| |
Records |
Links |
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Author |
Bals, S.; Rijnders, G.; Blank, D.H.A.; Van Tendeloo, G. |
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| |
Title |
TEM of ultra-thin DyBa2Cu3O7-x films deposited on TiO2 terminated SrTiO3 |
Type |
A1 Journal article |
| |
Year |
2001 |
Publication  |
Physica: C : superconductivity |
Abbreviated Journal |
Physica C |
|
| |
Volume |
355 |
Issue |
3/4 |
Pages |
225-230 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
Using pulsed laser deposition ultra-thin DyBa2Cu3O7-x films were deposited on a single terminated (0 0 1) SrTiOr(3) substrate. The initial growth was studied by high-resolution electron microscopy. Two different types of interface arrangements occur and were determined as: bulk-SrO-TiO2-BaO-CuO-BaO-CuO2-Dy-CuO2-BaO bulk and bulk-SrO-TiO2-BaO-CuO2-Dy-CuO2-BaO-CuO-BaO-bulk This variable growth sequence causes structural shifts, resulting in antiphase boundaries with displacement vector R = [0 0 1/3]. as well as local chemical variations. (C) 2001 Elsevier Science 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 |
Amsterdam |
Editor |
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Language |
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Wos |
000169479500006 |
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 |
|
Edition |
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|
| |
ISSN |
0921-4534; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
1.404 |
Times cited |
26 |
Open Access |
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| |
Notes |
|
Approved |
Most recent IF: 1.404; 2001 IF: 0.806 |
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| |
Call Number |
UA @ lucian @ c:irua:54793 |
Serial |
3484 |
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| Permanent link to this record |
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| |
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Author |
Verbist, K.; Van Tendeloo, G.; Ye, M.; Mehbod, M.; Deltour, R. |
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| |
Title |
TEM study of YBa2Cu3O7-x thin films with Zn and Fe |
Type |
A1 Journal article |
| |
Year |
1994 |
Publication |
Physica: C : superconductivity |
Abbreviated Journal |
Physica C |
|
| |
Volume |
235 |
Issue |
1 |
Pages |
663-664 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
Analytical and high resolution electron microscopy have been used to study the effect of Zn- and Fe-doping on the micro structure of [001] YBa2Cu3O7-x thin films on [001] MgO substrates grown by magnetron sputtering. Special attention was paid to the presence of second phase inclusions and surface outgrowths such as CuO, Y2Ba1Cu1O5-x, Y2O3 in order to establish a relationship with the critical current density. |
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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 |
A1994QA39000261 |
Publication Date |
2002-10-17 |
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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 |
0921-4534; |
ISBN |
|
Additional Links |
UA library record; WoS full record |
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| |
Impact Factor |
0.942 |
Times cited |
|
Open Access |
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| |
Notes |
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Approved |
no |
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| |
Call Number |
UA @ lucian @ c:irua:10047 |
Serial |
3492 |
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| Permanent link to this record |
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| |
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Author |
Krekels, T.; Milat, O.; Van Tendeloo, G.; van Landuyt, J.; Amelinckx, S.; Slater, P.R.; Greaves, C. |
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| |
Title |
SO4-chain formation and ordering in [YSrCa]Sr2Cu2.78(SO4)0.22O7-\delta |
Type |
A1 Journal article |
| |
Year |
1993 |
Publication |
Physica: C : superconductivity |
Abbreviated Journal |
Physica C |
|
| |
Volume |
210 |
Issue |
3-4 |
Pages |
439-446 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
YBCO-based materials containing SO4-tetrahedra centered on the Cu(1)-sites of the CuO-chain plane have been examined by means of electron diffraction and high resolution electron microscopy. An incommensurate modulation is observed and attributed to the ordering of b-oriented SO4-rich chains in the Cu(1)-S-O-layer, described in terms of an SO4-concentration wave. |
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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 |
A1993LG46100018 |
Publication Date |
2002-10-17 |
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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 |
0921-4534; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
0.942 |
Times cited |
18 |
Open Access |
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| |
Notes |
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Approved |
PHYSICS, APPLIED 47/145 Q2 # |
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| |
Call Number |
UA @ lucian @ c:irua:102977 |
Serial |
3557 |
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| Permanent link to this record |
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| |
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Author |
Milošević, M.V.; Geurts, R. |
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| |
Title |
The Ginzburg-Landau theory in application |
Type |
A1 Journal article |
| |
Year |
2010 |
Publication |
Physica: C : superconductivity |
Abbreviated Journal |
Physica C |
|
| |
Volume |
470 |
Issue |
19 |
Pages |
791-795 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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| |
Abstract |
A numerical approach to GinzburgLandau (GL) theory is demonstrated and we review its applications to several examples of current interest in the research on superconductivity. This analysis also shows the applicability of the two-dimensional approach to thin superconductors and the re-defined effective GL parameter κ. For two-gap superconductors, the conveniently written GL equations directly show that the magnetic behavior of the sample depends not just on the GL parameter of two bands, but also on the ratio of respective coherence lengths. |
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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 |
000282454400020 |
Publication Date |
2010-02-21 |
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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 |
|
Edition |
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|
| |
ISSN |
0921-4534; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
1.404 |
Times cited |
66 |
Open Access |
|
|
| |
Notes |
; ; |
Approved |
Most recent IF: 1.404; 2010 IF: 1.415 |
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| |
Call Number |
UA @ lucian @ c:irua:85033 |
Serial |
3583 |
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| Permanent link to this record |
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| |
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Author |
Komendová, L.; Shanenko, A.A.; Milošević, M.V.; Peeters, F.M. |
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| |
Title |
The healing lengths in two-band superconductors in extended Ginzburg-Landau theory |
Type |
A1 Journal article |
| |
Year |
2012 |
Publication |
Physica: C : superconductivity |
Abbreviated Journal |
Physica C |
|
| |
Volume |
479 |
Issue |
|
Pages |
126-129 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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| |
Abstract |
