| Records |
| 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.; |
| 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 |
| Volume |
94 |
Issue |
94 |
Pages |
115411 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| 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. |
| 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 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2469-9950;2469-9969; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.836 |
Times cited |
15 |
Open Access  |
|
| 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 |
| Call Number |
UA @ lucian @ c:irua:137134 |
Serial |
4362 |
| Permanent link to this record |
| |
|
| |
| Author |
Tomak, A.; Bacaksiz, C.; Mendirek, G.; Sahin, H.; Hur, D.; Gorgun, K.; Senger, R.T.; Birer, O.; Peeters, F.M.; Zareie, H.M. |
| 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 |
| Volume |
27 |
Issue |
27 |
Pages |
335601 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
| 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. |
| 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 |
|
| Language |
|
Wos |
000383780500012 |
Publication Date |
2016-07-05 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0957-4484 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.44 |
Times cited |
2 |
Open Access |
|
| 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 |
| Call Number |
UA @ lucian @ c:irua:137155 |
Serial |
4363 |
| Permanent link to this record |
| |
|
| |
| Author |
Yagmurcukardes, M.; Torun, E.; Senger, R.T.; Peeters, F.M.; Sahin, H. |
| 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 |
| Volume |
94 |
Issue |
94 |
Pages |
195403 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| 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. |
| 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 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2469-9950;2469-9969; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.836 |
Times cited |
38 |
Open Access |
|
| 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 |
| Call Number |
UA @ lucian @ c:irua:138205 |
Serial |
4364 |
| Permanent link to this record |
| |
|
| |
| Author |
Shumilin, A.V.; Baranov, V.V.; Kabanov, V.V. |
| 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 |
| Volume |
94 |
Issue |
94 |
Pages |
174506 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| 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. |
| 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 |
000387884100005 |
Publication Date |
2016-11-14 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2469-9950;2469-9969; |
ISBN |
|
Additional Links |
UA library record; WoS full record |
| Impact Factor |
3.836 |
Times cited |
|
Open Access |
|
| Notes |
; ; |
Approved |
Most recent IF: 3.836 |
| Call Number |
UA @ lucian @ c:irua:139166 |
Serial |
4365 |
| Permanent link to this record |
| |
|
| |
| Author |
Yu, H.; Kopach, A.; Misko, V.R.; Vasylenko, A.A.; Makarov, D.; Marchesoni, F.; Nori, F.; Baraban, L.; Cuniberti, G. |
| Title |
Confined Catalytic Janus Swimmers in a Crowded Channel: Geometry-Driven Rectification Transients and Directional Locking |
Type |
A1 Journal article |
| Year |
2016 |
Publication |
Small |
Abbreviated Journal |
Small |
| Volume |
12 |
Issue |
12 |
Pages |
5882-5890 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
| Abstract |
Self-propelled Janus particles, acting as microscopic vehicles, have the potential to perform complex tasks on a microscopic scale, suitable, e.g., for environmental applications, on-chip chemical information processing, or in vivo drug delivery. Development of these smart nanodevices requires a better understanding of how synthetic swimmers move in crowded and confined environments that mimic actual biosystems, e.g., network of blood vessels. Here, the dynamics of self-propelled Janus particles interacting with catalytically passive silica beads in a narrow channel is studied both experimentally and through numerical simulations. Upon varying the area density of the silica beads and the width of the channel, active transport reveals a number of intriguing properties, which range from distinct bulk and boundary-free diffusivity at low densities, to directional “locking” and channel “unclogging” at higher densities, whereby a Janus swimmer is capable of transporting large clusters of passive particles. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
Weinheim |
Editor |
|
| Language |
|
Wos |
000389403900010 |
Publication Date |
2016-09-15 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1613-6810 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
8.643 |
Times cited |
14 |
Open Access |
|
| Notes |
; H.Y., A.K., and L.B. contributed equally to this work. This work was funded in part by the European Union (ERDF) and the Free State of Saxony via the ESF project InnoMedTec, the DFG cluster for Excellence, the Center for Advancing Electronics Dresden (CfAED), and via the European Research Council under the European Union's Seventh Framework program (FP7/2007-2013)/ERC grant agreement no. 306277. V.R.M. and A.A.V. acknowledge support from the Odysseus Program of the Flemish Government and the FWO-VI. F.N. is partially supported by the RIKEN iTHES Project, the MURI Center for Dynamic Magneto-Optics via the AFOSR Grant No. FA9550-14-1-0040, the IMPACT program of the JST, and a Grant-in-Aid for the Scientific Research (A). ; |
