington, M. Bartkowiak, and C. Baldwin in completing them. ; |
Approved |
Most recent IF: 3.7; 2020 IF: 3.836 |
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Call Number |
UA @ admin @ c:irua:171959 |
Serial |
6631 |
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| Permanent link to this record |
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Author |
Leliaert, J.; Dvornik, M.; Mulkers, J.; De Clercq, J.; Milošević, M.V.; Van Waeyenberge, B. |
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Title |
Fast micromagnetic simulations on GPU-recent advances made with mumax3 |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Journal of physics: D: applied physics |
Abbreviated Journal |
J Phys D Appl Phys |
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Volume |
51 |
Issue |
12 |
Pages |
123002 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
In the last twenty years, numerical modeling has become an indispensable part of magnetism research. It has become a standard tool for both the exploration of new systems and for the interpretation of experimental data. In the last five years, the capabilities of micromagnetic modeling have dramatically increased due to the deployment of graphical processing units (GPU), which have sped up calculations to a factor of 200. This has enabled many studies which were previously unfeasible. In this topical review, we give an overview of this modeling approach and show how it has contributed to the forefront of current magnetism research. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
Iop publishing ltd |
Place of Publication |
Bristol |
Editor |
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Language |
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Wos |
000425774100001 |
Publication Date |
2018-01-29 |
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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 |
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 |
65 |
Open Access |
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Notes |
; This work was supported by the Fonds Wetenschappelijk Onderzoek (FWO-Vlaanderen) through Project No. G098917N. JL is supported by the Ghent University Special Research Fund (BOF postdoctoral fellowship). We gratefully acknowledge the support of the NVIDIA Corporation with the donation of a Titan Xp GPU used for this research. ; |
Approved |
Most recent IF: 2.588 |
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Call Number |
UA @ lucian @ c:irua:149852UA @ admin @ c:irua:149852 |
Serial |
4934 |
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Author |
Leliaert, J.; Gypens, P.; Milošević, M.V.; Van Waeyenberge, B.; Mulkers, J. |
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Title |
Coupling of the skyrmion velocity to its breathing mode in periodically notched nanotracks |
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 |
2 |
Pages |
024003 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
A thorough understanding of the skyrmion motion through nanotracks is a prerequisite to realize the full potential of spintronic applications like the skyrmion racetrack memory. One of the challenges is to place the data, i.e. skyrmions, on discrete fixed positions, e.g. below a read or write head. In the domain-wall racetrack memory, one proposed solution to this problem was patterning the nanotrack with notches. Following this approach, this paper reports on the skyrmion mobility through a nanotrack with periodic notches (constrictions) made using variations in the chiral Dzyaloshinskii-Moriya interaction. We observe that such notches induce a coupling between the mobility and the skyrmion breathing mode, which manifests itself as velocity-dependent oscillations of the skyrmion diameter and plateaus in which the velocity is independent of the driving force. Despite the fact that domain walls are far more rigid objects than skyrmions, we were able to perform an analogous study and, surprisingly, found even larger plateaus of constant velocity. For both systems it is straightforward to tune the velocity at these plateaus by changing the design of the notched nanotrack geometry, e.g. by varying the distance between the notches. Therefore, the notch-induced coupling between the excited modes and the mobility could offer a strategy to stabilize the velocity against unwanted perturbations in racetrack-like applications. In the last part of the paper we focus on the low-current mobility regimes, whose very rich dynamics at nonzero temperatures are very similar to the operating principle of recently developed probabilistic logic devices. This proves that the mobility of nanomagnetic structures through a periodically modulated track is not only interesting from a fundamental point of view, but has a future in many spintronic applications. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000449169100001 |
Publication Date |
2018-10-11 |
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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 |
0022-3727 |
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 |
; This work is supported by Fonds Wetenschappelijk Onderzoek (FWO-Vlaanderen) through Project No. G098917N. JL acknowledges his postdoctoral fellowships by the Ghent University special research fund (BOF) and FWO-Vlaanderen. The authors gratefully acknowledge the support of NVIDIA Corporation through donation of Titan Xp and Titan V GPU cards used for this research. ; |
Approved |
Most recent IF: 2.588 |
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Call Number |
UA @ admin @ c:irua:155359 |
Serial |
5202 |
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Author |
Leliaert, J.; Mulkers, J.; De Clercq, J.; Coene, A.; Dvornik, M.; Van Waeyenberge, B. |
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Title |
Adaptively time stepping the stochastic Landau-Lifshitz-Gilbert equation at nonzero temperature: Implementation and validation in MuMax3 |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
AIP advances |
Abbreviated Journal |
Aip Adv |
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Volume |
7 |
Issue |
12 |
Pages |
125010 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
Thermal fluctuations play an increasingly important role in micromagnetic research relevant for various biomedical and other technological applications. Until now, it was deemed necessary to use a time stepping algorithm with a fixed time step in order to perform micromagnetic simulations at nonzero temperatures. However, Berkov and Gorn have shown in [D. Berkov and N. Gorn, J. Phys.: Condens. Matter,14, L281, 2002] that the drift term which generally appears when solving stochastic differential equations can only influence the length of the magnetization. This quantity is however fixed in the case of the stochastic Landau-Lifshitz-Gilbert equation. In this paper, we exploit this fact to straightforwardly extend existing high order solvers with an adaptive time stepping algorithm. We implemented the presented methods in the freely available GPU-accelerated micromagnetic software package MuMax3 and used it to extensively validate the presented methods. Next to the advantage of having control over the error tolerance, we report a twenty fold speedup without a loss of accuracy, when using the presented methods as compared to the hereto best practice of using Heun’s solver with a small fixed time step. |
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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 |
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Editor |
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Language |
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Wos |
000418492500010 |
Publication Date |
2017-12-11 |
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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 |
2158-3226 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.568 |
Times cited |
13 |
Open Access |
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Notes |
This work was supported by the Fonds Wetenschappelijk Onderzoek (FWO-Vlaanderen) through Project No. G098917N and a postdoctoral fellowship (A.C.). J. L. is supported by the Ghent University Special Research Fund (BOF postdoctoral fellowship). We gratefully acknowl- edge the support of NVIDIA Corporation with the donation of the Titan Xp GPU used for this research. |
Approved |
Most recent IF: 1.568 |
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Call Number |
CMT @ cmt @c:irua:147860 |
Serial |
4799 |
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| Permanent link to this record |