We study the vortex profiles in two-gap superconductors using the extended Ginzburg-Landau theory. The results shed more light on the disparity between the effective length scales in two bands. We compare the behavior expected from the standard Ginzburg-Landau theory with this new approach, and find good qualitative agreement in the case of LiFeAs. (C) 2011 Elsevier 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 |
000308580600029 |
Publication Date |
2012-01-04 |
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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 |
0921-4534; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
1.404 |
Times cited |
1 |
Open Access |
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| |
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl), the Belgian Science Policy (IAP), and the ESF-INSTANS network. ; |
Approved |
Most recent IF: 1.404; 2012 IF: 0.718 |
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| |
Call Number |
UA @ lucian @ c:irua:101871 |
Serial |
3585 |
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| Permanent link to this record |
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| |
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Author |
Schweigert, V.A.; Peeters, F.M. |
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| |
Title |
Transitions between different superconducting states in mesoscopic disks |
Type |
A1 Journal article |
| |
Year |
2000 |
Publication |
Physica: C : superconductivity |
Abbreviated Journal |
Physica C |
|
| |
Volume |
144 |
Issue |
|
Pages |
266-271 |
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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 |
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| |
Publisher |
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Place of Publication |
Amsterdam |
Editor |
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| |
Language |
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Wos |
000087245200047 |
Publication Date |
2002-07-26 |
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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 |
0921-4534; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
1.404 |
Times cited |
24 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 1.404; 2000 IF: 1.489 |
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| |
Call Number |
UA @ lucian @ c:irua:28521 |
Serial |
3701 |
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| Permanent link to this record |
| |
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| |
|
Author |
Gottschalck Andersen, L.; Bals, S.; Van Tendeloo, G.; Poulsen, H.F.; Liu, Y.L. |
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| |
Title |
Transmission electron microscopy investigation of Bi-2223/Ag tapes |
Type |
A1 Journal article |
| |
Year |
2001 |
Publication |
Physica: C : superconductivity |
Abbreviated Journal |
Physica C |
|
| |
Volume |
353 |
Issue |
3/4 |
Pages |
251-257 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
The microstructure of (Bi,Pb)2Sr2Ca2Cu3Ox (Bi-2223) tapes has been investigated by means of transmission electron microscopy (TEM) and high-resolution TEM. The emphasis has been placed on: (1) an examination of the grain morphology and size, (2) grain and colony boundary angles, which are formed during the tape processing, (3) a study of the grain boundaries on an atomic scale, including intergrowth investigations. Tapes with different process parameters have been compared with respect to the microstructure. A fully processed tape has on the average 50% thicker Bi-2223 grains than a tape after the first annealing. The angles of c-axis tilt grain boundaries are on average 14° and 26° for the fully processed tape and the tape after the first annealing, respectively. The intergrowth content (15%) and distribution are similar in these two tapes. |
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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 |
000168861100012 |
Publication Date |
2002-07-25 |
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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 |
0921-4534; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
1.404 |
Times cited |
13 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 1.404; 2001 IF: 0.806 |
|
| |
Call Number |
UA @ lucian @ c:irua:87591 |
Serial |
3708 |
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| Permanent link to this record |
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| |
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Author |
Doria, M.M.; Romaguera, A.R. de C.; Milošević, M.V.; Peeters, F.M. |
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| |
Title |
Triplet vortex state in magnetic superconductors: effects of boundaries |
Type |
A1 Journal article |
| |
Year |
2008 |
Publication |
Physica: C : superconductivity |
Abbreviated Journal |
Physica C |
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| |
Volume |
468 |
Issue |
7-10 |
Pages |
572-575 |
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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 |
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| |
Publisher |
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Place of Publication |
Amsterdam |
Editor |
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| |
Language |
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Wos |
000257355300016 |
Publication Date |
2008-03-11 |
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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 |
0921-4534; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
1.404 |
Times cited |
1 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 1.404; 2008 IF: 0.740 |
|
| |
Call Number |
UA @ lucian @ c:irua:69622 |
Serial |
3736 |
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| Permanent link to this record |
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| |
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Author |
Zhang, X.F.; Van Tendeloo, G.; Ge, S.L.; Emmen, J.H.P.M.; Brabers, V.A.M. |
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| |
Title |
Two phase intergrowth in Bi2Sr2Ca0.6Y0.4Cu2Oy single crystals |
Type |
A1 Journal article |
| |
Year |
1993 |
Publication |
Physica: C : superconductivity |
Abbreviated Journal |
Physica C |
|
| |
Volume |
215 |
Issue |
1/2 |
Pages |
39-50 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
In Bi2Sr2Ca0.6Y0.4Cu2Oy single crystals we have identified the intergrowth of two phases; a normal Bi2Sr2CaCu2Oy type phase with a 4.6b modulation period and a secondary,phase with a 9.4b modulation period. Both the two phases have orthorhombic basic structures with similar lattice parameters but different symmetries, i.e. Bbmb for the normal phase and Ccca for the secondary phase. The c-parameters of these two phases are found to vary independently upon changing the nominal Y content. The modulation characteristics of the secondary phase implies a close structural relation between the two phases. Both phases are discussed from a structural and a compositional point of view. |
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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 |
|
Wos |
A1993LY97800005 |
Publication Date |
2002-10-17 |
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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 |
0921-4534; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
0.942 |
Times cited |
17 |
Open Access |
|
|
| |
Notes |
|
Approved |
no |
|
| |
Call Number |
UA @ lucian @ c:irua:7506 |
Serial |
3785 |
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| Permanent link to this record |
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| |
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Author |
Misko, V.R.; Lin, N.S.; Peeters, F.M. |
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| |
Title |
Unconventional dynamics of vortex shells in mesoscopic superconducting corbino disks |
