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Records |
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Author |
Doğan, F.; Covaci, L.; Kim, W.; Marsiglio, F. |
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Title |
Emerging nonequilibrium bound state in spin-current–local-spin scattering |
Type  |
A1 Journal article |
| |
Year |
2009 |
Publication |
Physical Review B |
Abbreviated Journal |
Phys Rev B |
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Volume |
80 |
Issue |
10 |
Pages |
104434 |
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Keywords |
A1 Journal article |
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Abstract |
Magnetization reversal is a well-studied problem with obvious applicability in computer hard drives. One can accomplish a magnetization reversal in at least one of two ways: application of a magnetic field or through a spin current. The latter is more amenable to a fully quantum-mechanical analysis. We formulate and solve the problem whereby a spin current interacts with a ferromagnetic Heisenberg spin chain, to eventually reverse the magnetization of the chain. Spin flips are accomplished through both elastic and inelastic scattering. A consequence of the inelastic-scattering channel, when it is no longer energetically possible, is the occurrence of a nonequilibrium bound state, which is an emergent property of the coupled local plus itinerant spin system. For certain definite parameter values the itinerant spin lingers near the local spins for some time, before eventually leaking out as an outwardly diffusing state. This phenomenon results in spin-flip dynamics and filtering properties for this type of system. |
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Wos |
000270383100077 |
Publication Date |
2009-09-25 |
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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 |
ISBN |
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Additional Links |
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Impact Factor |
3.836 |
Times cited |
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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 @ |
Serial |
4436 |
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Author |
Ackerman, M.L.; Kumar, P.; Neek-Amal, M.; Thibado, P.M.; Peeters, F.M.; Singh, S. |
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Title |
Anomalous dynamical behavior of freestanding graphene membranes |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
Physical review letters |
Abbreviated Journal |
Phys Rev Lett |
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| |
Volume |
117 |
Issue |
117 |
Pages |
126801 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We report subnanometer, high-bandwidth measurements of the out-of-plane (vertical) motion of atoms in freestanding graphene using scanning tunneling microscopy. By tracking the vertical position over a long time period, a 1000-fold increase in the ability to measure space-time dynamics of atomically thin membranes is achieved over the current state-of-the-art imaging technologies. We observe that the vertical motion of a graphene membrane exhibits rare long-scale excursions characterized by both anomalous mean-squared displacements and Cauchy-Lorentz power law jump distributions. |
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Corporate Author |
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Thesis |
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Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000383171800010 |
Publication Date |
2016-09-13 |
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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 |
0031-9007 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
8.462 |
Times cited |
46 |
Open Access |
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Notes |
; The authors thank Theodore L. Einstein, Michael F. Shlesinger, and Woodrow L. Shew for their careful reading of the manuscript and insightful comments. This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem Foundation of the Flemish Government. P. M. T. was supported by the Office of Naval Research under Grant No. N00014-10-1-0181 and the National Science Foundation under Grant No. DMR-0855358. M.N.-A. was supported by Iran Science Elites Federation (ISEF) under Grant No. 11/66332. ; |
Approved |
Most recent IF: 8.462 |
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| |
Call Number |
UA @ lucian @ c:irua:137125 |
Serial |
4347 |
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| Permanent link to this record |
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Author |
Kiymaz, D.; Yagmurcukardes, M.; Tomak, A.; Sahin, H.; Senger, R.T.; Peeters, F.M.; Zareie, H.M.; Zafer, C. |
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Title |
Controlled growth mechanism of poly (3-hexylthiophene) nanowires |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
Nanotechnology |
Abbreviated Journal |
Nanotechnology |
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| |
Volume |
27 |
Issue |
27 |
Pages |
455604 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
Synthesis of 1D-polymer nanowires by a self-assembly method using marginal solvents is an attractive technique. While the formation mechanism is poorly understood, this method is essential in order to control the growth of nanowires. Here we visualized the time-dependent assembly of poly (3-hexyl-thiophene-2,5-diyl) (P3HT) nanowires by atomic force microscopy and scanning tunneling microscopy. The assembly of P3HT nanowires was carried out at room temperature by mixing cyclohexanone (CHN), as a poor solvent, with polymer solution in 1,2-dichlorobenzene (DCB). Both pi-pi stacking and planarization, obtained at the mix volume ratio of P3HT (in DCB):CHN (10:7), were considered during the investigation. We find that the length of nanowires was determined by the ordering of polymers in the polymer repetition direction. Additionally, our density functional theory calculations revealed that the presence of DCB and CHN molecules that stabilize the structural distortions due to tail group of polymers was essential for the core-wire formation. |
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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 |
000386132600003 |
Publication Date |
2016-10-11 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0957-4484 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.44 |
Times cited |
24 |
Open Access |
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Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem foundation of the Flemish government. Computational resources were provided by TUBITAK ULAKBIM, the High Performance and Grid Computing Center (TR-Grid e-Infrastructure), and the HPC infrastructure of the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules Foundation. HS is supported by a FWO Pegasus-Long Marie Curie Fellowship. HS and RTS acknowledge support from TUBITAK through Project No. 114F397. Also, DA is supported by the Scientific Research Project Fund of Ege University (Project Nr: 12GEE011). ; |
Approved |
Most recent IF: 3.44 |
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Call Number |
UA @ lucian @ c:irua:138159 |
Serial |
4350 |
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Author |
De Beule, C.; Ziani, N.T.; Zarenia, M.; Partoens, B.; Trauzettel, B. |
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Title |
Correlation and current anomalies in helical quantum dots |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
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| |
Volume |
94 |
Issue |
94 |
Pages |
155111 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We theoretically investigate the ground-state properties of a quantum dot defined on the surface of a strong three-dimensional time-reversal invariant topological insulator. Confinement is realized by ferromagnetic barriers and Coulomb interaction is treated numerically for up to seven electrons in the dot. Experimentally relevant intermediate interaction strengths are considered. The topological origin of the dot has several consequences: (i) spin polarization increases and the ground state exhibits quantum phase transitions at specific angular momenta as a function of interaction strength, (ii) the onset of Wigner correlations takes place mainly in one spin channel, and (iii) the ground state is characterized by a robust persistent current that changes sign as a function of the distance from the center of the dot. |
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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 |
000385242200001 |
Publication Date |
2016-10-07 |
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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 |
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Series Issue |