Approved |
Most recent IF: 8.643 |
| Call Number |
UA @ lucian @ c:irua:140256 |
Serial |
4453 |
| Permanent link to this record |
| |
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| |
| Author |
Klimin, S.N.; Tempère, J.; Misko, V.R.; Wouters, M. |
| Title |
Finite-temperature Wigner solid and other phases of ripplonic polarons on a helium film |
Type |
A1 Journal article |
| Year |
2016 |
Publication |
European physical journal : B : condensed matter and complex systems |
Abbreviated Journal |
Eur Phys J B |
| Volume |
89 |
Issue |
89 |
Pages |
172 |
| Keywords |
A1 Journal article; Theory of quantum systems and complex systems; Condensed Matter Theory (CMT) |
| Abstract |
Electrons on liquid helium can form different phases depending on density, and temperature. Also the electron-ripplon coupling strength influences the phase diagram, through the formation of so-called “ripplonic polarons”, that change how electrons are localized, and that shifts the transition between the Wigner solid and the liquid phase. We use an all-coupling, finite-temperature variational method to study the formation of a ripplopolaron Wigner solid on a liquid helium film for different regimes of the electron-ripplon coupling strength. In addition to the three known phases of the ripplopolaron system (electron Wigner solid, polaron Wigner solid, and electron fluid), we define and identify a fourth distinct phase, the ripplopolaron liquid. We analyse the transitions between these four phases and calculate the corresponding phase diagrams. This reveals a reentrant melting of the electron solid as a function of temperature. The calculated regions of existence of the Wigner solid are in agreement with recent experimental data. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
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Place of Publication |
Berlin |
Editor |
|
| Language |
|
Wos |
000391225200001 |
Publication Date |
2016-07-28 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1434-6028 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.461 |
Times cited |
1 |
Open Access |
|
| Notes |
; We thank A.S. Mishchenko and D.G. Rees for valuable discussions. This research has been supported by the Flemish Research Foundation (FWO-Vl), Project Nos. G.0115.12N, G.0119.12N, G.0122.12N, G.0429.15N, by the Scientific Research Network of the Research Foundation-Flanders, WO.033.09N, and by the Research Fund of the University of Antwerp. ; |
Approved |
Most recent IF: 1.461 |
| Call Number |
UA @ lucian @ c:irua:140351 |
Serial |
4454 |
| Permanent link to this record |
| |
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| |
| Author |
Neilson, D.; Perali, A.; Zarenia, M. |
| Title |
Many-body electron correlations in graphene |
Type |
P1 Proceeding |
| Year |
2016 |
Publication |
(mbt18) |
Abbreviated Journal |
|
| Volume |
702 |
Issue |
702 |
Pages |
012008 |
| Keywords |
P1 Proceeding; Condensed Matter Theory (CMT) |
| Abstract |
The conduction electrons in graphene promise new opportunities to access the region of strong many-body electron-electron correlations. Extremely high quality, atomically flat two-dimensional electron sheets and quasi-one-dimensional electron nanoribbons with tuneable band gaps that can be switched on by gates, should exhibit new many-body phenomena that have long been predicted for the regions of phase space where the average Coulomb repulsions between electrons dominate over their Fermi energies. In electron nanoribbons a few nanometres wide etched in monolayers of graphene, the quantum size effects and the van Hove singularities in their density of states further act to enhance electron correlations. For graphene multilayers or nanoribbons in a double unit electron-hole geometry, it is possible for the many-body electron-hole correlations to be made strong enough to stabilise high-temperature electron- hole superfluidity. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
Iop publishing ltd |
Place of Publication |
Bristol |
Editor |
|
| Language |
|
Wos |
000389756000008 |
Publication Date |
2016-04-29 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
702 |
Series Issue |
|
Edition |
|
| ISSN |
1742-6588; 1742-6596 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
|
Times cited |
3 |
Open Access |
|
| Notes |
; ; |
Approved |
Most recent IF: NA |
| Call Number |
UA @ lucian @ c:irua:140268 |
Serial |
4455 |
| Permanent link to this record |
| |
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| |
| Author |
Fernández Becerra, V.; Milošević, M.V. |
| Title |
Multichiral ground states in mesoscopic p-wave superconductors |
Type |
A1 Journal article |
| Year |
2016 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
| Volume |
94 |