Type |
A1 Journal article |
| |
Year |
2010 |
Publication |
Physica: C : superconductivity |
Abbreviated Journal |
Physica C |
|
| |
Volume |
470 |
Issue |
19 |
Pages |
939-941 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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| |
Abstract |
The dynamics of vortex matter in mesoscopic superconducting Corbino disk is strongly influenced by the discrete vortex structure arranged in shells. While in previous works the vortex dynamics has been studied in large (macroscopic) and in very small mesoscopic disks (containing only few shells), in the intermediate-size regime it is much more complex and unusual, due to: (i) the competition between the vortexvortex interaction and confinement and (ii) (in)commensurability among the vortex shells. We found that the interplay between these effects can result in a very unusual vortex dynamical behavior: (i) unconventional angular melting (i.e., propagating from the boundary, where the shear stress is minimum, towards the center) and (ii) unconventional dynamics of shells (i.e., the inversion of shell velocities with respect to the gradient driving force). This unusual behavior is found for different number of shells. |
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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 |
000282454400059 |
Publication Date |
2010-03-04 |
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| |
Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
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Edition |
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| |
ISSN |
0921-4534; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
1.404 |
Times cited |
3 |
Open Access |
|
|
| |
Notes |
; ; |
Approved |
Most recent IF: 1.404; 2010 IF: 1.415 |
|
| |
Call Number |
UA @ lucian @ c:irua:85036 |
Serial |
3799 |
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| Permanent link to this record |
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| |
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Author |
Milošević, M.V.; Peeters, F.M. |
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| |
Title |
Vortex-antivortex molecules induced by a magnetic disk on top of a superconducting film: influence of the magnet geometry |
Type |
A1 Journal article |
| |
Year |
2004 |
Publication |
Physica: C : superconductivity |
Abbreviated Journal |
Physica C |
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| |
Volume |
404 |
Issue |
|
Pages |
281-284 |
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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 |
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| |
Publisher |
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Place of Publication |
Amsterdam |
Editor |
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| |
Language |
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Wos |
000221211500051 |
Publication Date |
2004-03-19 |
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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 |
0921-4534; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
1.404 |
Times cited |
4 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 1.404; 2004 IF: 1.072 |
|
| |
Call Number |
UA @ lucian @ c:irua:44980 |
Serial |
3857 |
|
| Permanent link to this record |
| |
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| |
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Author |
Milošević, M.V.; Peeters, F.M. |
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| |
Title |
Vortex-antivortex nucleation in superconducting films with arrays of in-plane dipoles |
Type |
A1 Journal article |
| |
Year |
2006 |
Publication |
Physica: C : superconductivity |
Abbreviated Journal |
Physica C |
|
| |
Volume |
437/438 |
Issue |
|
Pages |
208-212 |
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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 |
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| |
Publisher |
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Place of Publication |
Amsterdam |
Editor |
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| |
Language |
|
Wos |
000238395700050 |
Publication Date |
2006-02-10 |
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| |
Series Editor |
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Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
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|
| |
ISSN |
0921-4534; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
1.404 |
Times cited |
16 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 1.404; 2006 IF: 0.792 |
|
| |
Call Number |
UA @ lucian @ c:irua:58359 |
Serial |
3860 |
|
| Permanent link to this record |
| |
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| |
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Author |
Zhao, H.J.; Misko, V.R.; Peeters, F.M. |
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| |
Title |
Vortex configurations with non-monotonic interaction |
Type |
A1 Journal article |
| |
Year |
2012 |
Publication |
Physica: C : superconductivity |
Abbreviated Journal |
Physica C |
|
| |
Volume |
479 |
Issue |
|
Pages |
130-133 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
The pattern formation of the vortex states with non-monotonic inter-vortex interaction is investigated. Our applied model has a short-range repulsive (r < r(c)) and long-range attractive (r > r(c)) potential. We numerically calculate the stable states using molecular-dynamics simulations. The obtained vortex patterns are comparable with the vortices states in low kappa type-II superconductors and recently discovered "type-1.5'' superconductors. We also analyze the nearest neighbor distribution of the obtained patterns. (C) 2012 Published by Elsevier B.V. |
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Address |
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Corporate Author |
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Thesis |
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| |
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
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| |
Language |
|
Wos |
000308580600030 |
Publication Date |
2012-01-06 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
0921-4534; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
1.404 |
Times cited |
9 |
Open Access |
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| |
Notes |
; We acknowledge fruitful discussions with Ernst Helmut Brandt. This work was supported by the "Odysseus'' Program of the Flemish Government and the Flemish Science Foundation (FWO-Vl), the IAP and FWO-Vl. ; |
Approved |
Most recent IF: 1.404; 2012 IF: 0.718 |
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| |
Call Number |
UA @ lucian @ c:irua:101872 |
Serial |
3864 |
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| Permanent link to this record |
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| |
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Author |
Berdiyorov, G.R.; Milošević, M.V.; Peeters, F.M. |
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| |
Title |
Vortex lattice in effective type-I superconducting films with periodic arrays of submicron holes |
Type |
A1 Journal article |
| |
Year |
2006 |
Publication |
Physica: C : superconductivity |
Abbreviated Journal |
Physica C |
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| |
Volume |
437/438 |
Issue |
|
Pages |
25-28 |
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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 |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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| |
Language |
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Wos |
000238395700008 |
Publication Date |
