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Records |
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Author |
Goldoni, G.; Peeters, F.M. |
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Title |
Stability, dynamical properties and melting of a classical bi-layer Wigner crystal |
Type |
A1 Journal article |
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Year |
1996 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
53 |
Issue |
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Pages |
4591-4603 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Lancaster, Pa |
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Wos |
A1996TZ17700056 |
Publication Date |
2002-07-27 |
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Series Issue |
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Edition |
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ISSN |
0163-1829;1095-3795; |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.736 |
Times cited |
117 |
Open Access |
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Notes |
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Approved |
PHYSICS, APPLIED 28/145 Q1 # |
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Call Number |
UA @ lucian @ c:irua:15800 |
Serial |
3123 |
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Permanent link to this record |
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Author |
Misko, V.R.; Fomin, V.M.; Devreese, J.T.; Moshchalkov, V.V. |
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Title |
Stability of vortex-antivortex molecules in mesoscopic superconducting triangles |
Type |
A1 Journal article |
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Year |
2004 |
Publication |
Physica C-Superconductivity And Its Applications |
Abbreviated Journal |
Physica C |
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Volume |
404 |
Issue |
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Pages |
251-255 |
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Keywords |
A1 Journal article; Electron Microscopy for Materials Science (EMAT); |
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Place of Publication |
Amsterdam |
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Wos |
000221211500046 |
Publication Date |
2004-02-28 |
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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 |
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Impact Factor |
1.404 |
Times cited |
2 |
Open Access |
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Notes |
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Approved |
Most recent IF: 1.404; 2004 IF: 1.072 |
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Call Number |
UA @ lucian @ c:irua:49453 |
Serial |
3135 |
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Permanent link to this record |
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Author |
Misko, V.R.; Fomin, V.M.; Devreese, J.T.; Moshchalkov, V.V. |
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Title |
Stability of vortex-antivortex “molecules” in mesoscopic superconducting triangles |
Type |
A1 Journal article |
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Year |
2005 |
Publication |
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Abbreviated Journal |
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Volume |
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Issue |
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Pages |
191-196 |
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Keywords |
A1 Journal article; Electron Microscopy for Materials Science (EMAT); |
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Abstract |
We have revealed thermodynamically stable vortex-antivortex configurations in mesoscopic type I superconducting equilateral triangles. The revealed effect is explained by two factors: (i) vortex confinement in mesoscopic triangles and (ii) appearance of the vortex-antivortex repulsion in mesoscopic type I superconductor triangles in the vicinity of the dual point. The stability of the obtained solutions is examined as a function of material and external parameters – the Ginzburg-Landau parameter K and temperature – as well as a function of a distortion of the sample's shape. The vortex-antivortex. “molecule” turns out to be stable in a wide range of the parameters that makes it possible its experimental visualization. |
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Wos |
000234363700030 |
Publication Date |
2007-11-30 |
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Abbreviated Series Title |
3rd International Symposium on Mesoscopic Superconductivity and, Spintronics, MAR 01-04, 2004, Atsug |
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Additional Links |
UA library record; WoS full record; |
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Times cited |
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Open Access |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ lucian @ c:irua:103704 |
Serial |
3134 |
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Permanent link to this record |
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Author |
Marmorkos, I.K.; Matulis, A.; Peeters, F.M. |
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Title |
Stability of the superconducting vortex structure around a magnetic dot |
Type |
A3 Journal article |
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Year |
1995 |
Publication |
Physics of low-dimensional structures |
Abbreviated Journal |
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Volume |
10/11 |
Issue |
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Pages |
77-86 |
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Keywords |
A3 Journal article; Condensed Matter Theory (CMT) |
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0000-00-00 |
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Additional Links |
UA library record |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
PHYSICS, APPLIED 28/145 Q1 # |
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Call Number |
UA @ lucian @ c:irua:13036 |
Serial |
3133 |
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Permanent link to this record |
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Author |
Földi, P.; Kálmán, O.; Peeters, F.M. |
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Title |
Stability of spintronic devices based on quantum ring networks |
Type |
A1 Journal article |
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Year |
2009 |
Publication |
Physical review : B : solid state |
Abbreviated Journal |
Phys Rev B |
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Volume |
80 |
Issue |
12 |
Pages |