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Edition |
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ISSN |
2469-9950;2469-9969; |
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 |
3 |
Open Access |
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Notes |
; We thank F. Cavaliere, F. Crepin, C. Felser, and B. Yan for interesting discussions, and S. Curreli for performing the finite-element calculation of the magnetic field in COMSOL. C.D.B. and M.Z. are supported by the Flemish Research Foundation (FWO). N.T.Z. and B.T. acknowledge financial support by the DFG (SPP1666 and SFB1170 “ToCoTronics”), the Helmholtz Foundation (VITI), and the ENB Graduate School on “Topological Insulators.” ; |
Approved |
Most recent IF: 3.836 |
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Call Number |
UA @ lucian @ c:irua:137234 |
Serial |
4351 |
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Author |
Mirzakhani, M.; Zarenia, M.; da Costa, D.R.; Ketabi, S.A.; Peeters, F.M. |
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Title |
Energy levels of ABC-stacked trilayer graphene quantum dots with infinite-mass boundary conditions |
Type |
A1 Journal article |
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Year |
2016 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
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Volume |
94 |
Issue |
94 |
Pages |
165423 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Using the continuum model, we investigate the confined states and the corresponding wave functions of ABC-stacked trilayer graphene (TLG) quantum dots (QDs). First, a general infinite-mass boundary condition is derived and applied to calculate the electron and hole energy levels of a circular QD in both the absence and presence of a perpendicular magnetic field. Our analytical results for the energy spectra agree with those obtained by using the tight-binding model, where a TLG QD is surrounded by a staggered potential. Our findings show that (i) the energy spectrum exhibits intervalley symmetry E-K(e)(m) = -E-K'(h)(m) for the electron (e) and hole (h) states, where m is the angular momentum quantum number, (ii) the zero-energy Landau level (LL) is formed by the magnetic states with m <= 0 for both Dirac valleys, that is different from monolayer and bilayer graphene QD with infinite-mass potential in which only one of the cones contributes, and (iii) groups of three quantum Hall edge states in the tight-binding magnetic spectrum approach the zero LL, which results from the layer symmetry in TLG QDs. |
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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 |
000386168000011 |
Publication Date |
2016-10-19 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2469-9950;2469-9969; |
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 |
9 |
Open Access |
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Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl), the Brazilian Council for Research (CNPq), the Science without Borders program, PRONEX/FUNCAP, and CAPES foundation. ; |
Approved |
Most recent IF: 3.836 |
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Call Number |
UA @ lucian @ c:irua:138174 |
Serial |
4353 |
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Author |
Stosic, D.; Stosic, D.; Ludermir, T.; Stosic, B.; Milošević, M.V. |
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Title |
GPU-advanced 3D electromagnetic simulations of superconductors in the Ginzburg-Landau formalism |
Type |
A1 Journal article |
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Year |
2016 |
Publication |
Journal of computational physics |
Abbreviated Journal |
J Comput Phys |
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Volume |
322 |
Issue |
322 |
Pages |
183-198 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Ginzburg-Landau theory is one of the most powerful phenomenological theories in physics, with particular predictive value in superconductivity. The formalism solves coupled nonlinear differential equations for both the electronic and magnetic responsiveness of a given superconductor to external electromagnetic excitations. With order parameter varying on the short scale of the coherence length, and the magnetic field being long-range, the numerical handling of 3D simulations becomes extremely challenging and time-consuming for realistic samples. Here we show precisely how one can employ graphics-processing units (GPUs) for this type of calculations, and obtain physics answers of interest in a reasonable time-frame – with speedup of over 100x compared to best available CPU implementations of the theory on a 2563grid. (C) 2016 Elsevier Inc. 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 |
New York |
Editor |
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Language |
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Wos |
000381585100010 |
Publication Date |
2016-06-28 |
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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 |
0021-9991 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.744 |
Times cited |
4 |
Open Access |
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Notes |
; This work was supported through research grants from Brazilian agencies CNPq (306719/2012-6, 140840/2016-8) and FACEPE (IBPG-0510-1.03/15), BOF-UA, and the Research Foundation-Flanders (FWO-Vlaanderen). ; |
Approved |
Most recent IF: 2.744 |
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Call Number |
UA @ lucian @ c:irua:137115 |
Serial |
4354 |
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Author |
Xiao, Y.M.; Xu, W.; Van Duppen, B.; Peeters, F.M. |
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Title |
Infrared to terahertz optical conductivity of n-type and p-type monolayer MoS2 in the presence of Rashba spin-orbit coupling |
Type |
A1 Journal article |
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Year |
2016 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
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Volume |
94 |
Issue |
94 |
Pages |
155432 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We investigate the effect of Rashba spin-orbit coupling (SOC) on the optoelectronic properties of n- and p-type monolayer MoS2. The optical conductivity is calculated within the Kubo formalism. We find that the spin-flip transitions enabled by the Rashba SOC result in a wide absorption window in the optical spectrum. Furthermore, we evaluate the effects of the polarization direction of the radiation, temperature, carrier density, and the strength of the Rashba spin-orbit parameter on the optical conductivity. We find that the position, width, and shape of the absorption peak or absorption window can be tuned by varying these parameters. This study shows that monolayer MoS2 can be a promising tunable optical and optoelectronic material that is active in the infrared to terahertz spectral range. |
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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 |
000386097800003 |
Publication Date |
2016-10-18 |
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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 |
2469-9950;2469-9969; |
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 |
20 |
Open Access |
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Notes |
; Y.M.X. acknowledges financial support from the China Scholarship Council (CSC). This work was also supported by the National Natural Science Foundation of China (Grant No. 11574319), Ministry of Science and Technology of China (Grant No. 2011YQ130018), Department of Science and Technology of Yunnan Province, and by the Chinese Academy of Sciences. B.V.D. is supported by a Ph.D. fellowship from the Flemish Science Foundation. ; |
Approved |
Most recent IF: 3.836 |
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Call Number |
UA @ lucian @ c:irua:138175 |
Serial |
4355 |
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Author |
Yagmurcukardes, M.; Senger, R.T.; Peeters, F.M.; Sahin, H. |
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Title |
Mechanical properties of monolayer GaS and GaSe crystals |
Type |
A1 Journal article |
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Year |
2016 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
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Volume |
94 |
Issue |
94 |
Pages |
