| |
Records |
|
Author |
Baelus, B.J.; Kanda, A.; Shimizu, N.; Tadano, K.; Ootuka, Y.; Kadowaki, K.; Peeters, F.M. |
| |
Title |
Multivortex and giant vortex states near the expulsion and penetration fields in thin mesoscopic superconducting squares |
Type |
A1 Journal article |
| |
Year |
2006 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| |
Volume |
73 |
Issue |
2 |
Pages |
024514,1-9 |
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| |
Abstract |
|
| |
Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
| |
Language |
|
Wos |
000235009300093 |
Publication Date |
2006-01-31 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
3.836 |
Times cited |
35 |
Open Access |
|
| |
Notes |
|
Approved  |
Most recent IF: 3.836; 2006 IF: 3.107 |
| |
Call Number |
UA @ lucian @ c:irua:56614 |
Serial |
2244 |
| Permanent link to this record |
| |
|
| |
|
Author |
Baelus, B.J.; Partoens, B.; Peeters, F.M. |
| |
Title |
One-dimensional modulation of the superconducting boundary condition for thin superconducting films |
Type |
A1 Journal article |
| |
Year |
2006 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| |
Volume |
73 |
Issue |
21 |
Pages |
212503,1-4 |
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| |
Abstract |
|
| |
Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
| |
Language |
|
Wos |
000238696200029 |
Publication Date |
2006-06-07 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
3.836 |
Times cited |
5 |
Open Access |
|
| |
Notes |
|
Approved |
Most recent IF: 3.836; 2006 IF: 3.107 |
| |
Call Number |
UA @ lucian @ c:irua:59706 |
Serial |
2464 |
| Permanent link to this record |
| |
|
| |
|
Author |
Hernández, A.D.; Baelus, B.J.; Domínguez, D.; Peeters, F.M. |
| |
Title |
Effects of thermal fluctuations on the magnetic behavior of mesoscopic superconductors |
Type |
A1 Journal article |
| |
Year |
2005 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| |
Volume |
71 |
Issue |
|
Pages |
214524,1-9 |
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| |
Abstract |
|
| |
Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
| |
Language |
|
Wos |
000230276600103 |
Publication Date |
2005-07-01 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
3.836 |
Times cited |
14 |
Open Access |
|
| |
Notes |
|
Approved |
Most recent IF: 3.836; 2005 IF: 3.185 |
| |
Call Number |
UA @ lucian @ c:irua:69410 |
Serial |
873 |
| Permanent link to this record |
| |
|
| |
|
Author |
Baelus, B.J.; Kadowaki, K.; Peeters, F.M. |
| |
Title |
Influence of surface defects on vortex penetration and expulsion in mesoscopic superconductors |
Type |
A1 Journal article |
| |
Year |
2005 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| |
Volume |
71 |
Issue |
|
Pages |
024514,1-11 |
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| |
Abstract |
|
| |
Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
| |
Language |
|
Wos |
000226735400097 |
Publication Date |
2005-01-26 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
3.836 |
Times cited |
27 |
Open Access |
|
| |
Notes |
|
Approved |
Most recent IF: 3.836; 2005 IF: 3.185 |
| |
Call Number |
UA @ lucian @ c:irua:69401 |
Serial |
1640 |
| Permanent link to this record |
| |
|
| |
|
Author |
Golubović, D.S.; Milošević, M.V.; Peeters, F.M.; Moshchalkov, V.V. |
| |
Title |
Magnetically induced splitting of a giant vortex state in a mesoscopic superconducting disk |
Type |
A1 Journal article |
| |
Year |
2005 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| |
Volume |
71 |
Issue |
|
Pages |
180502,1-4 |
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| |
Abstract |
|
| |
Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
| |
Language |
|
Wos |
000230124100019 |
Publication Date |
2005-05-11 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
3.836 |
Times cited |
42 |
Open Access |
|
| |
Notes |
|
Approved |
Most recent IF: 3.836; 2005 IF: 3.185 |
| |
Call Number |
UA @ lucian @ c:irua:57251 |
Serial |
1892 |
| Permanent link to this record |
| |
|
| |
|
Author |
Baelus, B.J.; Kanda, A.; Peeters, F.M.; Ootuka, Y.; Kadowaki, K. |
| |
Title |
Vortex-state-dependent phase boundary in mesoscopic superconducting disks |
Type |
A1 Journal article |
| |
Year |
2005 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| |
Volume |
71 |
Issue |
|
Pages |
140502(R),1-4 |
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| |
Abstract |
|
| |
Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
| |
Language |
|
Wos |
000228758700009 |
Publication Date |
2005-04-08 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
3.836 |
Times cited |
32 |
Open Access |
|
| |
Notes |
|
Approved |
Most recent IF: 3.836; 2005 IF: 3.185 |
| |
Call Number |
UA @ lucian @ c:irua:69407 |
Serial |
3884 |
| Permanent link to this record |
| |
|
| |
|
Author |
Cabral, L.R.E.; Baelus, B.J.; Peeters, F.M. |
| |
Title |
From vortex molecules to the Abrikosov lattice in thin mesoscopic superconducting disks |
Type |
A1 Journal article |
| |
Year |
2004 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| |
Volume |
70 |
Issue |
|
Pages |
144523,1-16 |
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| |
Abstract |
|
| |
Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
| |
Language |
|
Wos |
000224855600084 |
Publication Date |
2004-10-30 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
3.836 |
Times cited |
71 |
Open Access |
|
| |
Notes |
|
Approved |
Most recent IF: 3.836; 2004 IF: 3.075 |
| |
Call Number |
UA @ lucian @ c:irua:69392 |
Serial |
1291 |
| Permanent link to this record |
| |
|
| |
|
Author |
Colomer, J.-F.; Henrard, L.; Launois, P.; Van Tendeloo, G.; Lucas, A.A.; Lambin, P. |
| |
Title |
Interpretation of electron diffraction from carbon nanotube bundles presenting precise helicity |
Type |
A1 Journal article |
| |
Year |
2004 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| |
Volume |
70 |
Issue |
|
Pages |
075408,1-5 |
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| |
Abstract |
|
| |
Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
| |
Language |
|
Wos |
000223716600078 |
Publication Date |