Issue |
94 |
Pages |
184517 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
Using Ginzburg-Landau formalism, we investigate the effect of confinement on the ground state of mesoscopic chiral p-wave superconductors in the absence of magnetic field. We reveal stable multichiral states with domain walls separating the regions with different chiralities, as well as monochiral states with spontaneous currents flowing along the edges. We show that multichiral states can exhibit identifying signatures in the spatial profile of the magnetic field if those are not screened by edge currents in the case of strong confinement. Such magnetic detection of domain walls in topological superconductors can serve as long-sought evidence of broken time-reversal symmetry. Furthermore, when applying electric current to mesoscopic p-wave samples, we found a hysteretic behavior in the current-voltage characteristic that distinguishes states with and without domain walls, thereby providing another useful hallmark for indirect confirmation of chiral p-wave superconductivity. |
| 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 |
000388816700001 |
Publication Date |
2016-11-30 |
| Series Editor |
|
Series Title |
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Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2469-9950;2469-9969; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.836 |
Times cited |
7 |
Open Access |
|
| Notes |
; This work was supported by the Research Foundation-Flanders (FWO-Vlaanderen), the COST-EU action MP1201, and the MultiSuper network. ; |
Approved |
Most recent IF: 3.836 |
| Call Number |
UA @ lucian @ c:irua:139241 |
Serial |
4456 |
| Permanent link to this record |
| |
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| |
| Author |
Yagmurcukardes, M.; Peeters, F.M.; Senger, R.T.; Sahin, H. |
| Title |
Nanoribbons: From fundamentals to state-of-the-art applications |
Type |
A1 Journal article |
| Year |
2016 |
Publication |
Applied physics reviews |
Abbreviated Journal |
Appl Phys Rev |
| Volume |
3 |
Issue |
3 |
Pages |
041302 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
Atomically thin nanoribbons (NRs) have been at the forefront of materials science and nanoelectronics in recent years. State-of-the-art research on nanoscale materials has revealed that electronic, magnetic, phononic, and optical properties may differ dramatically when their one-dimensional forms are synthesized. The present article aims to review the recent advances in synthesis techniques and theoretical studies on NRs. The structure of the review is organized as follows: After a brief introduction to low dimensional materials, we review different experimental techniques for the synthesis of graphene nanoribbons (GNRs) with their advantages and disadvantages. In addition, theoretical investigations on width and edge-shape-dependent electronic and magnetic properties, functionalization effects, and quantum transport properties of GNRs are reviewed. We then devote time to the NRs of the transition metal dichalcogenides (TMDs) family. First, various synthesis techniques, E-field-tunable electronic and magnetic properties, and edge-dependent thermoelectric performance of NRs of MoS2 and WS2 are discussed. Then, strongly anisotropic properties, growth-dependent morphology, and the weakly width-dependent bandgap of ReS2 NRs are summarized. Next we discuss TMDs having a T-phase morphology such as TiSe2 and stable single layer NRs of mono-chalcogenides. Strong edge-type dependence on characteristics of GaS NRs, width-dependent Seebeck coefficient of SnSe NRs, and experimental analysis on the stability of ZnSe NRs are reviewed. We then focus on the most recently emerging NRs belonging to the class of transition metal trichalcogenides which provide ultra-high electron mobility and highly anisotropic quasi-1D properties. In addition, width-, edge-shape-, and functionalization-dependent electronic and mechanical properties of blackphosphorus, a monoatomic anisotropic material, and studies on NRs of group IV elements (silicene, germanene, and stanene) are reviewed. Observation of substrate-independent quantum well states, edge and width dependent properties, the topological phase of silicene NRs are reviewed. In addition, H-2 concentration-dependent transport properties and anisotropic dielectric function of GeNRs and electric field and strain sensitive I-V characteristics of SnNRs are reviewed. We review both experimental and theoretical studies on the NRs of group III-V compounds. While defect and N-termination dependent conductance are highlighted for boron nitride NRs, aluminum nitride NRs are of importance due to their dangling bond, electric field, and strain dependent electronic and magnetic properties. Finally, superlattice structure of NRs of GaN/AlN, Si/Ge, G/BN, and MoS2/WS2 is reviewed. Published by AIP Publishing. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
Amer inst physics |
Place of Publication |
Melville |
Editor |
|
| Language |
|
Wos |
000390443800013 |
Publication Date |