2006-01-31 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
0921-4534; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
1.404 |
Times cited |
8 |
Open Access |
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|
| |
Notes |
|
Approved |
Most recent IF: 1.404; 2006 IF: 0.792 |
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| |
Call Number |
UA @ lucian @ c:irua:58358 |
Serial |
3867 |
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| Permanent link to this record |
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| |
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Author |
Peeters, F.M.; Schweigert, V.A.; Baelus, B.J.; Deo, P.S. |
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| |
Title |
Vortex matter in mesoscopic superconducting disks and rings |
Type |
A1 Journal article |
| |
Year |
2000 |
Publication |
Physica: C : superconductivity |
Abbreviated Journal |
Physica C |
|
| |
Volume |
144 |
Issue |
|
Pages |
255-262 |
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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 |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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| |
Language |
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Wos |
000087245200045 |
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 |
0921-4534; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
1.404 |
Times cited |
45 |
Open Access |
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| |
Notes |
|
Approved |
Most recent IF: 1.404; 2000 IF: 1.489 |
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| |
Call Number |
UA @ lucian @ c:irua:28522 |
Serial |
3871 |
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| Permanent link to this record |
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| |
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Author |
Romaguera, A.R. de C.; Doria, M.M.; Peeters, F.M. |
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| |
Title |
Vortex pattern in a nanoscopic cylinder |
Type |
A1 Journal article |
| |
Year |
2007 |
Publication |
Physica: C : superconductivity |
Abbreviated Journal |
Physica C |
|
| |
Volume |
460 |
Issue |
2 |
Pages |
1234-1235 |
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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 |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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| |
Language |
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Wos |
000249870600244 |
Publication Date |
2007-04-23 |
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| |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
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|
| |
ISSN |
0921-4534; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
1.404 |
Times cited |
1 |
Open Access |
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| |
Notes |
|
Approved |
Most recent IF: 1.404; 2007 IF: 1.079 |
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| |
Call Number |
UA @ lucian @ c:irua:65698 |
Serial |
3876 |
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| Permanent link to this record |
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| |
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Author |
Romaguera, A.R. de C.; Doria, M.M.; Peeters, F.M. |
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| |
Title |
Vortex patterns in a superconducting-ferromagnetic rod |
Type |
A1 Journal article |
| |
Year |
2010 |
Publication |
Physica: C : superconductivity |
Abbreviated Journal |
Physica C |
|
| |
Volume |
470 |
Issue |
19 |
Pages |
871-873 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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| |
Abstract |
A superconducting rod with a magnetic moment on top develops vortices obtained here through 3D calculations of the GinzburgLandau theory. The inhomogeneity of the applied field brings new properties to the vortex patterns that vary according to the rod thickness. We find that for thin rods (disks) the vortex patterns are similar to those obtained in presence of a homogeneous magnetic field instead because they consist of giant vortex states. For thick rods novel patterns are obtained as vortices are curve lines in space that exit through the lateral surface. |
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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 |
000282454400039 |
Publication Date |
2010-03-04 |
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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 |
|
Edition |
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| |
ISSN |
0921-4534; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
1.404 |
Times cited |
1 |
Open Access |
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| |
Notes |
; ; |
Approved |
Most recent IF: 1.404; 2010 IF: 1.415 |
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| |
Call Number |
UA @ lucian @ c:irua:85035 |
Serial |
3878 |
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| Permanent link to this record |
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Author |
Fernández Becerra, V.; Milošević, M.V. |
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| |
Title |
Dynamics of skyrmions and edge states in the resistive regime of mesoscopic p-wave superconductors |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Physica: C : superconductivity |
Abbreviated Journal |
Physica C |
|
| |
Volume |
533 |
Issue |
533 |
Pages |
91-95 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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| |
Abstract |
In a mesoscopic sample of a chiral p-wave superconductor, novel states comprising skyrmions and edge states have been stabilized in out-of-plane applied magnetic field. Using the time-dependent Ginzburg-Landau equations we shed light on the dynamic response of such states to an external applied current. Three different regimes are obtained, namely, the superconducting (stationary), resistive (non-stationary) and normal regime, similarly to conventional s-wave superconductors. However, in the resistive regime and depending on the external current, we found that moving skyrmions and the edge state behave distinctly different from the conventional kinematic vortex, thereby providing new fingerprints for identification of p-wave superconductivity. (C) 2016 Elsevier 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 |
000395954100014 |
Publication Date |
2016-07-07 |
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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 |
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Edition |
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|
| |
ISSN |
0921-4534 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
1.404 |
Times cited |
3 |
Open Access |
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| |
Notes |
|
Approved |
Most recent IF: 1.404 |
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| |
Call Number |
UA @ lucian @ c:irua:142534 |
Serial |
4592 |
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| Permanent link to this record |
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Author |
Vodolazov, D.Y.; Berdiyorov, G.; Peeters, F.M. |
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| |
Title |
Negative magnetoresistance in thin superconducting films with parallel orientation of current and magnetic field |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Physica: C : superconductivity |
Abbreviated Journal |
Physica C |
|
| |
Volume |
552 |
Issue |
552 |
Pages |
64-66 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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| |
Abstract |