245407 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The mechanical properties of monolayer GaS and GaSe crystals are investigated in terms of their elastic constants: in-plane stiffness (C), Poisson ratio (nu), and ultimate strength (sigma(U)) by means of first-principles calculations. The calculated elastic constants are compared with those of graphene and monolayer MoS2. Our results indicate that monolayer GaS is a stiffer material than monolayer GaSe crystals due to the more ionic character of the Ga-S bonds than the Ga-Se bonds. Although their Poisson ratio values are very close to each other, 0.26 and 0.25 for GaS and GaSe, respectively, monolayer GaS is a stronger material than monolayer GaSe due to its slightly higher sU value. However, GaS and GaSe crystals are found to be more ductile and flexible materials than graphene and MoS2. We have also analyzed the band-gap response of GaS and GaSe monolayers to biaxial tensile strain and predicted a semiconductor-metal crossover after 17% and 14% applied strain, respectively, for monolayer GaS and GaSe. In addition, we investigated how the mechanical properties are affected by charging. We found that the flexibility of single layer GaS and GaSe displays a sharp increase under 0.1e/cell charging due to the repulsive interactions between extra charges located on chalcogen atoms. These charging-controllable mechanical properties of single layers of GaS and GaSe can be of potential use for electromechanical applications. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000389503400008 |
Publication Date |
2016-12-05 |
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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 |
2469-9950;2469-9969; |
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 |
108 |
Open Access |
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Notes |
; Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H.S. acknowledges support from Bilim Akademisi-The Science Academy, Turkey under the BAGEP program. R.T.S. acknowledges the support from TUBITAK through project 114F397. ; |
Approved |
Most recent IF: 3.836 |
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Call Number |
UA @ lucian @ c:irua:139229 |
Serial |
4356 |
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Author |
Fatima; Oguz, I.C.; Çakir, D.; Hossain, S.; Mohottige, R.; Gulseren, O.; Oncel, N. |
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Title |
On the structural and electronic properties of Ir-silicide nanowires on Si(001) surface |
Type |
A1 Journal article |
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Year |
2016 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
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Volume |
120 |
Issue |
120 |
Pages |
095303 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Iridium (Ir) modified Silicon (Si) (001) surface is studied with Scanning Tunneling Microscopy/Spectroscopy (STM/STS) and Density Functional Theory (DFT). A model for Ir-silicide nanowires based on STM images and ab-initio calculations is proposed. According to our model, the Ir adatom is on the top of the substrate dimer row and directly binds to the dimer atoms. I-V curves measured at 77K shows that the nanowires are metallic. DFT calculations confirm strong metallic nature of the nanowires. Published by AIP Publishing. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000383978100030 |
Publication Date |
2016-09-01 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0021-8979; 1089-7550 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.068 |
Times cited |
7 |
Open Access |
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Notes |
; We gratefully acknowledge the NSF (Grant No. DMR-1306101) for financial support. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure), and HPC infrastructure of the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules foundation. ; |
Approved |
Most recent IF: 2.068 |
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Call Number |
UA @ lucian @ c:irua:137132 |
Serial |
4359 |
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| Permanent link to this record |
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Author |
Khoeini, F.; Shakouri; Peeters, F.M. |
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Title |
Peculiar half-metallic state in zigzag nanoribbons of MoS2 : spin filtering |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
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| |
Volume |
94 |
Issue |
94 |
Pages |
125412 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Layered structures of molybdenum disulfide (MoS2) belong to a new class of two-dimensional (2D) semiconductor materials in which monolayers exhibit a direct band gap in their electronic spectrum. This band gap has recently been shown to vanish due to the presence of metallic edge modes when MoS2 monolayers are terminated by zigzag edges on both sides. Here, we demonstrate that a zigzag nanoribbon of MoS2, when exposed to an external exchange field in combination with a transverse electric field, has the potential to exhibit a peculiar half-metallic nature and thereby allows electrons of only one spin direction to move. The peculiarity of such spin-selective conductors originates from a spin switch near the gap-closing region, so the allowed spin orientation can be controlled by means of an external gate voltage. It is shown that the induced half-metallic phase is resistant to random fluctuations of the exchange field as well as the presence of edge vacancies. |
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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 |
000383238800009 |
Publication Date |
2016-09-09 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2469-9950;2469-9969; |
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 |
; ; |
Approved |
Most recent IF: 3.836 |
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Call Number |
UA @ lucian @ c:irua:137130 |
Serial |
4360 |
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| Permanent link to this record |
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Author |
Van der Donck, M.; De Beule, C.; Partoens, B.; Peeters, F.M.; Van Duppen, B. |
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| |
Title |
Piezoelectricity in asymmetrically strained bilayer graphene |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
2D materials |
Abbreviated Journal |
2D Mater |
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| |
Volume |
3 |
Issue |
3 |
Pages |
035015 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We study the electronic properties of commensurate faulted bilayer graphene by diagonalizing the one-particle Hamiltonian of the bilayer system in a complete basis of Bloch states of the individual graphene layers. Our novel approach is very general and can be easily extended to any commensurate graphene-based heterostructure. Here, we consider three cases: (i) twisted bilayer graphene, (ii) bilayer graphene where triaxial stress is applied to one layer and (iii) bilayer graphene where uniaxial stress is applied to one layer. We show that the resulting superstructures can be divided into distinct classes, depending on the twist angle or the magnitude of the induced strain. The different classes are distinguished from each other by the interlayer coupling mechanism, resulting in fundamentally different low-energy physics. For the cases of triaxial and uniaxial stress, the individual graphene layers tend to decouple and we find significant charge transfer between the layers. In addition, this piezoelectric effect can be tuned by applying a perpendicular electric field. Finally, we show how our approach can be generalized to multilayer systems. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
IOP Publishing |
Place of Publication |
Bristol |
Editor |
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Language |
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Wos |
000384072500003 |
Publication Date |
2016-08-31 |
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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 |
|
Series Issue |
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Edition |
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| |
ISSN |
2053-1583 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
6.937 |
Times cited |
10 |
Open Access |
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| |
Notes |
; This work was supported by the Research Foundation-Flanders (FWO-Vl) through aspirant research grants to MVDD, CDB, and BVD. ; |
Approved |
Most recent IF: 6.937 |
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| |
Call Number |
UA @ lucian @ c:irua:137203 |
Serial |
4361 |
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| Permanent link to this record |
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Author |
Callewaert, V.; Shastry, K.; Saniz, R.; Makkonen, I.; Barbiellini, B.; Assaf, B.A.; Heiman, D.; Moodera, J.S.; Partoens, B.; Bansil, A.; Weiss, A.H.; |
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| |
Title |
Positron surface state as a spectroscopic probe for characterizing surfaces of topological insulator materials |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
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| |
Volume |
94 |
Issue |
94 |
Pages |