125324,1-125324,9 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Transport properties in mesoscopic networks are investigated, where the strength of the (Rashba-type) spin-orbit coupling is tuned with external gate voltages. We analyze in detail to what extent the ideal behavior and functionality of some promising network-based devices are modified by random (spin-dependent) scattering events and by thermal fluctuations. It is found that although the functionality of these devices is obviously based on the quantum coherence of the transmitted electrons, there is a certain stability: moderate level of errors can be tolerated. For mesoscopic networks made of typical semiconductor materials, we found that when the energy distribution of the input carriers is narrow enough, the devices can operate close to their ideal limits even at relatively high temperature. As an example, we present results for two different networks: one that realizes a Stern-Gerlach device and another that simulates a spin quantum walker. Finally we propose a simple network that can act as a narrow band energy filter even in the presence of random scatterers. |
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Place of Publication |
Lancaster, Pa |
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Language |
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Wos |
000270383300091 |
Publication Date |
2009-09-23 |
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Series Editor |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
41 |
Open Access |
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Notes |
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Approved |
Most recent IF: 3.836; 2009 IF: 3.475 |
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Call Number |
UA @ lucian @ c:irua:79230 |
Serial |
3131 |
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Permanent link to this record |
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Author |
Govaerts, K.; Sluiter, M.H.F.; Partoens, B.; Lamoen, D. |
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Title |
Stability of Sb-Te layered structures : first-principles study |
Type |
A1 Journal article |
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Year |
2012 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
85 |
Issue |
14 |
Pages |
144114-144114,8 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
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Abstract |
Using an effective one-dimensional cluster expansion in combination with first-principles electronic structure calculations we have studied the energetics and electronic properties of Sb-Te layered systems. For a Te concentration between 0 and 60 at. % an almost continuous series of metastable structures is obtained consisting of consecutive Sb bilayers next to consecutive Sb2Te3 units, with the general formula (Sb-2)(n)(Sb2Te3)(m) (n, m = 1,2, ... ). Between 60 and 100 at.% no stable structures are found. We account explicitly for the weak van derWaals bonding between Sb bilayers and Sb2Te3 units by using a recently developed functional, which strongly improves the interlayer bonding distances. At T = 0 K, no evidence is found for the existence of two separate single-phase regions delta and gamma and a two-phase region delta + gamma. Metastable compounds with a Te concentration between 0 and 40 at. % are semimetallic, whereas compounds with a Te concentration between 50 and 60 at. % are semiconducting. Compounds with an odd number of Sb layers are metallic and have a much higher formation energy than those with an even number of consecutive Sb layers, thereby favoring the formation of Sb bilayers. |
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Wos |
000303115400004 |
Publication Date |
2012-04-23 |
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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 |
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Series Issue |
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Edition |
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ISSN |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
14 |
Open Access |
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Notes |
Iwt; Fwo |
Approved |
Most recent IF: 3.836; 2012 IF: 3.767 |
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Call Number |
UA @ lucian @ c:irua:98255 |
Serial |
3129 |
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Permanent link to this record |
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Author |
Smondyrev, M.A.; Verbist, G.; Peeters, F.M.; Devreese, J.T. |
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Title |
Stability of multipolaron matter |
Type |
A1 Journal article |
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Year |
1993 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
47 |
Issue |
5 |
Pages |
2596-2601 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems |
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Abstract |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lancaster, Pa |
Editor |
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Language |
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Wos |
A1993KL78900022 |
Publication Date |
2002-07-27 |
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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 |
0163-1829;1095-3795; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.736 |
Times cited |
10 |
Open Access |
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Notes |
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Approved |
PHYSICS, APPLIED 28/145 Q1 # |
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Call Number |
UA @ lucian @ c:irua:5745 |
Serial |
3127 |
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Permanent link to this record |
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Author |
Massobrio, C.; Djimbi, D.M.; Matsubara, M.; Scipioni, R.; Boero, M. |
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Title |
Stability of Ge12C48 and Ge20C40 heterofullerenes : a first principles molecular dynamics study |
Type |
A1 Journal article |
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Year |
2013 |
Publication |
Chemical physics letters |
Abbreviated Journal |
Chem Phys Lett |
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Volume |
556 |
Issue |
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Pages |
163-167 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
By using first-principles molecular dynamics, we address the issue of structural stability for the C-60 Ge-m(m) family of doped heterofullerenes through a set of calculations targeting C48Ge12 and C40Ge20. Three kinds of theoretical tools are employed: (a) static structural optimization, (b) a bonding analysis based on localized orbitals (Wannier wavefunctions and centers) and (c) first-principles molecular dynamics at finite temperature. This latter tool allows concluding that the segregated form of C40Ge20 is less stable than its Si-based counterpart. However, the non-segregated forms of C40Ge20 and C40Si20 have comparable stabilities at finite temperatures. (C) 2012 Elsevier B. V. All rights reserved. |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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Wos |