2004-08-20 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
3.836 |
Times cited |
19 |
Open Access |
|
| |
Notes |
|
Approved |
Most recent IF: 3.836; 2004 IF: 3.075 |
| |
Call Number |
UA @ lucian @ c:irua:54745 |
Serial |
1709 |
| Permanent link to this record |
| |
|
| |
|
Author |
Berdiyorov, G.R.; Milošević, M.V.; Baelus, B.J.; Peeters, F.M. |
| |
Title |
Superconducting vortex state in a mesoscopic disk containing a blind hole |
Type |
A1 Journal article |
| |
Year |
2004 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| |
Volume |
70 |
Issue |
|
Pages |
024508,1-15 |
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| |
Abstract |
|
| |
Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
| |
Language |
|
Wos |
000222996600068 |
Publication Date |
2004-07-19 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
3.836 |
Times cited |
39 |
Open Access |
|
| |
Notes |
|
Approved |
Most recent IF: 3.836; 2004 IF: 3.075 |
| |
Call Number |
UA @ lucian @ c:irua:57250 |
Serial |
3369 |
| Permanent link to this record |
| |
|
| |
|
Author |
Baelus, B.J.; Cabral, L.R.E.; Peeters, F.M. |
| |
Title |
Vortex shells in mesoscopic superconducting disks |
Type |
A1 Journal article |
| |
Year |
2004 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| |
Volume |
69 |
Issue |
|
Pages |
064506,1-12 |
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| |
Abstract |
|
| |
Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
| |
Language |
|
Wos |
000220092100067 |
Publication Date |
2004-02-21 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
3.836 |
Times cited |
94 |
Open Access |
|
| |
Notes |
|
Approved |
Most recent IF: 3.836; 2004 IF: 3.075 |
| |
Call Number |
UA @ lucian @ c:irua:69381 |
Serial |
3883 |
| Permanent link to this record |
| |
|
| |
|
Author |
Blumenau, A.T.; Jones, R.; Frauenheim, T.; Willems, B.; Lebedev, O.I.; Van Tendeloo, G.; Fisher, D.; Martineau, P.M. |
| |
Title |
Dislocations in diamond : dissociation into partials and their glide motion |
Type |
A1 Journal article |
| |
Year |
2003 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| |
Volume |
68 |
Issue |
1 |
Pages |
014115-14119 |
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| |
Abstract |
The dissociation of 60degrees and screw dislocations in diamond is modeled in an approach combining isotropic elasticity theory with ab initio-based tight-binding total-energy calculations. Both dislocations are found to dissociate with a substantial lowering of their line energies. For the 60degrees dislocation, however, an energy barrier to dissociation is found. We investigate the core structure of a screw dislocation distinguishing “shuffle,” “mixed,” and “glide” cores. The latter is found to be the most stable undissociated screw dislocation. Further, the glide motion of 90degrees and 30degrees partials is discussed in terms of a process involving the thermal formation and subsequent migration of kinks along the dislocation line. The calculated activation barriers to dislocation motion show that the 30degrees partial is less mobile than the 90degrees partial. Finally, high-resolution electron microscopy is performed on high-temperature, high-pressure annealed natural brown diamond, allowing the core regions of 60degrees dislocations to be imaged. The majority of dislocations are found to be dissociated. However, in some cases, undissociated 60degrees dislocations were also observed. |
| |
Address |
|
| |
Corporate Author |
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Thesis |
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
| |
Language |
|
Wos |
000184582900050 |
Publication Date |
2003-08-01 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
0163-1829;1095-3795; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
3.836 |
Times cited |
39 |
Open Access |
|
| |
Notes |
|
Approved |
Most recent IF: 3.836; 2003 IF: NA |
| |
Call Number |
UA @ lucian @ c:irua:103800 |
Serial |
734 |
| Permanent link to this record |
| |
|
| |
|
Author |
Berdiyorov, G.R.; Baelus, B.J.; Milošević, M.V.; Peeters, F.M. |
| |
Title |
Stability and transition between vortex configurations in square mesoscopic samples with antidots |
Type |
A1 Journal article |
| |
Year |
2003 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| |
Volume |
68 |
Issue |
|
Pages |
174521,1-19 |
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| |
Abstract |
|
| |
Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
| |
Language |
|
Wos |
000186971600089 |
Publication Date |
2003-11-18 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
0163-1829;1095-3795; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
3.836 |
Times cited |
51 |
Open Access |
|
| |
Notes |
|
Approved |
Most recent IF: 3.836; 2003 IF: NA |
| |
Call Number |
UA @ lucian @ c:irua:44984 |
Serial |
3121 |
| Permanent link to this record |
| |
|
| |
|
Author |
Baelus, B.J.; Yampolskii, S.V.; Peeters, F.M. |
| |
Title |
Coupled mesoscopic superconductors : Ginzburg-Landau theory |
Type |
A1 Journal article |
| |
Year |
2002 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| |
Volume |
66 |
Issue |
2 |
Pages |
024517-024517,14 |
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| |
Abstract |
The magnetic coupling between two concentric mesoscopic superconductors with nonzero thickness is studied using the nonlinear Ginzburg-Landau theory. We calculated the free energy, the expelled field, the total field profile, the Cooper-pair density, and the current density distribution. By putting a smaller superconducting disk or ring in the center of a larger ring, the properties change drastically. Extra ground-state transitions are found, where the total vorticity stays the same, but the vorticity of the inner superconductor changes by 1. Due to the magnetic coupling, the current in the external ring exhibits extra jumps at the transition fields where the vorticity of the inner superconductor changes. In this case, for certain temperatures, re-entrant behavior and switching on and off of the superconducting behavior of the rings are found as a function of the magnetic field. A H-T phase diagram is obtained for the situation where the inner ring has a higher critical temperature than the outer ring. An analytic expression for the magnetic coupling is obtained for thin rings and extreme type-II superconductors. |