Thin superconducting films can exhibit negative magnetoresistance when an in-plane external magnetic field is aligned parallel with the transport current. We explain this effect as due to appearance of parallel vortices in the plain of the film at the first critical magnetic field H-c1 which leads to an enhancement of the superconducting properties and impedes the motion of the current induced perpendicular vortices. Our theoretical results are based on a numerical solution of the time-dependent and stationary 3D Ginzburg-Landau equations. |
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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 |
000440786600012 |
Publication Date |
2018-07-20 |
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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 |
0921-4534 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
1.404 |
Times cited |
6 |
Open Access |
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| |
Notes |
; The work is supported by the Russian Science Foundation Project No. 17-72-30036 and the Malthusian programme of the Flemish government. ; |
Approved |
Most recent IF: 1.404 |
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| |
Call Number |
UA @ lucian @ c:irua:153067UA @ admin @ c:irua:153067 |
Serial |
5117 |
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| Permanent link to this record |
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Author |
Van Tendeloo, G.; De Meulenaere, P.; Schryvers, D. |
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| |
Title |
Landscape roughness at an atomic scale |
Type |
A1 Journal article |
| |
Year |
1997 |
Publication |
Physica: D : nonlinear phenomena |
Abbreviated Journal |
Physica D |
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Volume |
107 |
Issue |
|
Pages |
401-410 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
A large number of materials have a highly degenerate ground state and therefore a complex microstructure. Because of this degenerate state, phase transitions between the different phases play an important role. High resolution techniques in electron microscopy and nano-scale chemical analysis allow to study not only the microstructure but also the interfaces down to an atomic scale. We focus particularly on the ambiguity of alloys oil approaching the phase transition. The short range order (SRO) in ''1 1/20'' type alloys and the microstructure of ''tweed'' and needle formation in martensite like alloys with composition Ni5Al3 are considered in more detail. |
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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 |
A1997YC73400034 |
Publication Date |
2003-05-13 |
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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 |
0167-2789; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
1.514 |
Times cited |
2 |
Open Access |
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Notes |
|
Approved |
Most recent IF: 1.514; 1997 IF: 1.508 |
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| |
Call Number |
UA @ lucian @ c:irua:21347 |
Serial |
1775 |
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| Permanent link to this record |
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| |
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Author |
Peeters, F.M.; Partoens, B.; Schweigert, V.A.; Goldoni, G. |
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Title |
Classical molecules in two dimensions |
Type |
A1 Journal article |
| |
Year |
1997 |
Publication |
Physica: E |
Abbreviated Journal |
Physica E |
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Volume |
1 |
Issue |
|
Pages |
219-225 |
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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 |
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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 |
000074364500047 |
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 |
1386-9477; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
2.221 |
Times cited |
5 |
Open Access |
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Notes |
|
Approved |
Most recent IF: 2.221; 1997 IF: NA |
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| |
Call Number |
UA @ lucian @ c:irua:19300 |
Serial |
368 |
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| Permanent link to this record |
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Author |
Deo, P.S.; Schweigert, V.A.; Peeters, F.M.; Geim, A.K. |
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Title |
Type of phase transitions in a mesoscopic superconducting disc |
Type |
A1 Journal article |
| |
Year |
1997 |
Publication |
Physica: E |
Abbreviated Journal |
Physica E |
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Volume |
1 |
Issue |
|
Pages |
297-300 |
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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 |
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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 |
000074364500064 |
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 |
1386-9477; |
ISBN |
|
Additional Links |
UA library record; WoS full record; |
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| |
Impact Factor |
2.221 |
Times cited |
|
Open Access |
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Notes |
|
Approved |
Most recent IF: 2.221; 1997 IF: NA |
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| |
Call Number |
UA @ lucian @ c:irua:19299 |
Serial |
3791 |
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| Permanent link to this record |
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Author |
Razzokov, J.; Naderi, S.; van der Schoot, P. |
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Title |
Nanoscale insight into silk-like protein self-assembly: effect of design and number of repeat units |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Physical biology |
Abbreviated Journal |
Phys. Biol. |
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| |
Volume |
15 |
Issue |
6 |
Pages |
066010 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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| |
Abstract |
By means of replica exchange molecular dynamics simulations we investigate how the length of a silk-like, alternating diblock oligopeptide influences its secondary and quaternary structure. We carry out simulations for two protein sizes consisting of three and five blocks, and study the stability of a single protein, a dimer, a trimer and a tetramer. Initial configurations of our simulations are β-roll and β-sheet structures. We find that for the triblock the secondary and quaternary structures upto and including the tetramer are unstable: the proteins melt into random coil structures and the aggregates disassemble either completely or partially. We attribute this to the competition between conformational entropy of the proteins and the formation of hydrogen bonds and hydrophobic interactions between proteins. This is confirmed by our simulations on the pentablock proteins, where we find that, as the number of monomers in the aggregate increases, individual monomers form more hydrogen bonds whereas their solvent accessible surface area decreases. For the pentablock β-sheet protein, the monomer and the dimer melt as well, although for the β-roll protein only the monomer melts. For both trimers and tetramers remain stable. Apparently, for these the entropy loss of forming β-rolls and β-sheets is compensated for in the free-energy gain due to the hydrogen-bonding and hydrophobic interactions. We also find that the middle monomers in the trimers and tetramers are conformationally much more stable than the ones on the top and the bottom. Interestingly, the latter are more stable on the tetramer than on the trimer, suggesting that as the number of monomers increases protein-protein interactions cooperatively stabilize the assembly.