000313644100032 |
Publication Date |
2012-11-28 |
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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 |
0009-2614; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.815 |
Times cited |
3 |
Open Access |
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Notes |
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Approved |
Most recent IF: 1.815; 2013 IF: 1.991 |
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Call Number |
UA @ lucian @ c:irua:110085 |
Serial |
3132 |
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Permanent link to this record |
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Author |
Pina, J.C.; de Souza Silva, C.C.; Milošević, M.V. |
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Title |
Stability of fractional vortex states in a two-band mesoscopic superconductor |
Type |
A1 Journal article |
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Year |
2012 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
86 |
Issue |
2 |
Pages |
024512 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We investigate the stability of noncomposite fractional vortex states in a mesoscopic two-band superconductor within the two-component Ginzburg-Landau model. Our analysis explicitly takes into account the relationship between the model parameters and microscopic material parameters, such as partial density of states, Fermi velocities and elements of the electron-phonon coupling matrix. We have found that states with different phase winding number in each band (L-1 not equal L-2) and fractional flux can exist in many different configurations, including rather unconventional ones where the dominating band carries larger winding number and states where vertical bar L-1 – L-2 vertical bar > 1. We present a detailed analysis of the stability of the observed vortex structures with respect to changing the microscopic parameters, showing that, in the weak coupling case, fractional vortex states can be assessed in essentially the whole range of temperatures and applied magnetic fields in which both bands are active. Finally, we propose an efficient way of increasing the range of parameters for which these fractional vortex states can be stabilized. In particular, our proposal allows for observation of fractional vortex structures in materials with stronger coupling, where those states are forbidden at a homogeneous field. This is accomplished with the help of the stray fields of a suitably prepared magnetic dot placed nearby the superconducting disk. |
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Corporate Author |
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Publisher |
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Place of Publication |
Lancaster, Pa |
Editor |
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Language |
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Wos |
000306309600006 |
Publication Date |
2012-07-14 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
38 |
Open Access |
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Notes |
; We thank Eric B. Claude, Miguel A. Zorro, and Rogerio M. da Silva for assistance in the development of the numerical code used in our simulations. This work was supported by the Brazilian science agencies CNPq and FACEPE, by the FACEPE/CNPq-PRONEX program, under Grant No. APQ-0589-1.05/08, and by CNPq-FWO Brazil-Flanders co-operation program. M.V.M. acknowledges support from the CAPES-PVE program. ; |
Approved |
Most recent IF: 3.836; 2012 IF: 3.767 |
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Call Number |
UA @ lucian @ c:irua:100766 |
Serial |
3126 |
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Permanent link to this record |
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Author |
Peeters, F.M.; Szafran, B.; Chwiej, T.; Bednarek, S.; Adamowski, J. |
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Title |
Stability of charged exciton states in quantum wires |
Type |
A1 Journal article |
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Year |
2006 |
Publication |
Few-body systems |
Abbreviated Journal |
Few-Body Syst |
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Volume |
38 |
Issue |
2/4 |
Pages |
121-124 |
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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 |
Wien |
Editor |
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Language |
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Wos |
000238498200013 |
Publication Date |
2006-05-03 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0177-7963;1432-5411; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
0.877 |
Times cited |
3 |
Open Access |
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Notes |
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Approved |
Most recent IF: 0.877; 2006 IF: 0.765 |
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Call Number |
UA @ lucian @ c:irua:60035 |
Serial |
3125 |
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Permanent link to this record |
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Author |
Berdiyorov, G.R.; Milošević, M.V.; Peeters, F.M.; van Duin, A.T. |
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Title |
Stability of CH3 molecules trapped on hydrogenated sites of graphene |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
Physica: B : condensed matter |
Abbreviated Journal |
Physica B |
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Volume |
455 |
Issue |
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Pages |
60-65 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We study the effect of a hydrogen atom on the thermal stability of a trapped CH3 molecule on graphene using ReaxFF molecular dynamics simulations. Due to the hydrogen-molecule interaction, enhanced pinning of the CH3 molecule is observed when it is positioned adjacent to the graphene site with the hydrogen atom. We discuss the formation process of such a stable configuration, which originates from different adhesion and migration energies of the hydrogen atom and the CH3 molecule. We also studied the effect of the CH3-H configuration on the electronic transport properties of graphene nanoribbons using first principles density-functional calculations. We found that the formation of the CH3-H structure results in extra features in the transmission spectrum due to the formation of strongly localized states, which are absent when the CH3 molecule is trapped on pristine graphene. Our findings will be useful in exploiting gas sensing properties of graphene, especially for selective detection of individual molecules. (C) 2014 Elsevier B.V. All rights reserved. |