| |
Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
| |
Language |
|
Wos |
000177338400112 |
Publication Date |
2002-10-01 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
0163-1829;1095-3795; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
3.836 |
Times cited |
11 |
Open Access |
|
| |
Notes |
|
Approved |
Most recent IF: 3.836; 2002 IF: NA |
| |
Call Number |
UA @ lucian @ c:irua:94920 |
Serial |
536 |
| Permanent link to this record |
| |
|
| |
|
Author |
Baelus, B.J.; Peeters, F.M. |
| |
Title |
Dependence of the vortex configuration on the geometry of mesoscopic flat samples |
Type |
A1 Journal article |
| |
Year |
2002 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| |
Volume |
65 |
Issue |
10 |
Pages |
104515-12 |
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| |
Abstract |
The influence of the geometry of a thin superconducting sample on the penetration of the magnetic field lines and the arrangement of vortices are investigated theoretically. We compare the vortex state of superconducting disks, squares, and triangles with the same surface area having nonzero thickness. The coupled nonlinear Ginzburg-Landau equations are solved self-consistently and the important demagnetization effects are taken into account. We calculate and compare quantities such as the free energy, the magnetization, the Cooper-pair density, the magnetic field distribution, and the superconducting current density for the three geometries. For given vorticity the vortex lattice is different for the three geometries, i.e., it tries to adapt to the geometry of the sample. This also influences the stability range of the different vortex states. For certain magnetic field ranges we found a coexistence of a giant vortex placed in the center and single vortices towards the corners of the sample. The H-T phase diagram is obtained for the three investigated geometries and we found that the critical magnetic field is substantially enhanced for the triangle geometry. |
| |
Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
| |
Language |
|
Wos |
000174548300111 |
Publication Date |
2002-07-27 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
0163-1829;1095-3795; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
3.836 |
Times cited |
189 |
Open Access |
|
| |
Notes |
|
Approved |
Most recent IF: 3.836; 2002 IF: NA |
| |
Call Number |
UA @ lucian @ c:irua:102833 |
Serial |
645 |
| Permanent link to this record |
| |
|
| |
|
Author |
Vodolazov, D.Y.; Baelus, B.J.; Peeters, F.M. |
| |
Title |
Stationary-phase slip state in quasi-one-dimensional rings |
Type |
A1 Journal article |
| |
Year |
2002 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| |
Volume |
66 |
Issue |
5 |
Pages |
054531-54536 |
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| |
Abstract |
The nonuniform superconducting state in a ring in which the order parameter vanishing at one point is studied. This state is characterized by a jump of the phase by pi at the point where the order parameter becomes zero. In uniform rings such a state is a saddle-point state and consequently unstable. However, for nonuniform rings with, e.g., variations of geometrical or physical parameters or with attached wires this state can be stabilized and may be realized experimentally. |
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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 |
|
Wos |
000177873000137 |
Publication Date |
2002-10-01 |
| |
Series Editor |
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Series Title |
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Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
0163-1829;1095-3795; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
3.836 |
Times cited |
29 |
Open Access |
|
| |
Notes |
|
Approved |
Most recent IF: 3.836; 2002 IF: NA |
| |
Call Number |
UA @ lucian @ c:irua:104147 |
Serial |
3152 |
| Permanent link to this record |
| |
|
| |
|
Author |
Baelus, B.J.; Yampolskii, S.V.; Peeters, F.M.; Montevecchi, E.; Indekeu, J.O. |
| |
Title |
Superconducting properties of mesoscopic cylinders with enhanced surface superconductivity |
Type |
A1 Journal article |
| |
Year |
2002 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| |
Volume |
65 |
Issue |
2 |
Pages |
024510-10 |
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| |
Abstract |
The superconducting state of an infinitely long superconducting cylinder surrounded by a medium which enhances its superconductivity near the boundary is studied within the nonlinear Ginzburg-Landau theory. This enhancement can be due to the proximity of another superconductor or due to surface treatment. Quantities such as the free energy, the magnetization and the Cooper-pair density are calculated. Phase diagrams are obtained to investigate how the critical field and the critical temperature depend on this surface enhancement for different values of the Ginzburg-Landau parameter kappa. Increasing the superconductivity near the surface leads to higher critical fields and critical temperatures. For small cylinder diameters only giant vortex states nucleate, while for larger cylinders multivortices can nucleate. The stability of these multivortex states also depends on the surface enhancement. For type-I superconductors we found the remarkable result that for a range of values of the surface extrapolation length the superconductor can transit from the Meissner state into superconducting states with vorticity L > 1. Such a behavior is not found for the case of large kappa, i.e., type-II superconductivity, |
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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 |
000173213100099 |
Publication Date |
2002-07-27 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
0163-1829;1095-3795; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
3.836 |
Times cited |
13 |
Open Access |
|
| |
Notes |
|