115411 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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| |
Abstract |
Topological insulators are attracting considerable interest due to their potential for technological applications and as platforms for exploring wide-ranging fundamental science questions. In order to exploit, fine-tune, control, and manipulate the topological surface states, spectroscopic tools which can effectively probe their properties are of key importance. Here, we demonstrate that positrons provide a sensitive probe for topological states and that the associated annihilation spectrum provides a technique for characterizing these states. Firm experimental evidence for the existence of a positron surface state near Bi2Te2Se with a binding energy of E-b = 2.7 +/- 0.2 eV is presented and is confirmed by first-principles calculations. Additionally, the simulations predict a significant signal originating from annihilation with the topological surface states and show the feasibility to detect their spin texture through the use of spin-polarized positron beams. |
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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 |
000383232800012 |
Publication Date |
2016-09-06 |
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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 |
2469-9950;2469-9969; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
3.836 |
Times cited |
15 |
Open Access |
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| |
Notes |
; I.M. acknowledges discussions with M. Ervasti and A. Harju. V.C. and R.S. were supported by the FWO-Vlaanderen through Project No. G. 0224.14N. The computational resources and services used in this paper were, in part, provided by the VSC (Flemish Supercomputer Center) and the HPC infrastructure of the University of Antwerp (CalcUA), both funded by the Hercules Foundation and the Flemish Government (EWI Department). I.M. acknowledges financial support from the Academy of Finland (Projects No. 285809 and No. 293932). The work at Northeastern University was supported by the U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences Grant No. DE-FG02-07ER46352 and benefited from Northeastern University's Advanced Scientific Computation Center (ASCC) and the NERSC supercomputing center through DOE Grant No. DE-AC02-05CH11231. K.S. and A.W. acknowledge financial support from the National Science Foundation through Grants No. DMR-MRI-1338130 and No. DMR-1508719. D.H. received financial support from the National Science Foundation (Grant No. ECCS-1402738). J.S.M. was supported by the STC Center for Integrated Quantum Materials under NSF Grants No. DMR-1231319, No. DMR-1207469, and ONR Grant No. N00014-13-1-0301. B.A.A. also acknowledges support from the LabEx ENS-ICFP Grant No. ANR-10-LABX-0010/ANR-10-IDEX-0001-02 PSL. ; |
Approved |
Most recent IF: 3.836 |
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| |
Call Number |
UA @ lucian @ c:irua:137134 |
Serial |
4362 |
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| Permanent link to this record |
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Author |
Tomak, A.; Bacaksiz, C.; Mendirek, G.; Sahin, H.; Hur, D.; Gorgun, K.; Senger, R.T.; Birer, O.; Peeters, F.M.; Zareie, H.M. |
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Title |
Structural changes in a Schiff base molecular assembly initiated by scanning tunneling microscopy tip |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
Nanotechnology |
Abbreviated Journal |
Nanotechnology |
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| |
Volume |
27 |
Issue |
27 |
Pages |
335601 |
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| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
We report the controlled self-organization and switching of newly designed Schiff base (E)-4-((4-(phenylethynyl) benzylidene) amino) benzenethiol (EPBB) molecules on a Au (111) surface at room temperature. Scanning tunneling microscopy and spectroscopy (STM/STS) were used to image and analyze the conformational changes of the EPBB molecules. The conformational change of the molecules was induced by using the STM tip while increasing the tunneling current. The switching of a domain or island of molecules was shown to be induced by the STM tip during scanning. Unambiguous fingerprints of the switching mechanism were observed via STM/STS measurements. Surface-enhanced Raman scattering was employed, to control and identify quantitatively the switching mechanism of molecules in a monolayer. Density functional theory calculations were also performed in order to understand the microscopic details of the switching mechanism. These calculations revealed that the molecular switching behavior stemmed from the strong interaction of the EPBB molecules with the STM tip. Our approach to controlling intermolecular mechanics provides a path towards the bottom-up assembly of more sophisticated molecular machines. |
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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 |
000383780500012 |
Publication Date |
2016-07-05 |
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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 |
0957-4484 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
3.44 |
Times cited |
2 |
Open Access |
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Notes |
; The authors acknowledge financial support from TUBITAK (PROJECT NO: 112T507). This work was also supported by the Flemish Science Foundation (FWO-Vl). Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid-Infrastructure). HS is supported by an FWO Pegasus Long Marie Curie Fellowship. ; |
Approved |
Most recent IF: 3.44 |
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| |
Call Number |
UA @ lucian @ c:irua:137155 |
Serial |
4363 |
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| Permanent link to this record |
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Author |
Yagmurcukardes, M.; Torun, E.; Senger, R.T.; Peeters, F.M.; Sahin, H. |
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Title |
Mg(OH)2-WS2 van der Waals heterobilayer : electric field tunable band-gap crossover |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
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| |
Volume |
94 |
Issue |
94 |
Pages |
195403 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Magnesium hydroxide [Mg(OH)(2)] has a layered brucitelike structure in its bulk form and was recently isolated as a new member of two-dimensional monolayer materials. We investigated the electronic and optical properties of monolayer crystals of Mg(OH)(2) and WS2 and their possible heterobilayer structure by means of first-principles calculations. It was found that both monolayers of Mg(OH)(2) and WS2 are direct-gap semiconductors and these two monolayers form a typical van der Waals heterostructure with a weak interlayer interaction and a type-II band alignment with a staggered gap that spatially separates electrons and holes. We also showed that an out-of-plane electric field induces a transition from a staggered to a straddling-type heterojunction. Moreover, by solving the Bethe-Salpeter equation on top of single-shot G(0)W(0) calculations, we show that the low-energy spectrum of the heterobilayer is dominated by the intralyer excitons of the WS2 monolayer. Because of the staggered interfacial gap and the field-tunable energy-band structure, the Mg(OH)(2)-WS2 heterobilayer can become an important candidate for various optoelectronic device applications in nanoscale. |
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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 |
000386769400007 |
Publication Date |
2016-11-03 |
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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 |
2469-9950;2469-9969; |
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 |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem foundation of the Flemish government. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H.S. is supported by a FWOPegasus Long Marie Curie Fellowship. H.S. and R.T.S. acknowledge support from TUBITAK through Project No. 114F397. H.S. acknowledges support from Bilim Akademisi – The Science Academy, Turkey, under the BAGEP program. ; |
Approved |
Most recent IF: 3.836 |
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Call Number |
UA @ lucian @ c:irua:138205 |
Serial |
4364 |
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Author |
Shumilin, A.V.; Baranov, V.V.; Kabanov, V.V. |
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Title |
Upper critical field in the model with finite-range interaction between electrons |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
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| |
Volume |
94 |
Issue |
94 |
Pages |