According to our simulations, the β-roll and β-sheet aggregates must be approximately equally
stable. |
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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 |
000444467000001 |
Publication Date |
2018-09-12 |
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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 |
1478-3975 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
|
Times cited |
1 |
Open Access |
OpenAccess |
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Notes |
The work of J Razzokov is supported by Jepa-Limmat Foundation. We thank Sarah Harris (University of Leeds) and Alexey Lyulin (Eindhoven University of Technology), for useful discussions and advice on the simulations. Eindhoven University of Technology is thanked by J Razzokov for their hospitality. We are grateful for computer time provided by the Dutch National Computing Facilities at the LISA facility at SURFsara. The work of S Naderi forms part of the research program of the Dutch Polymer Institute (DPI, Project No. 698). This work was supported by NWO Exacte Wetenschappen (Physical Sciences) for the use of supercomputer facilities, with financial support (Netherlands Organization for Scientific Research, NWO). |
Approved |
Most recent IF: NA |
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| |
Call Number |
PLASMANT @ plasmant @c:irua:153803c:irua:153596 |
Serial |
5050 |
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| Permanent link to this record |
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Author |
Bafekry, A.; Stampfl, C.; Akgenc, B.; Ghergherehchi, M. |
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Title |
Control of C3N4 and C4N3 carbon nitride nanosheets' electronic and magnetic properties through embedded atoms |
Type |
A1 Journal article |
| |
Year |
2020 |
Publication |
Physical Chemistry Chemical Physics |
Abbreviated Journal |
Phys Chem Chem Phys |
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| |
Volume |
22 |
Issue |
4 |
Pages |
2249-2261 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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| |
Abstract |
In the present work, the effect of various embedded atom impurities on tuning electronic and magnetic properties of C3N4 and C4N3 nanosheets have been studied using first-principles calculations. Our calculations show that C3N4 is a semiconductor and it exhibits extraordinary electronic properties such as dilute-magnetic semiconductor (with H, F, Cl, Be, V, Fe and Co); metal (with N, P, Mg and Ca), half-metal (with Li, Na, K, Al, Sc, Cr, Mn, and Cu) and semiconductor (with O, S, B, C, Si, Ti, Ni and Zn) with the band gaps in the range of 0.3-2.0 eV depending on the species of embedded atom. The calculated electronic properties reveal that C4N3 is a half-metal and it retains half-metallic character with embedded H, O, S, F, B, N, P, Be, Mg, Al, Sc, V, Fe, Ni and Zn atoms. The substitution of Cl, C, Cr and Mn atoms create ferromagnetic-metal character in the C4N3 nanosheet, embedded Co and Cu atoms exhibit a dilute-magnetic semiconductor nature, and embedded Ti atoms result in the system becoming a semiconductor. Therefore, our results reveal the fact that the band gap and magnetism can be modified or induced by various atom impurities, thus, offering effective possibilities to tune the electronic and magnetic properties of C3N4 and C4N3 nanosheets. |
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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 |
000510729400042 |
Publication Date |
2019-12-24 |
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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 |
|
Series Issue |
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Edition |
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| |
ISSN |
1463-9076; 1463-9084 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
3.3 |
Times cited |
18 |
Open Access |
|
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| |
Notes |
; This work has supported by the National Research Foundation of Korea (NRF) grant funded by the Korea government (MSIT) (NRF-2017R1A2B2011989). B. Akgenc acknowledges financial support the Kirklareli University-BAP under the Project No 189 and TUBITAK ULAKBIM, High Performance and Grid Computing Center. ; |
Approved |
Most recent IF: 3.3; 2020 IF: 4.123 |
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| |
Call Number |
UA @ admin @ c:irua:166553 |
Serial |
6476 |
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| Permanent link to this record |
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Author |
Bafekry, A.; Stampfl, C.; Akgenc, B.; Mortazavi, B.; Ghergherehchi, M.; Nguyen, C.V. |
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| |
Title |
Embedding of atoms into the nanopore sites of the C₆N₆ and C₆N₈ porous carbon nitride monolayers with tunable electronic properties |
Type |
A1 Journal article |
| |
Year |
2020 |
Publication |
Physical Chemistry Chemical Physics |
Abbreviated Journal |
Phys Chem Chem Phys |
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| |
Volume |
22 |
Issue |
11 |
Pages |
6418-6433 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Using first-principles calculations, we study the effect of embedding various atoms into the nanopore sites of both C6N6 and C6N8 monolayers. Our results indicate that the embedded atoms significantly affect the electronic and magnetic properties of C6N6 and C6N8 monolayers and lead to extraordinary and multifarious electronic properties, such as metallic, half-metallic, spin-glass semiconductor and dilute-magnetic semiconductor behaviour. Our results reveal that the H atom concentration dramatically affects the C6N6 monolayer. On increasing the H coverage, the impurity states also increase due to H atoms around the Fermi-level. C6N6 shows metallic character when the H atom concentration reaches 6.25%. Moreover, the effect of charge on the electronic properties of both Cr@C6N6 and C@C6N8 is also studied. Cr@C6N6 is a ferromagnetic metal with a magnetic moment of 2.40 mu(B), and when 0.2 electrons are added and removed, it remains a ferromagnetic metal with a magnetic moment of 2.57 and 2.77 mu(B), respectively. Interestingly, one can observe a semi-metal, in which the VBM and CBM in both spin channels touch each other near the Fermi-level. C@C6N8 is a semiconductor with a nontrivial band gap. When 0.2 electrons are removed, it remains metallic, and under excess electronic charge, it exhibits half-metallic behaviour. |
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Place of Publication |
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Editor |
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Language |
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Wos |
000523409400037 |
Publication Date |
2020-02-20 |
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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 |
1463-9076; 1463-9084 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.3 |
Times cited |
17 |
Open Access |
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Notes |
; This work was supported by a National Research Foundation of Korea (NRF) grant funded by the Korean government (MSIT) (NRF-2017R1A2B2011989). ; |