Approved |
Most recent IF: 3.836; 2002 IF: NA |
| |
Call Number |
UA @ lucian @ c:irua:103890 |
Serial |
3363 |
| Permanent link to this record |
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|
| |
|
Author |
Palacios, J.J.; Peeters, F.M.; Baelus, B.J. |
| |
Title |
An effective lowest Landau level treatment of demagnetization in superconducting mesoscopic disks |
Type |
A1 Journal article |
| |
Year |
2001 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| |
Volume |
64 |
Issue |
|
Pages |
134514 |
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
|
| |
Address |
|
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Corporate Author |
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Thesis |
|
| |
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
| |
Language |
|
Wos |
000171426700097 |
Publication Date |
2002-07-27 |
| |
Series Editor |
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Series Title |
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Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
0163-1829;1095-3795; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
3.836 |
Times cited |
4 |
Open Access |
|
| |
Notes |
|
Approved |
Most recent IF: 3.836; 2001 IF: NA |
| |
Call Number |
UA @ lucian @ c:irua:37283 |
Serial |
852 |
| Permanent link to this record |
| |
|
| |
|
Author |
Yampolskii, S.V.; Peeters, F.M.; Baelus, B.J.; Fink, H.J. |
| |
Title |
Effective radius of superconducting rings and hollow cylinders |
Type |
A1 Journal article |
| |
Year |
2001 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| |
Volume |
64 |
Issue |
|
Pages |
052504 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
|
| |
Address |
|
| |
Corporate Author |
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Thesis |
|
| |
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
| |
Language |
|
Wos |
000170267000018 |
Publication Date |
2002-07-27 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
0163-1829;1095-3795; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
3.836 |
Times cited |
8 |
Open Access |
|
| |
Notes |
|
Approved |
Most recent IF: 3.836; 2001 IF: NA |
| |
Call Number |
UA @ lucian @ c:irua:37290 |
Serial |
854 |
| Permanent link to this record |
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|
| |
|
Author |
Baelus, B.J.; Peeters, F.M.; Schweigert, V.A. |
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Title |
Saddle point states and energy barriers for vortex entrance and exit in superconducting disks and rings |
Type |
A1 Journal article |
| |
Year |
2001 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| |
Volume |
63 |
Issue |
|
Pages |
144517 |
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| |
Abstract |
|
| |
Address |
|
| |
Corporate Author |
|
Thesis |
|
| |
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
| |
Language |
|
Wos |
000168059800097 |
Publication Date |
2002-07-27 |
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
0163-1829;1095-3795; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
3.836 |
Times cited |
86 |
Open Access |
|
| |
Notes |
|
Approved |
Most recent IF: 3.836; 2001 IF: NA |
| |
Call Number |
UA @ lucian @ c:irua:37294 |
Serial |
2938 |
| Permanent link to this record |
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|
| |
|
Author |
Yampolskii, S.V.; Baelus, B.J.; Peeters, F.M.; Kolá·ek, J. |
| |
Title |
Vortex charge in mesoscopic superconductors |
Type |
A1 Journal article |
| |
Year |
2001 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| |
Volume |
64 |
Issue |
|
Pages |
144511 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
|
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Address |
|
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Corporate Author |
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Thesis |
|
| |
Publisher |
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Place of Publication |
Lancaster, Pa |
Editor |
|
| |
Language |
|
Wos |
000171530000084 |
Publication Date |
2002-07-27 |
| |
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 |
0163-1829;1095-3795; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
3.836 |
Times cited |
14 |
Open Access |
|
| |
Notes |
|
Approved |
Most recent IF: 3.836; 2001 IF: NA |
| |
Call Number |
UA @ lucian @ c:irua:37282 |
Serial |
3861 |
| Permanent link to this record |
| |
|
| |
|
Author |
Baelus, B.J.; Peeters, F.M.; Schweigert, V.A. |
| |
Title |
Vortex states in superconducting rings |
Type |
A1 Journal article |
| |
Year |
2000 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
| |
Volume |
61 |
Issue |
14 |
Pages |
9734-9747 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| |
Abstract |
The superconducting state. of a thin superconducting disk with a hole is studied within the, nonlinear Ginzburg-Landau theory in which the demagnetization effect is accurately taken into account. We find that the flux through the hole is not quantized, the superconducting state is stabilized with increasing size of the hole for fixed radius of the disk, and a transition to a multivortex state is found if the disk is sufficiently large. Breaking the circular symmetry through a non-central-location of the hole in the disk favors the multivortex state. |
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Address |
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Corporate Author |
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Thesis |
|
| |
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
| |
Language |
|
Wos |
000086441800074 |
Publication Date |
2002-07-27 |
| |
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 |
0163-1829;1095-3795; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
3.836 |
Times cited |
78 |
Open Access |
|
| |
Notes |
|
Approved |
Most recent IF: 3.836; 2000 IF: NA |
| |
Call Number |
UA @ lucian @ c:irua:28514 |
Serial |
3892 |
| Permanent link to this record |
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| |
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Author |
Stosic, D.; Mulkers, J.; Van Waeyenberge, B.; Ludermir, T.B.; Milošević, M.V. |