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Corporate Author |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
000344239200016 |
Publication Date |
2014-07-30 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0921-4526; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.386 |
Times cited |
5 |
Open Access |
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Notes |
; This work was supported by the European Science Foundation (ESF) under the EUROCORES Program Euro-GRAPHENE within the project CONGRAN and the Flemish Science Foundation (FWO-VI). A. van Duin acknowledges funding from the Air Force Office of Scientific Research (AFOSR) under Grant no. FA9550-10-1-0563 G. R. Berdiyorov acknowledges support from King Fahd University of Petroleum and Minerals, Saudi Arabia, under the RG1329-1 and RG1329-2 DSR projects. ; |
Approved |
Most recent IF: 1.386; 2014 IF: 1.319 |
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Call Number |
UA @ lucian @ c:irua:121193 |
Serial |
3124 |
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Permanent link to this record |
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Author |
Chaney, G.; Cakir, D.; Peeters, F.M.; Ataca, C. |
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Title |
Stability of adsorption of Mg and Na on sulfur-functionalized MXenes |
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 |
44 |
Pages |
25424-25433 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Two-dimensional materials composed of transition metal carbides and nitrides (MXenes) are poised to revolutionize energy conversion and storage. In this work, we used density functional theory (DFT) to investigate the adsorption of Mg and Na adatoms on five M2CS2 monolayers (where M = Mo, Nb, Ti, V, and Zr) for battery applications. We assessed the stability of the adatom (i.e. Na and Mg)-monolayer systems by calculating adsorption and formation energies, as well as voltages as a function of surface coverage. For instance, we found that Mo2CS2 cannot support a full layer of Na nor even a single Mg atom. Na and Mg exhibit the strongest binding on Zr2CS2, followed by Ti2CS2, Nb2CS2 and V2CS2. Using the nudged elastic band method (NEB), we computed promising diffusion barriers for both dilute and nearly full ion surface coverage cases. In the dilute ion adsorption case, a single Mg and Na atom on Ti2CS2 experience similar to 0.47 eV and similar to 0.10 eV diffusion barriers between the lowest energy sites, respectively. For a nearly full surface coverage, a Na ion moving on Ti2CS2 experiences a similar to 0.33 eV energy barrier, implying a concentration-dependent diffusion barrier. Our molecular dynamics results indicate that the three (one) layers (layer) of the Mg (Na) ion on both surfaces of Ti2CS2 remain stable at T = 300 K. While, according to voltage calculations, Zr2CS2 can store Na up to three atomic layers, our MD simulations predict that the outermost layers detach from the Zr2CS2 monolayer due to the weak interaction between Na ions and the monolayer. This suggests that MD simulations are essential to confirm the stability of an ion-electrode system – an insight that is mostly absent in previous studies. |
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Place of Publication |
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Editor |
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Wos |
000716024400001 |
Publication Date |
2021-10-22 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1463-9076; 1463-9084 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
4.123 |
Times cited |
7 |
Open Access |
Not_Open_Access |
|
|
Notes |
|
Approved |
Most recent IF: 4.123 |
|
|
Call Number |
UA @ admin @ c:irua:184075 |
Serial |
7020 |
|
Permanent link to this record |
|
|
|
|
Author |
Smondyrev, M.A.; Shanenko, A.A.; Devreese, J.T. |
|
|
Title |
Stability criterion for large bipolarons in a polaron-gas background |
Type |
A1 Journal article |
|
Year |
2001 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
|
|
Volume |
63 |
Issue |
|
Pages |
024302,1-4 |
|
|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems |
|
|
Abstract |
|
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
|
|
Language |
|
Wos |
|
Publication Date |
0000-00-00 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
1098-0121; 0163-1829 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
3.836 |
Times cited |
|
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 3.836; 2001 IF: NA |
|
|
Call Number |
UA @ lucian @ c:irua:34310 |
Serial |
3122 |
|
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 |
Fang, C.M.; van Huis, M.A.; Zandbergen, H.W. |
|
|
Title |
Stability and structures of the \epsilon-phases of iron nitrides and iron carbides from first principles |
Type |
A1 Journal article |
|
Year |
2011 |
Publication |
Scripta materialia |
Abbreviated Journal |
Scripta Mater |
|
|
Volume |
64 |
Issue |
3 |
Pages |
296-299 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
First-principles calculations were performed for the ε-phases and other iron carbides/nitrides with hexagonal close-packed Fe sublattices. Although these nitrides/carbides have similar crystal structures, they exhibit different chemical and physical properties. Relative to α-Fe, graphite and N2, all the ε-type nitrides are stable, while all the carbides are metastable. The lattice parameters of the ε-iron nitrides vary differently from those of the ε-carbides, as a function of the concentration of X (Xdouble bond; length as m-dashN, C). The structural relationships of ε-Fe2X with η-Fe2X and ζ-Fe2X are discussed. |
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Address |
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|
Corporate Author |
|
Thesis |
|
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|
Publisher |
|
Place of Publication |
Oxford |
Editor |
|
|
|
Language |
|
Wos |
000285323300022 |
Publication Date |
2010-09-02 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
1359-6462; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
3.747 |
Times cited |
29 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 3.747; 2011 IF: 2.699 |
|
|
Call Number |
UA @ lucian @ c:irua:86974 |
Serial |
3120 |
|
Permanent link to this record |
|
|
|
|
Author |
Fang, C.M.; van Huis, M.A.; Zandbergen, H.W. |
|
|
Title |
Stability and structures of the CFCC-TmC phases : a first-principles study |
Type |
A1 Journal article |
|
Year |
2012 |
Publication |
Computational materials science |
Abbreviated Journal |
Comp Mater Sci |
|
|
Volume |
51 |
Issue |
1 |
Pages |
146-150 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