174506 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We develop a theory of the upper critical field in a BCS superconductor with a nonlocal interaction between electrons. We have shown that the nonlocal interaction is characterized by the parameter k(F)rho(0), where k(F) is the Fermi momentum and rho(0) is the radius of electron-electron interaction. The presence of the external magnetic field leads to the generation of additional components of the order parameter with different angular momenta. This effect leads to the enhancement of the upper critical field above the orbital limiting field. In addition the upward curvature in the temperature dependence of H-c2 (T) in the clean limit is predicted. The impurity scattering suppresses the effect in the dirty limit. |
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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 |
000387884100005 |
Publication Date |
2016-11-14 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2469-9950;2469-9969; |
ISBN |
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Additional Links |
UA library record; WoS full record |
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| |
Impact Factor |
3.836 |
Times cited |
|
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 3.836 |
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Call Number |
UA @ lucian @ c:irua:139166 |
Serial |
4365 |
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Author |
Eijt, S.W.H.; Shi, W.; Mannheim, A.; Butterling, M.; Schut, H.; Egger, W.; Dickmann, M.; Hugenschmidt, C.; Shakeri, B.; Meulenberg, R.W.; Callewaert, V.; Saniz, R.; Partoens, B.; Barbiellini, B.; Bansil, A.; Melskens, J.; Zeman, M.; Smets, A.H.M.; Kulbak, M.; Hodes, G.; Cahen, D.; Brück, E. |
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Title |
New insights into the nanostructure of innovative thin film solar cells gained by positron annihilation spectroscopy |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Journal of physics : conference series |
Abbreviated Journal |
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| |
Volume |
791 |
Issue |
791 |
Pages |
012021 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Recent studies showed that positron annihilation methods can provide key insights into the nanostructure and electronic structure of thin film solar cells. In this study, positron annihilation lifetime spectroscopy (PALS) is applied to investigate CdSe quantum dot (QD) light absorbing layers, providing evidence of positron trapping at the surfaces of the QDs. This enables one to monitor their surface composition and electronic structure. Further, 2D-Angular Correlation of Annihilation Radiation (2D-ACAR) is used to investigate the nanostructure of divacancies in photovoltaic-high-quality a-Si:H films. The collected momentum distributions were converted by Fourier transformation to the direct space representation of the electron-positron autocorrelation function. The evolution of the size of the divacancies as a function of hydrogen dilution during deposition of a-Si:H thin films was examined. Finally, we present a first positron Doppler Broadening of Annihilation Radiation (DBAR) study of the emerging class of highly efficient thin film solar cells based on perovskites. |
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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 |
000400610500021 |
Publication Date |
2017-02-22 |
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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 |
1742-6588 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
|
Times cited |
1 |
Open Access |
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Notes |
The work at Delft University of Technology was supported by the China Scholarship Council (CSC) grant of W.S., by ADEM, A green Deal in Energy Materials of the Ministry of Economic Affairs of The Netherlands (www.adem- innovationlab.nl), and the STW Vidi grant of A.S., Grant No. 10782. The PALS study is based upon experiments performed at the PLEPS instrument of the NEPOMUC facility at the Heinz Maier-Leibnitz Zentrum (MLZ), Garching, Germany, and was supported by the European Commission under the 7 th Framework Programme, Key Action: Strengthening the European Research Area, Research Infrastructures, Contract No. 226507, NMI3. The work at University of Maine was supported by the National Science Foundation under Grant No. DMR-1206940. Research at the University of Antwerp was supported by FWO grants G022414N and G015013. The work at Northeastern University was supported by the US Department of Energy (DOE), Office of Science, Basic Energy Sciences grant number DE-FG02-07ER46352 (core research), and benefited from Northeastern University's Advanced Scientific Computation Center (ASCC), the NERSC supercomputing center through DOE grant number DE-AC02-05CH11231, and support (applications to layered materials) from the DOE EFRC: Center for the Computational Design of Functional Layered Materials (CCDM) under DE-SC0012575. The work at the Weizmann Institute was supported by the Sidney E. Frank Foundation through the Israel Science Foundation, by the Israel Ministry of Science, and the Israel National Nano-Initiative. D.C. holds the Sylvia and Rowland Schaefer Chair in Energy Research. |
Approved |
Most recent IF: NA |
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Call Number |
CMT @ cmt @ c:irua:140850 |
Serial |
4426 |
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Author |
Goodvin, G.L.; Covaci, L.; Berciu, M. |
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Title |
Holstein polarons near surfaces |
Type |
A1 Journal article |
| |
Year |
2009 |
Publication |
Physical Review Letters |
Abbreviated Journal |
Phys Rev Lett |
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Volume |
103 |
Issue |
17 |
Pages |
176402 |
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Keywords |
A1 Journal article |
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Abstract |
We study the effects of a nearby surface on the spectral weight of a Holstein polaron, using the inhomogeneous momentum average approximation which is accurate over the entire range of electron-phonon (e-ph) coupling strengths. The broken translational symmetry is taken into account exactly. We find that the e-ph coupling gives rise to a large additional surface potential, with strong retardation effects, which may bind surface states even when they are not normally expected. The surface, therefore, has a significant effect and bulk properties are recovered only very far away from it. These results demonstrate that interpretation in terms of bulk quantities of spectroscopic data sensitive only to a few surface layers is not always appropriate. |
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Address |
Department of Physics and Astronomy, University of British Columbia, Vancouver, British Columbia, Canada V6T 1Z1 |
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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 |
English |
Wos |
000271164500042 |
Publication Date |
2009-10-22 |
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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 |
0031-9007 |
ISBN |
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Additional Links |
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Impact Factor |
8.462 |
Times cited |
8 |
Open Access |
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Notes |
|
Approved |
Most recent IF: 8.462; 2009 IF: 7.328 |
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Call Number |
UA @ lucian @ |
Serial |
4435 |
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Author |
Yusupov, M.; Van der Paal, J.; Neyts, E.C.; Bogaerts, A. |
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Title |
Synergistic effect of electric field and lipid oxidation on the permeability of cell membranes |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Biochimica et biophysica acta : G : general subjects |
Abbreviated Journal |
Bba-Gen Subjects |
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Volume |
1861 |
Issue |
1861 |
Pages |
839-847 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Background: Strong electric fields are knownto affect cell membrane permeability,which can be applied for therapeutic purposes, e.g., in cancer therapy. A synergistic enhancement of this effect may be accomplished by the presence of reactive oxygen species (ROS), as generated in cold atmospheric plasmas. Little is known about the synergy between lipid oxidation by ROS and the electric field, nor on howthis affects the cell membrane permeability.
Method: We here conduct molecular dynamics simulations to elucidate the dynamics of the permeation process under the influence of combined lipid oxidation and electroporation. A phospholipid bilayer (PLB), consisting of di-oleoyl-phosphatidylcholine molecules covered with water layers, is used as a model system for the plasma membrane.