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Title |
Paths to collapse for isolated skyrmions in few-monolayer ferromagnetic films |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
| |
Volume |
95 |
Issue |
21 |
Pages |
214418 |
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| |
Abstract |
Magnetic skyrmions are topological spin configurations in materials with chiral Dzyaloshinskii-Moriya interaction (DMI), that are potentially useful for storing or processing information. To date, DMI has been found in few bulk materials, but can also be induced in atomically thin magnetic films in contact with surfaces with large spin-orbit interactions. Recent experiments have reported that isolated magnetic skyrmions can be stabilized even near room temperature in few-atom-thick magnetic layers sandwiched between materials that provide asymmetric spin-orbit coupling. Here we present the minimum-energy path analysis of three distinct mechanisms for the skyrmion collapse, based on ab initio input and the performed atomic-spin simulations. We focus on the stability of a skyrmion in three atomic layers of Co, either epitaxial on the Pt(111) surface or within a hybrid multilayer where DMI nontrivially varies per monolayer due to competition between different symmetry breaking from two sides of the Co film. In laterally finite systems, their constrained geometry causes poor thermal stability of the skyrmion toward collapse at the boundary, which we show to be resolved by designing the high-DMI structure within an extended film with lower or no DMI. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
|
Editor |
|
| |
Language |
|
Wos |
000404015500001 |
Publication Date |
2017-06-23 |
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Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
3.836 |
Times cited |
48 |
Open Access |
|
| |
Notes |
This work was supported by the Research Foundation, Flanders (FWO-Vlaanderen) and Brazilian agency CNPq (Grants No. 442668/2014-7 and No. 140840/2016-8). |
Approved |
Most recent IF: 3.836 |
| |
Call Number |
CMT @ cmt @c:irua:144865 |
Serial |
4704 |
| Permanent link to this record |
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Author |
Madan, I.; Kusar, P.; Baranov, V.V.; Lu-Dac, M.; Kabanov, V.V.; Mertelj, T.; Mihailovic, D. |
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Title |
Real-time measurement of the emergence of superconducting order in a high-temperature superconductor |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
| |
Volume |
93 |
Issue |
22 |
Pages |
224520 |
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| |
Abstract |
Systems which rapidly evolve through symmetry-breaking transitions on timescales comparable to the fluctuation timescale of the single-particle excitations may behave very differently than under controlled near-ergodic conditions. A real-time investigation with high temporal resolution may reveal insights into the ordering through the transition that are not available in static experiments. We present an investigation of the system trajectory through a normal-to-superconductor transition in a prototype high-temperature superconducting cuprate in which such a situation occurs. Using a multiple pulse femtosecond spectroscopy technique we measure the system trajectory and time evolution of the single-particle excitations through the transition in La1.9Sr0.1CuO4 and compare the data to a simulation based on the time-dependent Ginzburg-Landau theory, using the laser excitation fluence as an adjustable parameter controlling the quench conditions in both experiment and theory. The comparison reveals the presence of significant superconducting fluctuations which precede the transition on short timescales. By including superconducting fluctuations as a seed for the growth of the superconducting order we can obtain a satisfactory agreement of the theory with the experiment. Remarkably, the pseudogap excitations apparently play no role in this process. |
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Address |
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Corporate Author |
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Thesis |
|
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Publisher |
American Physical Society |
Place of Publication |
New York, N.Y |
Editor |
|
| |
Language |
|
Wos |
000378815800003 |
Publication Date |
2016-07-01 |
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Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
2469-9969; 2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
3.836 |
Times cited |
5 |
Open Access |
|
| |
Notes |
; We wish to acknowledge the useful discussion with T. W. Kibble regarding the importance of a variable quench rate in the experiment. The funding was provided by European Research Council advanced grant TRAJECTORY. ; |
Approved |
Most recent IF: 3.836 |
| |
Call Number |
UA @ lucian @ c:irua:144701 |
Serial |
4683 |
| Permanent link to this record |
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|
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Author |
Stosic, D.; Ludermir, T.B.; Milošević, M.V. |
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Title |
Pinning of magnetic skyrmions in a monolayer Co film on Pt(111) : Theoretical characterization and exemplified utilization |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
| |
Volume |
96 |
Issue |
21 |
Pages |
214403 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