The η-M6C, γ-M23C6, and π-M11C2 phases (M = Cr, Mn and Fe) have complex cubic lattices with lattice parameters of approximately 1.0 nm. They belong to the CFCC-TmC family (complex face-centered cubic transition metal carbides), display a rich variety of crystal structures, and play in important role in iron alloys and steels. Here we show that first-principles calculations predict high stability for the γ-M23C6 and η-M6C phases, and instability for the π-M11C2 phases, taking into account various compositional and structural possibilities. The calculations also show a wide variety in magnetic properties. The Cr-containing phases were found to be non-magnetic and the Fe-phases to be ferromagnetic, while the Mn-containing phases were found to be either ferrimagnetic or non-magnetic. Details of the local atomic structures, and the formation and stability of these precipitates in alloys are discussed. |
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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 |
000296214300020 |
Publication Date |
2011-08-29 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0927-0256; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
2.292 |
Times cited |
18 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 2.292; 2012 IF: 1.878 |
|
|
Call Number |
UA @ lucian @ c:irua:93277 |
Serial |
3119 |
|
Permanent link to this record |
|
|
|
|
Author |
Goldoni, G.; Schweigert, V.; Peeters, F.M. |
|
|
Title |
Stability and dynamical properties of a double-layer Wigner crystal in two dimensions |
Type |
A1 Journal article |
|
Year |
1996 |
Publication |
Surface science : a journal devoted to the physics and chemistry of interfaces |
Abbreviated Journal |
Surf Sci |
|
|
Volume |
361/362 |
Issue |
|
Pages |
163-166 |
|
|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
|
Abstract |
|
|
|
Address |
|
|
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Corporate Author |
|
Thesis |
|
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Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
|
|
Language |
|
Wos |
A1996UZ03300041 |
Publication Date |
2002-07-26 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0039-6028; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
1.925 |
Times cited |
4 |
Open Access |
|
|
|
Notes |
|
Approved |
PHYSICS, APPLIED 28/145 Q1 # |
|
|
Call Number |
UA @ lucian @ c:irua:15814 |
Serial |
3118 |
|
Permanent link to this record |
|
|
|
|
Author |
Fang, C.M.; van Huis, M.A.; Thijsse, B.J.; Zandbergen, H.W. |
|
|
Title |
Stability and crystal structures of iron carbides : a comparison between the semi-empirical modified embedded atom method and quantum-mechanical DFT calculations |
Type |
A1 Journal article |
|
Year |
2012 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
|
|
Volume |
85 |
Issue |
5 |
Pages |
054116-054116,7 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
Iron carbides play a crucial role in steel manufacturing and processing and to a large extent determine the physical properties of steel products. The modified embedded atom method (MEAM) in combination with Lee's Fe-C potential is a good candidate for molecular dynamics simulations on larger Fe-C systems. Here, we investigate the stability and crystal structures of pure iron and binary iron carbides using MEAM and compare them with the experimental data and quantum-mechanical density functional theory calculations. The analysis shows that the Fe-C potential gives reasonable results for the relative stability of iron and iron carbides. The performance of MEAM for the prediction of the potential energy and the calculated lattice parameters at elevated temperature for pure iron phases and cementite are investigated as well. The conclusion is that Lee's MEAM Fe-C potential provides a promising basis for further molecular dynamics simulations of Fe-C alloys and steels at lower temperatures (up to 800 K). |
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Address |
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Corporate Author |
|
Thesis |
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Publisher |
|
Place of Publication |
|
Editor |
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Language |
|
Wos |
000300931900004 |
Publication Date |
2012-02-29 |
|
|
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 |
18 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 3.836; 2012 IF: 3.767 |
|
|
Call Number |
UA @ lucian @ c:irua:97201 |
Serial |
3117 |
|
Permanent link to this record |
|
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|
|
Author |
Chin, C.-M.; Battle, P.D.; Hunter, E.C.; Avdeev, M.; Hendrickx, M.; Hadermann, J. |
|
|
Title |
Stabilisation of magnetic ordering in La3Ni2-xCuxB'O9(B'=Sb,Ta,Nb) by the introduction of Cu2+ |
Type |
A1 Journal article |
|
Year |
2019 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
|
|
Volume |
276 |
Issue |
276 |
Pages |
164-172 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
La3Ni2-xCuxB'O-9 (x = 0.25; B' = Sb, Ta, Nb: x = 0.5; B' = Nb) have been synthesized and characterised by transmission electron microscopy, neutron diffraction and magnetometry. Each adopts a perovskite-like structure (space group P2(1)/n) with two crystallographically-distinct six-coordinate sites, one occupied by a disordered arrangement of Ni2+ and Cu2+ and the other by a disordered similar to 1:2 distribution of Ni2+ and B'(5+), although some Cu2+ is found on the latter site when x = 0.5. Each composition undergoes a magnetic transition in the range 90 <= T/K <= 130 and shows a spontaneous magnetisation at 5 K; the transition temperature always exceeds that of the x = 0 composition by >= 30 K. A long-range ordered G-type ferrimagnetic structure is present in each composition, but small relaxor domains are also present. This contrasts with the pure relaxor and spin-glass behaviour of x = 0, B' = Ta, Nb, respectively. |
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Address |
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|
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Corporate Author |
|
Thesis |
|
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Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
000473372400023 |
Publication Date |
2019-05-09 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0022-4596 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
2.299 |
Times cited |
2 |
Open Access |
|
|
|
Notes |
; We thank EPSRC for funding through grant EP/M0189541. CMC thanks the Croucher Foundation and the University of Oxford for the award of a graduate scholarship. ; |
Approved |
Most recent IF: 2.299 |
|
|
Call Number |
UA @ admin @ c:irua:161199 |
Serial |
5396 |
|
Permanent link to this record |
|
|
|
|
Author |
Michel, A.; Pierron-Bohnes, V.; Jay, J.P.; Panissod, P.; Lefebvre, S.; Bessière, M.; Fischer, H.E.; Van Tendeloo, G. |
|
|
Title |
Stabilisation of fcc cobalt layers by 0.4 nm thick manganese layers in Co/Mn superlattices |