Results and conclusions:Weshow howoxidation of the lipids in the PLB leads to an increase of the permeability of the bilayer to ROS, although the permeation free energy barriers still remain relatively high. More importantly, oxidation of the lipids results in a drop of the electric field threshold needed for pore formation (i.e., electroporation) in the PLB. The created pores in the membrane facilitate the penetration of reactive plasma species deep into the cell interior, eventually causing oxidative damage.
General significance: This study is of particular interest for plasma medicine, as plasma generates both ROS and electric fields, but it is also of more general interest for applications where strong electric fields and ROS both come into play. |
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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 |
000397366200012 |
Publication Date |
2017-01-27 |
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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 |
0304-4165 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.702 |
Times cited |
|
Open Access |
OpenAccess |
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Notes |
This work is financially supported by the Fund for Scientific Research Flanders (FWO; grant numbers: 1200216N and 11U5416N). The work was carried out using the Turing HPC infrastructure of the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flem |
Approved |
Most recent IF: 4.702 |
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Call Number |
PLASMANT @ plasmant @ c:irua:140095 |
Serial |
4413 |
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Author |
De Bie, C.; van Dijk, J.; Bogaerts, A. |
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Title |
CO2Hydrogenation in a Dielectric Barrier Discharge Plasma Revealed |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
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Volume |
120 |
Issue |
120 |
Pages |
25210-25224 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
The hydrogenation of carbon dioxide in a dielectric barrier discharge plasma is studied with a one-dimensional fluid model. The spatially averaged densities of the most important end products formed in the CO2/H2 mixture are determined as a function of the initial gas mixing ratio. CO and H2O are found to be present at the highest densities and to a lower content also CH4, C2H6, CH2O, CH3OH, O2, and some other higher hydrocarbons and oxygenates. The main underlying reaction
pathways for the conversion of the inlet gases and the formation of CO, CH4, CH2O, and CH3OH are pointed out for various gas mixing ratios. The CO2 conversion and the production of value added products is found to be quite low, also in comparison to a CO2/CH4 mixture, and this can be explained by the model. |
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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 |
000387737900007 |
Publication Date |
2016-11-10 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1932-7447 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
4.536 |
Times cited |
16 |
Open Access |
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Notes |
Federaal Wetenschapsbeleid; Fonds Wetenschappelijk Onderzoek; |
Approved |
Most recent IF: 4.536 |
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Call Number |
PLASMANT @ plasmant @ c:irua:140082 c:irua:139167 |
Serial |
4414 |
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Author |
Ozkan, A.; Bogaerts, A.; Reniers, F. |
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Title |
Routes to increase the conversion and the energy efficiency in the splitting of CO2by a dielectric barrier discharge |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Journal of physics: D: applied physics |
Abbreviated Journal |
J Phys D Appl Phys |
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Volume |
50 |
Issue |
50 |
Pages |
084004 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Here, we present routes to increase CO2 conversion into CO using an atmospheric pressure dielectric-barrier discharge. The change in conversion as a function of simple plasma parameters, such as power, flow rate, but also frequency, on-and-off power pulse, thickness and the chemical nature of the dielectric, wall and gas temperature, are described. By means of an in-depth electrical characterization of the discharge (effective plasma voltage, dielectric voltage, plasma current, number and lifetime of the microdischarges), combined with infrared analysis of the walls of the reactor, optical emission spectroscopy for the gas temperature, and mass spectrometry for the CO2 conversion, we propose a global interpretation of the effect of all the experimental parameters on the conversion and efficiency of the reaction. |
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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 |
000395400700001 |
Publication Date |
2017-01-30 |
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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 |
0022-3727 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.588 |
Times cited |
28 |
Open Access |
OpenAccess |
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Notes |
The authors acknowledge financial support from the IAPVII/ 12, P7/34 (Interuniversity Attraction Pole) program PSIPhysical Chemistry of Plasma–Surface Interaction financially supported by the Belgian Federal Office for Science Policy (BELSPO). A Ozkan would like to thank the financial support given by the Fonds David et Alice Van Buuren. |
Approved |
Most recent IF: 2.588 |
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Call Number |
PLASMANT @ plasmant @ c:irua:140093 |
Serial |
4415 |
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| Permanent link to this record |
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Author |
Bogaerts, A.; Aghaei, M. |
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Title |
Inductively coupled plasma-mass spectrometry: insights through computer modeling |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Journal of analytical atomic spectrometry |
Abbreviated Journal |
J Anal Atom Spectrom |
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| |
Volume |
32 |
Issue |
32 |
Pages |
233-261 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
In this tutorial review paper, we illustrate how computer modeling can contribute to a better insight in inductively coupled plasma-mass spectrometry (ICP-MS). We start with a brief overview on previous efforts, studying the fundamentals of the ICP and ICP-MS, with main focus on previous modeling activities. Subsequently, we explain in detail the model that we developed in previous years, and we show typical calculation results, illustrating the plasma characteristics, gas flow patterns and the sample transport, evaporation and ionization. We also present the effect of various experimental parameters, such as operating conditions, geometrical aspects and sample characteristics, to illustrate how modeling can help to elucidate the optimal conditions for improved analytical performance. |
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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 |
000395529800002 |
Publication Date |
2016-12-07 |
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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 |
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Series Issue |
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Edition |
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ISSN |
0267-9477 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.379 |
Times cited |
14 |
Open Access |
OpenAccess |
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Notes |
The authors are very grateful to H. Lindner for the initial model development and for the many interesting discussions. They also gratefully acknowledge nancial support from the Fonds voor Wetenschappelijk Onderzoek (FWO; Grant number 6713). The calculations were carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UAntwerpen), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UAntwerpen. |
Approved |
Most recent IF: 3.379 |
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Call Number |
PLASMANT @ plasmant @ c:irua:140074 |
Serial |
4416 |
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Author |
Lu, J.; Bartholomeeusen, E.; Sels, B.F.; Schryvers, D. |
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Title |
Internal architecture of coffin-shaped ZSM-5 zeolite crystals with hourglass contrast unravelled by focused ion beam-assisted transmission electron microscopy: INTERNAL ARCHITECTURE OF COFFIN-SHAPED |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Journal of microscopy |
Abbreviated Journal |
J Microsc-Oxford |
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| |
Volume |
265 |
Issue |
265 |
Pages |
27-33 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Optical microscopy, focused ion beam and transmission electron microscopy are combined to study the internal architecture in a coffin-shaped ZSM-5 crystal showing an hourglass contrast in optical microscopy. Based on parallel lamellas from different positions in the crystal, the orientation relationships between the intergrowth components of the crystal are studied and the internal architecture and growth mechanism are illustrated. The crystal is found to contain two pyramid-like components aside from a central component. Both pyramid-like components are rotated by 90 degrees along the common c-axis and with respect to the central component while the interfaces between the components show local zig-zag feature, the latter indicating variations in relative growth velocity of the two components. The pyramid-like intergrowth components are larger and come closer to one another in the middle of the crystal than at the edges, but they do not connect. A model of multisite nucleation and growth of 90 degrees intergrowth components is proposed. |