<script type='text/javascript'>document.write(unpmarked('Magnetic skyrmions are nanoscale windings of the spin structure that can be observed in chiral magnets and hold promise for potential applications in storing or processing information. Pinning due to ever-present material imperfections crucially affects the mobility of skyrmions. Therefore, a proper understanding of how magnetic skyrmions pin to defects is necessary for the development and performance of spintronic devices. Here we present a fundamental analysis on the interactions of single skyrmions with atomic defects of distinctly different origins, in a Co monolayer on Pt, based on minimum-energy paths considerations and atomic-spin simulations. We first report the preferred pinning loci of the skyrmion as a function of its nominal size and the type of defect being considered, to further reveal the manipulation and \u0022breathing\u0022 of skyrmion core in the vicinity of a defect. We also show the behavior of skyrmions in the presence of an extended defect of particular geometry, that can lead to ratcheted skyrmion motion or a facilitated guidance on a defect \u0022trail.\u0022 We close the study with reflections on the expected thermal stability of the skyrmion against collapse on itself for a given nature of the defect, and discuss the applications where control of skyrmions by defects is of particular interest.')); |
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Address |
|
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Corporate Author |
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Thesis |
|
| |
Publisher |
American Physical Society |
Place of Publication |
New York, N.Y |
Editor |
|
| |
Language |
|
Wos |
000416846900002 |
Publication Date |
2017-12-01 |
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Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
2469-9969; 2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
3.836 |
Times cited |
52 |
Open Access |
|
| |
Notes |
; This work was supported by the Research Foundation, Flanders (FWO-Vlaanderen) and Brazilian agency CNPq (Grants No. 442668/2014-7 and No. 140840/2016-8). ; |
Approved |
Most recent IF: 3.836 |
| |
Call Number |
UA @ lucian @ c:irua:147684 |
Serial |
4890 |
| Permanent link to this record |
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Author |
Kuo, C.-T.; Lin, S.-C.; Ghiringhelli, G.; Peng, Y.; De Luca, G.M.; Di Castro, D.; Betto, D.; Gehlmann, M.; Wijnands, T.; Huijben, M.; Meyer-Ilse, J.; Gullikson, E.; Kortright, J.B.; Vailionis, A.; Gauquelin, N.; Verbeeck, J.; Gerber, T.; Balestrino, G.; Brookes, N.B.; Braicovich, L.; Fadley, C.S. |
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Title |
Depth-resolved resonant inelastic x-ray scattering at a superconductor/half-metallic-ferromagnet interface through standing wave excitation |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
| |
Volume |
98 |
Issue |
23 |
Pages |
235146 |
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| |
Abstract |
We demonstrate that combining standing wave (SW) excitation with resonant inelastic x-ray scattering (RIXS) can lead to depth resolution and interface sensitivity for studying orbital and magnetic excitations in correlated oxide heterostructures. SW-RIXS has been applied to multilayer heterostructures consisting of a superconductor La1.85Sr0.15CuO4 (LSCO) and a half-metallic ferromagnet La0.67Sr0.33MnO3 (LSMO). Easily observable SW effects on the RIXS excitations were found in these LSCO/LSMO multilayers. In addition, we observe different depth distribution of the RIXS excitations. The magnetic excitations are found to arise from the LSCO/LSMO interfaces, and there is also a suggestion that one of the dd excitations comes from the interfaces. SW-RIXS measurements of correlated-oxide and other multilayer heterostructures should provide unique layer-resolved insights concerning their orbital and magnetic excitations, as well as a challenge for RIXS theory to specifically deal with interface effects. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
|
Editor |
|
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Language |
|
Wos |
000454160800004 |
Publication Date |
2018-12-21 |
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Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
2469-9969; 2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
3.836 |
Times cited |
5 |
Open Access |
|
| |
Notes |
J.V. and N.G. acknowledge ˝ funding through the GOA project “Solarpaint” of the University of Antwerp. The microscope used in this work was partly funded by the Hercules Fund from the Flemish Government. |
Approved |
Most recent IF: 3.836 |
| |
Call Number |
UA @ admin @ c:irua:156784 |
Serial |
5363 |
| Permanent link to this record |
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Author |
Demiroglu, I.; Sevik, C. |
| |
Title |
Extraordinary negative thermal expansion of two-dimensional nitrides : a comparative ab initio study of quasiharmonic approximation and molecular dynamics simulations |
Type |
A1 Journal article |
| |
Year |
2021 |
Publication |
Physical Review B |
Abbreviated Journal |
Phys Rev B |
| |
Volume |
103 |
Issue |
8 |
Pages |
085430 |
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| |
Abstract |
Thermal expansion behavior of two-dimensional (2D) nitrides and graphene were studied by ab initio molecular dynamics (MD) simulations as well as quasiharmonic approximation (QHA). Anharmonicity of the acoustic phonon modes are related to the unusual negative thermal expansion (NTE) behavior of the nitrides. Our results also hint that direct ab initio MD simulations are a more elaborate method to investigate thermal expansion behavior of 2D materials than the QHA. Nevertheless, giant NTE coefficients are found for h-GaN and h-AlN within the covered temperature range 100-600 K regardless of the chosen computational method. This unusual NTE of 2D nitrides is reasoned with the out-of-plane oscillations related to the rippling behavior of the monolayers. |
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Address |
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Corporate Author |
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Thesis |
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| |
Publisher |
|
Place of Publication |
|
Editor |
|
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Language |
|
Wos |
000620346100007 |
Publication Date |
2021-02-22 |
| |
Series Editor |
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Series Title |
|
Abbreviated Series Title |
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
| |
ISSN |
2469-9969; 2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| |
Impact Factor |
3.836 |
Times cited |
|
Open Access |