Type |
A1 Journal article |
|
Year |
2001 |
Publication |
European physical journal : B : condensed matter and complex systems |
Abbreviated Journal |
Eur Phys J B |
|
|
Volume |
19 |
Issue |
2 |
Pages |
225-239 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
|
|
|
Address |
|
|
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Corporate Author |
|
Thesis |
|
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Publisher |
|
Place of Publication |
Berlin |
Editor |
|
|
|
Language |
|
Wos |
000167425800008 |
Publication Date |
2003-05-15 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
1434-6028; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
1.461 |
Times cited |
8 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 1.461; 2001 IF: 1.811 |
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|
Call Number |
UA @ lucian @ c:irua:54779 |
Serial |
3116 |
|
Permanent link to this record |
|
|
|
|
Author |
Shanenko, A.A.; Smondyrev, M.A.; Devreese, J.T. |
|
|
Title |
Stabilisation of bipolarons by polaron environment |
Type |
A1 Journal article |
|
Year |
1996 |
Publication |
Solid state communications |
Abbreviated Journal |
Solid State Commun |
|
|
Volume |
98 |
Issue |
|
Pages |
1091 |
|
|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems |
|
|
Abstract |
|
|
|
Address |
|
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Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
New York, N.Y. |
Editor |
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|
|
Language |
|
Wos |
A1996UT02900012 |
Publication Date |
0000-00-00 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0038-1098 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
1.897 |
Times cited |
11 |
Open Access |
|
|
|
Notes |
|
Approved |
PHYSICS, APPLIED 28/145 Q1 # |
|
|
Call Number |
UA @ lucian @ c:irua:16186 |
Serial |
3115 |
|
Permanent link to this record |
|
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|
|
Author |
Whaley, L.W.; Lobanov, M.V.; Sheptyakov, D.; Croft, M.; Ramanujachary, K.V.; Lofland, S.; Stephens, P.W.; Her, J.H.; Van Tendeloo, G.; Rossell, M.; Greenblatt, M.; |
|
|
Title |
Sr3Fe5/4Mo3/4O6.9, an n = 2 Ruddlesden-Popper phase: synthesis and properties |
Type |
A1 Journal article |
|
Year |
2006 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
|
|
Volume |
18 |
Issue |
15 |
Pages |
3448-3457 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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|
Abstract |
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|
Address |
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Corporate Author |
|
Thesis |
|
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Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
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Language |
|
Wos |
000239085900010 |
Publication Date |
2006-06-22 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0897-4756;1520-5002; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
9.466 |
Times cited |
15 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 9.466; 2006 IF: 5.104 |
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|
Call Number |
UA @ lucian @ c:irua:60579 |
Serial |
3560 |
|
Permanent link to this record |
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Author |
Gillie, L.J.; Hadermann, J.; Pérez, O.; Martin, C.; Hervieu, M.; Suard, E. |
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|
Title |
SrMn3O6: an incommensurate modulated tunnel structure |
Type |
A1 Journal article |
|
Year |
2004 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
|
|
Volume |
177 |
Issue |
|
Pages |
3383-3391 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
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|
Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
London |
Editor |
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|
|
Language |
|
Wos |
000224465500020 |
Publication Date |
2004-07-21 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0022-4596; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
2.299 |
Times cited |
19 |
Open Access |
|
|
|
Notes |
Scootmo: Hrpn-Ct-2002-00293; Super-Gmr: Hprn-Ct-2002-0021 |
Approved |
Most recent IF: 2.299; 2004 IF: 1.815 |
|
|
Call Number |
UA @ lucian @ c:irua:49463 |
Serial |
3562 |
|
Permanent link to this record |
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|
|
Author |
Malo, S.; Abakumov, A.M.; Daturi, M.; Pelloquin, D.; Van Tendeloo, G.; Guesdon, A.; Hervieu, M. |
|
|
Title |
Sr21Bi8Cu2(CO3)(2)O-41, a Bi5+ Oxycarbonate with an Original 10L Structure |
Type |
A1 Journal article |
|
Year |
2014 |
Publication |
Inorganic chemistry |
Abbreviated Journal |
Inorg Chem |
|
|
Volume |
53 |
Issue |
19 |
Pages |
10266-10275 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
The layered structure of Sr21Bi8Cu2(CO3)(2)O-41 (Z = 2) was determined by transmission electron microscopy, infrared spectroscopy, and powder X-ray diffraction refinement in space group P6(3)/mcm (No. 194), with a = 10.0966(3)angstrom and c = 26.3762(5)angstrom. This original 10L-type structure is built from two structural blocks, namely, [Sr15Bi6Cu2(CO3)O-29] and [Sr6Bi2(CO3)O-12]. The Bi5+ cations form [Bi2O10] dimers, whereas the Cu2+ and C atoms occupy infinite tunnels running along (c) over right arrow. The nature of the different blocks and layers is discussed with regard to the existing hexagonal layered compounds. Sr21Bi8Cu2(CO3)(2)O-41 is insulating and paramagnetic. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
Easton, Pa |
Editor |
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|
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Language |
|
Wos |
000342856800039 |
Publication Date |
2014-10-06 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0020-1669;1520-510X; |
ISBN |
|
Additional Links |
UA library record; WoS full record |
|
|
Impact Factor |
4.857 |
Times cited |
|
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 4.857; 2014 IF: 4.762 |
|
|
Call Number |
UA @ lucian @ c:irua:121115 |
Serial |
3114 |
|
Permanent link to this record |
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|
|
Author |
Salbu, B.; Janssens, K.; Lind, O.C.; Simionovici, A.S.; Trekling, T.; Drakopoulos, M.; Snigireva, I.; Snigirev, A. |
|
|
Title |
SR-based X-ray microbeam techniques utilised for solid-state speciation of U in fuel particles |
Type |
P3 Proceeding |
|
Year |
2002 |
Publication |
|
Abbreviated Journal |
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|
|
Volume |
|
Issue |
|
Pages |
|
|
|
Keywords |
P3 Proceeding; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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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 |
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Publication Date |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