Approved |
Most recent IF: 3.3; 2020 IF: 4.123 |
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Call Number |
UA @ admin @ c:irua:168617 |
Serial |
6504 |
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Author |
Obeid, M.M.; Stampfl, C.; Bafekry, A.; Guan, Z.; Jappor, H.R.; Nguyen, C., V; Naseri, M.; Hoat, D.M.; Hieu, N.N.; Krauklis, A.E.; Tuan V Vu; Gogova, D. |
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Title |
First-principles investigation of nonmetal doped single-layer BiOBr as a potential photocatalyst with a low recombination rate |
Type |
A1 Journal article |
| |
Year |
2020 |
Publication |
Physical Chemistry Chemical Physics |
Abbreviated Journal |
Phys Chem Chem Phys |
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Volume |
22 |
Issue |
27 |
Pages |
15354-15364 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Nonmetal doping is an effective approach to modify the electronic band structure and enhance the photocatalytic performance of bismuth oxyhalides. Using density functional theory, we systematically examine the fundamental properties of single-layer BiOBr doped with boron (B) and phosphorus (P) atoms. The stability of the doped models is investigated based on the formation energies, where the substitutional doping is found to be energetically more stable under O-rich conditions than under Bi-rich ones. The results showed that substitutional doping of P atoms reduced the bandgap of pristine BiOBr to a greater extent than that of boron substitution. The calculation of the effective masses reveals that B doping can render the electrons and holes of pristine BiOBr lighter and heavier, respectively, resulting in a slower recombination rate of photoexcited electron-hole pairs. Based on the results of HOMO-LUMO calculations, the introduction of B atoms tends to increase the number of photocatalytically active sites. The top of the valence band and the conduction band bottom of the B doped BiOBr monolayer match well with the water redox potentials in an acidic environment. The absorption spectra propose that B(P) doping causes a red-shift. Overall, the results predict that nonmetal-doped BiOBr monolayers have a reduced bandgap, a slow recombination rate, more catalytically active sites, enhanced optical absorption edges, and reduced work functions, which will contribute to superior photocatalytic performance. |
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Place of Publication |
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Editor |
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Language |
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Wos |
000549894000018 |
Publication Date |
2020-06-16 |
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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 |
1463-9076; 1463-9084 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.3 |
Times cited |
18 |
Open Access |
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Notes |
; This work was partially supported by the financial support from the Natural Science Foundation of China (Grant No. 11904203) and the Fundamental Research Funds of Shandong University (Grant No. 2019GN065). ; |
Approved |
Most recent IF: 3.3; 2020 IF: 4.123 |
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Call Number |
UA @ admin @ c:irua:171235 |
Serial |
6522 |
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Author |
Izadi, M.E.; Bal, K.M.; Maghari, A.; Neyts, E.C. |
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Title |
Reaction mechanisms of C(3PJ) and C+(2PJ) with benzene in the interstellar medium from quantum mechanical molecular dynamics simulations |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
Physical Chemistry Chemical Physics |
Abbreviated Journal |
Phys Chem Chem Phys |
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Volume |
23 |
Issue |
7 |
Pages |
4205-4216 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
While spectroscopic data on small hydrocarbons in interstellar media in combination with crossed molecular beam (CMB) experiments have provided a wealth of information on astrochemically relevant species, much of the underlying mechanistic pathways of their formation remain elusive. Therefore, in this work, the chemical reaction mechanisms of C(<sup>3</sup>P<sub>J</sub>) + C<sub>6</sub>H<sub>6</sub>and C<sup>+</sup>(<sup>2</sup>P) + C<sub>6</sub>H<sub>6</sub>systems using the quantum mechanical molecular dynamics (QMMD) technique at the PBE0-D3(BJ) level of theory is investigated, mimicking a CMB experiment. Both the dynamics of the reactions as well as the electronic structure for the purpose of the reaction network are evaluated. The method is validated for the first reaction by comparison to the available experimental data. The reaction scheme for the C(<sup>3</sup>P<sub>J</sub>) + C<sub>6</sub>H<sub>6</sub>system covers the literature data,<italic>e.g.</italic>the major products are the 1,2-didehydrocycloheptatrienyl radical (C<sub>7</sub>H<sub>5</sub>) and benzocyclopropenyl radical (C<sub>6</sub>H<sub>5</sub>–CH), and it reveals the existence of less common pathways for the first time. The chemistry of the C<sup>+</sup>(<sup>2</sup>P<sub>J</sub>) + C<sub>6</sub>H<sub>6</sub>system is found to be much richer, and we have found that this is because of more exothermic reactions in this system in comparison to those in the C(<sup>3</sup>P<sub>J</sub>) + C<sub>6</sub>H<sub>6</sub>system. Moreover, using the QMMD simulation, a number of reaction paths have been revealed that produce three distinct classes of reaction products with different ring sizes. All in all, at all the collision energies and orientations, the major product is the heptagon molecular ion for the ionic system. It is also revealed that the collision orientation has a dominant effect on the reaction products in both systems, while the collision energy mostly affects the charged system. These simulations both prove the applicability of this approach to simulate crossed molecular beams, and provide fundamental information on reactions relevant for the interstellar medium. |
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Place of Publication |
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Language |
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Wos |
000621595300016 |
Publication Date |
2021-01-18 |
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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 |
1463-9076 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.123 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
Fonds Wetenschappelijk Onderzoek, 12ZI420N ; Ministry of Science Research and Technology; Universiteit Antwerpen; The financial support from the Iran Ministry of Science, Research and Technology and PLASMANT Research Group University of Antwerp is highly acknowledged by the authors. K.M.B. was funded as a junior postdoctoral fellow of the FWO (Research Foundation – Flanders), Grant 12ZI420N. The computational resources and services used in this work were provided by the HPC core facility CalcUA of the Universiteit Antwerpen, and VSC (Flemish Supercomputer Center), funded by the FWO and the Flemish Government. |
Approved |
Most recent IF: 4.123 |