OpenAccess |
| |
Notes |
|
Approved |
Most recent IF: 3.836 |
| |
Call Number |
UA @ admin @ c:irua:176671 |
Serial |
7956 |
| Permanent link to this record |
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| |
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Author |
Cai, Y.; Michiels, R.; De Luca, F.; Neyts, E.; Tu, X.; Bogaerts, A.; Gerrits, N. |
| |
Title |
Improving Molecule–Metal Surface Reaction Networks Using the Meta-Generalized Gradient Approximation: CO2Hydrogenation |
Type |
A1 Journal Article |
| |
Year |
2024 |
Publication |
The Journal of Physical Chemistry C |
Abbreviated Journal |
J. Phys. Chem. C |
| |
Volume |
128 |
Issue |
21 |
Pages |
8611-8620 |
| |
Keywords |
A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ; |
| |
Abstract |
Density functional theory is widely used to gain insights into molecule−metal surface reaction networks, which is important for a better understanding of catalysis. However, it is well-known that generalized gradient approximation (GGA)
density functionals (DFs), most often used for the study of reaction networks, struggle to correctly describe both gas-phase molecules and metal surfaces. Also, GGA DFs typically underestimate reaction barriers due to an underestimation of the selfinteraction energy. Screened hybrid GGA DFs have been shown to reduce this problem but are currently intractable for wide usage. In this work, we use a more affordable meta-GGA (mGGA) DF in combination with a nonlocal correlation DF for the first time to study and gain new insights into a catalytically important surface
reaction network, namely, CO2 hydrogenation on Cu. We show that the mGGA DF used, namely, rMS-RPBEl-rVV10, outperforms typical GGA DFs by providing similar or better predictions for metals and molecules, as well as molecule−metal surface adsorption
and activation energies. Hence, it is a better choice for constructing molecule−metal surface reaction networks. |
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Publication Date |
2024-05-30 |
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ISSN |
1932-7447 |
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Impact Factor |
3.7 |
Times cited |
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Open Access |
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Notes |
H2020 Marie Sklodowska-Curie Actions, 813393 ; Fonds Wetenschappelijk Onderzoek, 1114921N ; H2020 European Research Council, 810182 ; Nederlandse Organisatie voor Wetenschappelijk Onderzoek, 019.202EN.012 ; |
Approved |
Most recent IF: 3.7; 2024 IF: 4.536 |
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Call Number |
PLASMANT @ plasmant @ |
Serial |
9248 |
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Author |
Zuniga-Puelles, E.; Levytskyi, V.; Özden, A.; Guerel, T.; Bulut, N.; Himcinschi, C.; Sevik, C.; Kortus, J.; Gumeniuk, R. |
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Title |
Thermoelectric properties and scattering mechanisms in natural PbS |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Physical review B |
Abbreviated Journal |
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Volume |
107 |
Issue |
19 |
Pages |
195203-195215 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
X-ray diffraction and energy dispersive x-ray spectroscopic analyses showed a natural galena (PbS) crystal from Freiberg in Saxony (Germany) to be a single phase specimen [rock salt (NaCl) structure type, space group Fm3m, a = 5.932(1) angstrom] with stoichiometric composition and an enhanced dislocation density (8 approximate to 1011 cm-2). The latter parameter leads to an increase of the electrical resistivity in the high-temperature regime, as well as to the appearance of phonon resonance with a characteristic frequency coPR = 3.8(1) THz. Being in the same range (i.e., 3-5.5 THz) with the sulfur optical modes of highest group velocities, it results in a drastic reduction (by similar to 75%) of thermal conductivity (K) at lower temperatures (i.e., < 100 K), as well as in the appearance of a characteristic minimum in K at T approximate to 30 K. Furthermore, the studied galena is characterized by phonon-drag behavior and by temperature dependent switch of the charge carrier scattering mechanism regime (i.e., scattering on dislocations for T < 100 K, on acoustic phonons for 100 K < T < 170 K and on both acoustic and optical phonons for 170 K < T < 300 K). The combined theoretical calculation and optical spectroscopic study confirm this mineral to be a direct gap degenerate semiconductor. The possible origins of the second-order Raman spectrum are discussed. |
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001009980400008 |
Publication Date |
2023-05-30 |
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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 |
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Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: 3.7; 2023 IF: 3.836 |
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Call Number |
UA @ admin @ c:irua:197808 |
Serial |
8943 |
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Author |
Siriwardane, E.M.D.; Demiroglu, I.; Sevik, C.; Peeters, F.M.; Çakir, D. |
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Title |
Assessment of sulfur-functionalized MXenes for li-ion battery applications |
Type |
A1 Journal article |
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Year |
2020 |
Publication |
Journal Of Physical Chemistry C |
Abbreviated Journal |
J Phys Chem C |
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Volume |
124 |
Issue |
39 |
Pages |
21293-21304 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