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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 |
000392487400004 |
Publication Date |
2016-08-19 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0022-2720 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.692 |
Times cited |
4 |
Open Access |
OpenAccess |
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Notes |
Fonds Wetenschappelijk Onderzoek, G.0603.10N ; |
Approved |
Most recent IF: 1.692 |
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Call Number |
EMAT @ emat @ c:irua:141015 |
Serial |
4437 |
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| Permanent link to this record |
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Author |
Van Aelst, J.; Philippaerts, A.; Turner, S.; Van Tendeloo, G.; Jacobs, P.; Sels, B. |
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Title |
Heterogeneous conjugation of vegetable oil with alkaline treated highly dispersed Ru/USY catalysts |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
Applied catalysis : A : general |
Abbreviated Journal |
Appl Catal A-Gen |
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Volume |
526 |
Issue |
526 |
Pages |
172-182 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Heterogeneous metal catalysts enable the direct conjugation of linoleic acid tails in vegetable oil to their conjugated linoleic acid (CIA) isomers. CIA-enriched oils are useful as renewable feedstock for the chemical industry and as nutraceutical. Up to now, a solvent-free process for conjugated oils without significant formation of undesired hydrogenation products was not existing. This work shows the design of Ru/USY catalysts able to directly conjugate highly unsaturated vegetable oils such as safflower oil in absence of solvent and hydrogen. Key is fast molecular transport of the bulky reagent and reactive product triglycerides in the zeolite crystal. A two-step zeolite post-synthetic treatment (with NH4OH and acetate salt) was applied to create the necessary mesoporosity. More open zeolite structures allow for a faster conjugation reaction, while securing a fast removal of the reactive conjugated triglycerides, otherwise rapidly deactivating through fouling and pore blockage by polymers. The best Ru/USY catalyst in this contribution is capable of producing exceptionally high yields of conjugated oils, containing up to almost 30 wt% conjugated fatty acid tails in safflower oil, at an initial production rate of 328 g(CLA) mL(-1) h(-1) per gram metal catalyst. (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 |
000384865600021 |
Publication Date |
2016-09-03 |
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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 |
0926-860x |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.339 |
Times cited |
1 |
Open Access |
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Notes |
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Approved |
Most recent IF: 4.339 |
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Call Number |
UA @ lucian @ c:irua:137242 |
Serial |
4383 |
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| Permanent link to this record |
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Author |
Kim, W.; Covaci, L.; Marsiglio, F. |
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Title |
Impurity scattering of wave packets on a lattice |
Type |
A1 Journal article |
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Year |
2006 |
Publication |
Physical Review B |
Abbreviated Journal |
Phys Rev B |
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Volume |
74 |
Issue |
20 |
Pages |
205120 |
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Keywords |
A1 Journal article |
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Abstract |
Quantum transport in a lattice is distinct from its counterpart in continuum media. Even a free wave packet travels differently in a lattice than in the continuum. We describe quantum scattering in a one-dimensional lattice and illustrate characteristics of quantum transport such as resonant transmission. In particular we examine the transport characteristics of a random trimer model. We demonstrate the real-time propagation of a wave packet and its phase shift due to impurity configurations. Spin-flip scattering is also taken into account in a spin-chain system. We show how individual spins in the chain evolve as a result of a spin-flip interaction between an incoming electron and a spin chain. |
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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 |
000242409400030 |
Publication Date |
2006-11-27 |
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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 |
1098-0121 |
ISBN |
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Additional Links |
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Impact Factor |
3.836 |
Times cited |
14 |
Open Access |
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Notes |
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Approved |
Most recent IF: 3.836; 2006 IF: 3.107 |
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Call Number |
UA @ lucian @ |
Serial |
4428 |
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| Permanent link to this record |
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Author |
Kim, W.; Covaci, L.; Marsiglio, F. |
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Title |
Hidden symmetries of electronic transport in a disordered one-dimensional lattice |
Type |
A1 Journal article |
| |
Year |
2006 |
Publication |
Physical Review B |
Abbreviated Journal |
Phys Rev B |
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Volume |
73 |
Issue |
19 |
Pages |
195109 |
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Keywords |
A1 Journal article |
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Abstract |
Correlated, or extended, impurities play an important role in the transport properties of dirty metals. Here, we examine, in the framework of a tight-binding lattice, the transmission of a single electron through an array of correlated impurities. In particular we show that particles transmit through an impurity array in identical fashion, regardless of the direction of traversal. The demonstration of this fact is straightforward in the continuum limit, but requires a detailed proof for the discrete lattice. We also briefly demonstrate and discuss the time evolution of these scattering states, to delineate regions (in time and space) where the aforementioned symmetry is violated. |
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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 |
000237950400042 |
Publication Date |
2006-05-11 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1098-0121 |
ISBN |
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Additional Links |
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Impact Factor |
3.836 |
Times cited |
5 |
Open Access |
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Notes |
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Approved |
Most recent IF: 3.836; 2006 IF: 3.107 |
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Call Number |
UA @ lucian @ |
Serial |
4429 |
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Author |
Kim, W.; Covaci, L.; Dogan, F.; Marsiglio, F. |
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Title |
Quantum mechanics of spin transfer in coupled electron-spin chains |
Type |
A1 Journal article |
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Year |
2007 |
Publication |
Epl |
Abbreviated Journal |
Epl-Europhys Lett |
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Volume |
79 |
Issue |
6 |
Pages |
67004 |
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Keywords |
A1 Journal article |
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Abstract |
The manner in which spin-polarized electrons interact with a magnetized thin film is currently described by a semi-classical approach. This in turn provides our present understanding of the spin transfer, or spin torque phenomenon. However, spin is an intrinsically quantum-mechanical quantity. Here, we make the first strides towards a fully quantum-mechanical description of spin transfer through spin currents interacting with a Heisenberg-coupled spin chain. Because of quantum entanglement, this requires a formalism based on the density matrix approach. Our description illustrates how individual spins in the chain time-evolve as a result of spin transfer. |
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Place of Publication |
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Language |
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Wos |
000250409500023 |
Publication Date |
2007-08-24 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0295-5075 |
ISBN |
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Additional Links |
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Impact Factor |
1.957 |
Times cited |
3 |
Open Access |
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Notes |
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Approved |
Most recent IF: 1.957; 2007 IF: 2.206 |