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Call Number |
PLASMANT @ plasmant @c:irua:176672 |
Serial |
6742 |
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Author |
Bafekry, A.; Gogova, D.; M. Fadlallah, M.; V. Chuong, N.; Ghergherehchi, M.; Faraji, M.; Feghhi, S.A.H.; Oskoeian, M. |
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Title |
Electronic and optical properties of two-dimensional heterostructures and heterojunctions between doped-graphene and C- and N-containing materials |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
Physical Chemistry Chemical Physics |
Abbreviated Journal |
Phys Chem Chem Phys |
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Volume |
23 |
Issue |
8 |
Pages |
4865-4873 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The electronic and optical properties of vertical heterostructures (HTSs) and lateral heterojunctions (HTJs) between (B,N)-codoped graphene (dop@Gr) and graphene (Gr), C3N, BC3 and h-BN monolayers are investigated using van der Waals density functional theory calculations. We have found that all the considered HTSs are energetically and thermally feasible at room temperature, and therefore they can be synthesized experimentally. The dop@Gr/Gr, BC3/dop@Gr and BN/dop@Gr HTSs are semiconductors with direct bandgaps of 0.1 eV, 80 meV and 1.23 eV, respectively, while the C3N/dop@Gr is a metal because of the strong interaction between dop@Gr and C3N layers. On the other hand, the dop@Gr-Gr and BN-dop@Gr HTJs are semiconductors, whereas the C3N-dop@Gr and BC3-dop@Gr HTJs are metals. The proposed HTSs can enhance the absorption of light in the whole wavelength range as compared to Gr and BN monolayers. The applied electric field or pressure strain changes the bandgaps of the HTSs and HTJs, indicating that these HTSs are highly promising for application in nanoscale multifunctional devices. |
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Place of Publication |
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Wos |
000625306100038 |
Publication Date |
2021-02-05 |
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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 |
1463-9076; 1463-9084 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.123 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 4.123 |
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Call Number |
UA @ admin @ c:irua:177659 |
Serial |
6986 |
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Author |
Bafekry, A.; Yagmurcukardes, M.; Akgenc, B.; Ghergherehchi, M.; Mortazavi, B. |
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Title |
First-principles investigation of electronic, mechanical and thermoelectric properties of graphene-like XBi (X = Si, Ge, Sn) monolayers |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
Physical Chemistry Chemical Physics |
Abbreviated Journal |
Phys Chem Chem Phys |
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Volume |
23 |
Issue |
21 |
Pages |
12471-12478 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Research progress on single layer group III monochalcogenides has been increasing rapidly owing to their interesting physics. Herein, we investigate the dynamically stable single layer forms of XBi (X = Ge, Si or Sn) using density functional theory calculations. Phonon band dispersion calculations and ab initio molecular dynamics simulations reveal the dynamical and thermal stability of the considered monolayers. Raman spectra calculations indicate the existence of 5 Raman active phonon modes, 3 of which are prominent and can be observed in possible Raman measurements. The electronic band structures of the XBi single layers were investigated with and without the effects of spin-orbit coupling (SOC). Our results show that XBi single layers show semiconducting properties with narrow band gap values without SOC. However, only single layer SiBi is an indirect band gap semiconductor, while GeBi and SnBi exhibit metallic behaviors when adding spin-orbit coupling effects. In addition, the calculated linear elastic parameters indicate the soft nature of the predicted monolayers. Moreover, our predictions for the thermoelectric properties of single layer XBi reveal that SiBi is a good thermoelectric material with increasing temperature. Overall, it is proposed that single layer XBi structures can be alternative, stable 2D single layers with varying electronic and thermoelectric properties. |
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Corporate Author |
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Place of Publication |
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Wos |
000653851100001 |
Publication Date |
2021-04-08 |
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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 |
1463-9076; 1463-9084 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.123 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 4.123 |
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Call Number |
UA @ admin @ c:irua:179007 |
Serial |
6992 |
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Author |
Bafekry, A.; Faraji, M.; Fadlallah, M.M.; Jappor, H.R.; Karbasizadeh, S.; Ghergherehchi, M.; Sarsari, I.A.; Ziabari, A.A. |
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Title |
Novel two-dimensional AlSb and InSb monolayers with a double-layer honeycomb structure : a first-principles study |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
Physical Chemistry Chemical Physics |
Abbreviated Journal |
Phys Chem Chem Phys |
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Volume |
23 |
Issue |
34 |
Pages |
18752-18759 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
In this work, motivated by the fabrication of an AlSb monolayer, we have focused on the electronic, mechanical and optical properties of AlSb and InSb monolayers with double-layer honeycomb structures, employing the density functional theory approach. The phonon band structure and cohesive energy confirm the stability of the XSb (X = Al and In) monolayers. The mechanical properties reveal that the XSb monolayers have a brittle nature. Using the GGA + SOC (HSE + SOC) functionals, the bandgap of the AlSb monolayer is predicted to be direct, while InSb has a metallic character using both functionals. We find that XSb (X = Al, In) two-dimensional bodies can absorb ultraviolet light. The present findings suggest several applications of AlSb and InSb monolayers in novel optical and electronic usages. |
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Corporate Author |
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Place of Publication |
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Language |
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Wos |
000686236800001 |
Publication Date |
2021-08-05 |
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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 |
1463-9076; 1463-9084 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.123 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 4.123 |
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Call Number |
UA @ admin @ c:irua:181712 |
Serial |
7005 |
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| Permanent link to this record |