The surface termination of MXenes greatly determines the electrochemical properties and ion kinetics on their surfaces. So far, hydroxyl-, oxygen-, and fluorine-terminated MXenes have been widely studied for energy storage applications. Recently, sulfur-functionalized MXene structures, which possess low diffusion barriers, have been proposed as candidate materials to enhance battery performance. We performed first-principles calculations on the structural, stability, electrochemical, and ion dynamic properties of Li-adsorbed sulfur-functionalized groups 3B, 4B, 5B, and 6B transition-metal (M)-based MXenes (i.e., M2CS2 with M = Sc, Ti, Zr, Hf, V, Nb, Ta, Cr, Mo, and W). We performed phonon calculations, which indicated that all of the above M2CS2 MXenes, except for Sc, are dynamically stable at T = 0 K. The ground-state structure of each M2CS2 monolayer depends on the type of M atom. For instance, while sulfur prefers to sit at the FCC site on Ti2CS2, it occupies the HCP site of Cr-based MXene. We determined the Li adsorption configurations at different concentrations using the cluster expansion method. The highest maximum open-circuit voltages were computed for the group 4B element (i.e., Ti, Zr, and Hf)-based M2CS2, which are larger than 2.1 V, while their average voltages are approximately 1 V. The maximum voltage for the group 6B element (i.e., Cr, Mo, W)-based M2CS2 is less than 1 V, and the average voltage is less than 0.71 V. We found that S functionalization is helpful for capacity improvements over the O-terminated MXenes. In this respect, the computed storage gravimetric capacity may reach up to 417.4 mAh/g for Ti2CS2 and 404.5 mAh/g for V2CS2. Ta-, Cr-, Mo-, and W-based M2CS2 MXenes show very low capacities, which are less than 100 mAh/g. The Li surface diffusion energy barriers for all of the considered MXenes are less than 0.22 eV, which is favorable for high charging and discharging rates. Finally, ab initio molecular dynamic simulations performed at 400 K and bond-length analysis with respect to Li concentration verify that selected promising systems are robust against thermally induced perturbations that may induce structural transformations or distortions and undesirable Li release. |
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000577151900008 |
Publication Date |
2020-09-01 |
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ISSN |
1932-7447; 1932-7455 |
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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 |
24 |
Open Access |
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Notes |
; Computational resources were provided by the HPC infrastructure of the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules Foundation. This work was supported, in part, by The Scientific and Technological Research Council of Turkey (TUBITAK) under contract no. 118F512 and the Air Force Office of Scientific Research under award no. FA9550-19-1-7048. This work was performed in part at the Center for Nanoscale Materials, a U.S. Department of Energy Office of Science User. Use of the Center for Nanoscale Materials, an Office of Science user facility, was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under contract no. DE-AC02-06CH11357. This work was supported, in part, by The Scientific and Technological Research Council of Turkey (TUBITAK) under contract no. 118C026. ; |
Approved |
Most recent IF: 3.7; 2020 IF: 4.536 |
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Call Number |
UA @ admin @ c:irua:172693 |
Serial |
6452 |
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Author |
Plumadore, R.; Baskurt, M.; Boddison-Chouinard, J.; Lopinski, G.; Modarresi, M.; Potasz, P.; Hawrylak, P.; Sahin, H.; Peeters, F.M.; Luican-Mayer, A. |
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Title |
Prevalence of oxygen defects in an in-plane anisotropic transition metal dichalcogenide |
Type |
A1 Journal article |
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Year |
2020 |
Publication |
Physical Review B |
Abbreviated Journal |
Phys Rev B |
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Volume |
102 |
Issue |
20 |
Pages |
205408 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Atomic scale defects in semiconductors enable their technological applications and realization of different quantum states. Using scanning tunneling microscopy and spectroscopy complemented by ab initio calculations we determine the nature of defects in the anisotropic van der Waals layered semiconductor ReS2. We demonstrate the in-plane anisotropy of the lattice by directly visualizing chains of rhenium atoms forming diamond-shaped clusters. Using scanning tunneling spectroscopy we measure the semiconducting gap in the density of states. We reveal the presence of lattice defects and by comparison of their topographic and spectroscopic signatures with ab initio calculations we determine their origin as oxygen atoms absorbed at lattice point defect sites. These results provide an atomic-scale view into the semiconducting transition metal dichalcogenides, paving the way toward understanding and engineering their properties. |
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000587595800007 |
Publication Date |
2020-11-09 |
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ISSN |
2469-9969; 2469-9950 |
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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 |
9 |
Open Access |
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Notes |
; The authors acknowledge funding from National Sciences and Engineering Research Council (NSERC) Discovery Grant No. RGPIN-2016-06717. We also acknowledge the support of the Natural Sciences and Engineering Research Council of Canada (NSERC) through QC2DM Strategic Project No. STPGP 521420. P.H. thanks uOttawa Research Chair in Quantum Theory of Materials for support. P.P. acknowledges partial financial support from National Science Center (NCN), Poland, Grant Maestro No. 2014/14/A/ST3/00654, and calculations were performed in theWroclaw Center for Networking and Supercomputing. H.S. acknowledges financial support from TUBITAK under Project No. 117F095 and from Turkish Academy of Sciences under the GEBIP program. Our computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid eInfrastructure). ; |
Approved |
Most recent IF: 3.7; 2020 IF: 3.836 |
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Call Number |
UA @ admin @ c:irua:173525 |
Serial |
6584 |
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