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Call Number |
UA @ lucian @ |
Serial |
4430 |
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Author |
Covaci, L.; Berciu, M. |
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Title |
Holstein polaron: The effect of coupling to multiple-phonon modes |
Type |
A1 Journal article |
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Year |
2007 |
Publication |
Epl |
Abbreviated Journal |
Epl-Europhys Lett |
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Volume |
80 |
Issue |
6 |
Pages |
67001 |
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Keywords |
A1 Journal article |
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Abstract |
We investigate the effects of coupling to multiple-phonon modes on the properties of a Holstein polaron. To this end, we generalize the Momentum Average approximations MA((0)) and MA((1)) to deal with multiple-phonon modes. As for a single-phonon mode, these approximations are found to be numerically very efficient. They become exact for very weak or very strong couplings, and are highly accurate in the intermediate regimes, e.g. the spectral weights obey exactly the first six, respectively eight, sum rules. Our results show that the effect on ground-state properties is cumulative in nature. As a result, if the effective coupling to one mode is much larger than to all the others, this mode effectively determines the ground-state properties. However, even very weak coupling to a second phonon mode has important non-perturbational effects on the higher-energy spectrum, in particular on the dispersion and the phonon statistics of the polaron band. This has important consequences on the analysis and interpretation of data for real materials. |
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Corporate Author |
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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 |
000251648300016 |
Publication Date |
2007-11-30 |
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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 |
0295-5075 |
ISBN |
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Additional Links |
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Impact Factor |
1.957 |
Times cited |
9 |
Open Access |
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Notes |
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Approved |
Most recent IF: 1.957; 2007 IF: 2.206 |
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Call Number |
UA @ lucian @ |
Serial |
4431 |
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Author |
Marchand, D.; Covaci, L.; Berciu, M.; Franz, M. |
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Title |
Giant proximity effect in a phase-fluctuating superconductor |
Type |
A1 Journal article |
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Year |
2008 |
Publication |
Physical Review Letters |
Abbreviated Journal |
Phys Rev Lett |
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Volume |
101 |
Issue |
9 |
Pages |
097004 |
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Keywords |
A1 Journal article |
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Abstract |
When a tunneling barrier between two superconductors is formed by a normal material that would be a superconductor in the absence of phase fluctuations, the resulting Josephson effect can undergo an enormous enhancement. We establish this novel proximity effect by a general argument as well as a numerical simulation and argue that it may underlie recent experimental observations of the giant proximity effect between two cuprate superconductors separated by a barrier made of the same material rendered normal by severe underdoping. |
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Address |
Department of Physics and Astronomy, University of British Columbia, Vancouver, BC, Canada V6T 1Z1 |
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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 |
English |
Wos |
000259195800055 |
Publication Date |
2008-08-28 |
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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 |
0031-9007 |
ISBN |
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Additional Links |
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Impact Factor |
8.462 |
Times cited |
17 |
Open Access |
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Notes |
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Approved |
Most recent IF: 8.462; 2008 IF: 7.180 |
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Call Number |
UA @ lucian @ |
Serial |
4433 |
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Author |
Covaci, L.; Berciu, M. |
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Title |
Polaron formation in the presence of Rashba spin-orbit coupling: implications for spintronics |
Type |
A1 Journal article |
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Year |
2009 |
Publication |
Physical Review Letters |
Abbreviated Journal |
Phys Rev Lett |
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Volume |
102 |
Issue |
18 |
Pages |
186403 |
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Keywords |
A1 Journal article |
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Abstract |
We study the effects of the Rashba spin-orbit coupling on polaron formation, using a suitable generalization of the momentum average approximation. While previous work on a parabolic band model found that spin-orbit coupling increases the effective mass, we show that the opposite holds for a tight-binding model, unless both the spin-orbit and the electron-phonon couplings are weak. It is thus possible to lower the effective mass of the polaron by increasing the spin-orbit coupling. We also show that when the spin-orbit coupling is large as compared to the phonon energy, the polaron retains only one of the spin-polarized bands in its coherent spectrum. This has major implications for the propagation of spin-polarized currents in such materials, and thus for spintronic applications. |
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Address |
Department of Physics, University of British Columbia, Vancouver, British Columbia, Canada, V6T 1Z1 |
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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 |
English |
Wos |
000265948600049 |
Publication Date |
2009-05-08 |
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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 |
0031-9007 |
ISBN |
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Additional Links |
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Impact Factor |
8.462 |
Times cited |
25 |
Open Access |
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Notes |
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Approved |
Most recent IF: 8.462; 2009 IF: 7.328 |
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Call Number |
UA @ lucian @ |
Serial |
4434 |
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Author |
Barreca, D.; Carraro, G.; Gasparotto, A.; Maccato, C.; Warwick, M.E.A.; Toniato, E.; Gombac, V.; Sada, C.; Turner, S.; Van Tendeloo, G.; Fornasiero, P.; |
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Title |
Iron-titanium oxide nanocomposites functionalized with gold particles : from design to solar hydrogen production |
Type |
A1 Journal article |
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Year |
2016 |
Publication |
Advanced Materials Interfaces |
Abbreviated Journal |
Adv Mater Interfaces |
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Volume |
3 |
Issue |
3 |
Pages |
1600348 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Hematite-titania nanocomposites, eventually functionalized with gold nanoparticles (NPs), are designed and developed by a plasma-assisted strategy, consisting in: (i) the plasma enhanced-chemical vapor deposition of -Fe2O3 on fluorine-doped tin oxide substrates; the radio frequency-sputtering of (ii) TiO2, and (iii) Au in controlled amounts. A detailed chemicophysical characterization, carried out through a multitechnique approach, reveals that the target materials are composed by interwoven -Fe2O3 dendritic structures, possessing a high porosity and active area. TiO2 introduction results in the formation of an ultrathin titania layer uniformly covering Fe2O3, whereas Au sputtering yields a homogeneous dispersion of low-sized gold NPs. Due to the intimate and tailored interaction between the single constituents and their optical properties, the resulting composite materials are successfully exploited for solar-driven applications. In particular, promising photocatalytic performances in H-2 production by reforming of water-ethanol solutions under simulated solar illumination are obtained. The related insights, presented and discussed in this work, can yield useful guidelines to boost the performances of nanostructured photocatalysts for energy-related applications. |
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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 |
000383783200021 |
Publication Date |
2016-07-20 |
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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 |
2196-7350; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
4.279 |
Times cited |
15 |
Open Access |
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Notes |
|
Approved |
Most recent IF: 4.279 |
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Call Number |
UA @ lucian @ c:irua:137154 |
Serial |
4389 |
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| Permanent link to this record |