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ISBN |
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Additional Links |
UA library record |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:39943 |
Serial |
5844 |
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Permanent link to this record |
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Author |
Molnar, B.; Vasilopoulos, P.; Peeters, F.M. |
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Title |
Square-wave conductance through a chain of rings due to spin-orbit interaction |
Type |
P1 Proceeding |
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Year |
2005 |
Publication |
AIP conference proceedings |
Abbreviated Journal |
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Volume |
772 |
Issue |
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Pages |
1335-1336 |
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Keywords |
P1 Proceeding; Condensed Matter Theory (CMT) |
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Abstract |
We study ballistic electron transport through a finite chain of quantum circular rings in the presence of spin-orbit interaction (SOI) of strength alpha. The transmission and reflection coefficients for a single ring, obtained analytical lylead to the conductance for a chain of rings as a function of alpha and of the wave vector k of the incident electron. Due to destructive spin interferences the chain can be totaly opaque for certain ranges of k the width of which depends on the value of alpha. A periodic modulation of a widens up the gaps considerably and produces a nearly binary conductance output. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
New York |
Editor |
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Language |
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Wos |
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Publication Date |
0000-00-00 |
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Series Editor |
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Series Title |
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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 |
0094-243x |
ISBN |
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Additional Links |
UA library record; WoS full record; |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ lucian @ c:irua:94771 |
Serial |
3113 |
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Permanent link to this record |
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Author |
Ben Dkhil, S.; Pfannmöller, M.; Bals, S.; Koganezawa, T.; Yoshimoto, N.; Hannani, D.; Gaceur, M.; Videlot-Ackermann, C.; Margeat, O.; Ackermann, J. |
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Title |
Square-centimeter-sized high-efficiency polymer solar cells : how the processing atmosphere and film quality influence performance at large scale |
Type |
A1 Journal article |
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Year |
2016 |
Publication |
Laser physics review |
Abbreviated Journal |
Adv Energy Mater |
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Volume |
6 |
Issue |
6 |
Pages |
1600290 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
Organic solar cells based on two benzodithiophene-based polymers (PTB7 and PTB7-Th) processed at square centimeter-size under inert atmosphere and ambient air, respectively, are investigated. It is demonstrated that the performance of solar cells processed under inert atmosphere is not limited by the upscaling of photoactive layer and the interfacial layers. Thorough morphological and electrical characterizations of optimized layers and corresponding devices reveal that performance losses due to area enlargement are only caused by the sheet resistance of the transparent electrode reducing the effi ciency from 9.3% of 7.8% for PTB7-Th in the condition that both photoactive layer and the interfacial layers are of high layer quality. Air processing of photoactive layer and the interfacial layers into centimeter-sized solar cells lead to additional, but only slight, losses (< 10%) in all photovoltaic parameters, which can be addressed to changes in the electronic properties of both active layer and ZnO layers rather than changes in layer morphology. The demonstrated compatibility of polymer solar cells using solution-processed photoactive layer and interfacial layers with large area indicates that the introduction of a standard active area of 1 cm(2) for measuring effi ciency of organic record solar cells is feasible. However electric standards for indium tin oxides (ITO) or alternative transparent electrodes need to be developed so that performance of new photovoltaic materials can be compared at square centimeter-size. |
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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 |
Place of publication unknown |
Editor |
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Language |
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Wos |
000379314700010 |
Publication Date |
2016-05-04 |
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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 |
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Edition |
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ISSN |
1614-6832 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
16.721 |
Times cited |
6 |
Open Access |
Not_Open_Access |
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Notes |
; The authors acknowledge financial support by the French Fond Unique Intermisteriel (FUI) under the project “SFUMATO” (Grant number: F1110019V/ 201308815) as well as by the European Commission under the Project “SUNFLOWER” (FP7-ICT-2011-7-contract no. 287594). Generalitat Valenciana (ISIC/2012/008 Institute of Nanotechnologies for Clean Energies) is also acknowledged for providing financial support. The synchrotron radiation experiments were performed at BL46XU and BL19B2 in SPring-8 with the approval of Japan Synchrotron Radiation Research Institute (JASRI) (Proposal Nos. 2014B1916 and 2015A1984). The authors further acknowledge financial support from the European Research Council (ERC Starting Grant #335078-COLOURATOMS). ; |
Approved |
Most recent IF: 16.721 |
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Call Number |
UA @ lucian @ c:irua:134951 |
Serial |
4249 |
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Permanent link to this record |
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Author |
Elmonov, A.A.; Yusupov, M.S.; Dzhurakhalov, A.A.; Bogaerts, A. |
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Title |
Sputtering of Si(001) and SiC(001) by grazing ion bombardment |
Type |
P1 Proceeding |
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Year |
2008 |
Publication |
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Abbreviated Journal |
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Volume |
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Issue |
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Pages |
209-213 |
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Keywords |
P1 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
The peculiarities of sputtering processes at 0.5-5 keV Ne grazing ion bombardment of Si(001) and SiC(001) surfaces and their possible application for the surface modification have been studied by computer simulation. Sputtering yields in the primary knock-on recoil atoms regime versus the initial energy of incident ions (E(0) = 0.5-5 keV) and angle of incidence (psi = 0-30 degrees) counted from a target surface have been calculated. Comparative studies of layer-by-layer sputtering for Si(001) and SiC(001) surfaces versus the initial energy of incident ions as well as an effective sputtering and sputtering threshold are discussed. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
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Publication Date |
0000-00-00 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
84 |
Edition |
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ISSN |
978-86-80019-27-7 |
ISBN |
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Additional Links |
UA library record; WoS full record; |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ lucian @ c:irua:95704 |
Serial |
3112 |
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Permanent link to this record |
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Author |
Georgieva, V.; Saraiva, M.; Jehanathan, N.; Lebelev, O.I.; Depla, D.; Bogaerts, A. |
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Title |
Sputter-deposited Mg-Al-O thin films: linking molecular dynamics simulations to experiments |
Type |
A1 Journal article |
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Year |
2009 |
Publication |
Journal of physics: D: applied physics |
Abbreviated Journal |
J Phys D Appl Phys |
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Volume |
42 |
Issue |
6 |
Pages |
065107,1-065107,8 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Using a molecular dynamics model the crystallinity of MgxAlyOz thin films with a variation in the stoichiometry of the thin film is studied at operating conditions similar to the experimental operating conditions of a dual magnetron sputter deposition system. The films are deposited on a crystalline or amorphous substrate. The Mg metal content in the film ranged from 100% (i.e. MgO film) to 0% (i.e. Al2O3 film). The radial distribution function and density of the films are calculated. The results are compared with x-ray diffraction and transmission electron microscopy analyses of experimentally deposited thin films by the dual magnetron reactive sputtering process. Both simulation and experimental results show that the structure of the MgAlO film varies from crystalline to amorphous when the Mg concentration decreases. It seems that the crystalline MgAlO films have a MgO structure with Al atoms in between. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
London |
Editor |
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Language |
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Wos |
000263824200024 |
Publication Date |
2009-03-03 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0022-3727;1361-6463; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.588 |
Times cited |
37 |
Open Access |
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Notes |
Iwt |
Approved |
Most recent IF: 2.588; 2009 IF: 2.083 |
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Call Number |
UA @ lucian @ c:irua:73246 |
Serial |
3110 |
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Permanent link to this record |
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Author |
Yusupov, M.; Saraiva, M.; Depla, D.; Bogaerts, A. |
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Title |
Sputter deposition of MgxAlyOz thin films in a dual-magnetron device : a multi-species Monte Carlo model |
Type |
A1 Journal article |
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Year |
2012 |
Publication |
New journal of physics |
Abbreviated Journal |
New J Phys |
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Volume |
14 |
Issue |
7 |
Pages |
073043 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
A multi-species Monte Carlo (MC) model, combined with an analytical surface model, has been developed in order to investigate the general plasma processes occurring during the sputter deposition of complex oxide films in a dual-magnetron sputter deposition system. The important plasma species, such as electrons, Ar+ ions, fast Ar atoms and sputtered metal atoms (i.e. Mg and Al atoms) are described with the so-called multi-species MC model, whereas the deposition of MgxAlyOz films is treated by an analytical surface model. Targetsubstrate distances for both magnetrons in the dual-magnetron setup are varied for the purpose of growing stoichiometric complex oxide thin films. The metal atoms are sputtered from pure metallic targets, whereas the oxygen flux is only directed toward the substrate and is high enough to obtain fully oxidized thin films but low enough to avoid target poisoning. The calculations correspond to typical experimental conditions applied to grow these complex oxide films. In this paper, some calculation results are shown, such as the densities of various plasma species, their fluxes toward the targets and substrate, the deposition rates, as well as the film stoichiometry. Moreover, some results of the combined model are compared with experimental observations. Note that this is the first complete model, which can be applied for large and complicated magnetron reactor geometries, such as dual-magnetron configurations. With this model, we are able to describe all important plasma species as well as the deposition process. It can also be used to predict film stoichiometries of complex oxide films on the substrate. |
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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 |
Bristol |
Editor |
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Language |
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Wos |
000307072500003 |
Publication Date |
2012-07-21 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1367-2630; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.786 |
Times cited |
2 |
Open Access |
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Notes |
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Approved |
Most recent IF: 3.786; 2012 IF: 4.063 |
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Call Number |
UA @ lucian @ c:irua:100100 |
Serial |
3111 |
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Permanent link to this record |