2016-11-14 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1931-9401 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
13.667 |
Times cited |
63 |
Open Access |
|
| Notes |
; Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H.S. acknowledges the support from Bilim Akademisi-The Science Academy, Turkey under the BAGEP program. R.T.S. acknowledges the support from TUBITAK through Project No. 114F397. F.M.P. was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem program. ; |
Approved |
Most recent IF: 13.667 |
| Call Number |
UA @ lucian @ c:irua:140299 |
Serial |
4457 |
| Permanent link to this record |
| |
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| |
| Author |
Iyikanat, F.; Senger, R.T.; Peeters, F.M.; Sahin, H. |
| Title |
Quantum-Transport Characteristics of a p-n Junction on Single-Layer TiS3 |
Type |
A1 Journal article |
| Year |
2016 |
Publication |
ChemPhysChem : a European journal of chemical physics and physical chemistry |
Abbreviated Journal |
Chemphyschem |
| Volume |
17 |
Issue |
17 |
Pages |
3985-3991 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
By using density functional theory and non-equilibrium Green's function-based methods, we investigated the electronic and transport properties of a TiS3 monolayer p-n junction. We constructed a lateral p-n junction on a TiS3 monolayer using Li and F adatoms. An applied bias voltage caused significant variability in the electronic and transport properties of the TiS3 p-n junction. In addition, the spin-dependent current-volt-age characteristics of the constructed TiS3 p-n junction were analyzed. Important device characteristics were found, such as negative differential resistance and rectifying diode behaviors for spin-polarized currents in the TiS3 p-n junction. These prominent conduction properties of the TiS3 p-n junction offer remarkable opportunities for the design of nanoelectronic devices based on a recently synthesized single-layered material. |
| Address |
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| Corporate Author |
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Thesis |
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| Publisher |
|
Place of Publication |
Weinheim |
Editor |
|
| Language |
|
Wos |
000389534800018 |
Publication Date |
2016-09-29 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1439-4235 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.075 |
Times cited |
12 |
Open Access |
|
| Notes |
; This work was supported by the bilateral project between TUBITAK (through Grant No. 113T050) and the Flemish Science Foundation (FWO-Vl). The calculations were performed at TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). FI, HS, and RTS acknowledge the support from TUBITAK Project No 114F397. H.S. acknowledges support from Bilim Akademisi-The Science Academy, Turkey under the BAGEP program. ; |
Approved |
Most recent IF: 3.075 |
| Call Number |
UA @ lucian @ c:irua:140245 |
Serial |
4458 |
| Permanent link to this record |
| |
|
| |
| Author |
Petrovic, M.D.; Peeters, F.M. |
| Title |
Quantum transport in graphene Hall bars: Effects of vacancy disorder |
Type |
A1 Journal article |
| Year |
2016 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
| Volume |
94 |
Issue |
94 |
Pages |
235413 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
Using the tight-binding model, we investigate the influence of vacancy disorder on electrical transport in graphene Hall bars in the presence of quantizing magnetic fields. Disorder, induced by a random distribution of monovacancies, breaks the graphene sublattice symmetry and creates states localized on the vacancies. These states are observable in the bend resistance, as well as in the total DOS. Their energy is proportional to the square root of the magnetic field, while their localization length is proportional to the cyclotron radius. At the energies of these localized states, the electron current flows around the monovacancies and, as we show, it can follow unexpected paths depending on the particular arrangement of vacancies. We study how these localized states change with the vacancy concentration, and what are the effects of including the next-nearest-neighbor hopping term. Our results are also compared with the situation when double vacancies are present in the system. Double vacancies also induce localized states, but their energy and magnetic field dependencies are different. Their localization energy scales linearly with the magnetic field, and their localization length appears not to depend on the field strength. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000389574200005 |
Publication Date |
2016-12-14 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2469-9950;2469-9969; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.836 |
Times cited |
14 |
Open Access |
|
| Notes |
; This work was supported by the Methusalem program of the Flemish government. ; |
Approved |
Most recent IF: 3.836 |
| Call Number |
UA @ lucian @ c:irua:140237 |
Serial |
4459 |
| Permanent link to this record |
| |
|
| |
| Author |
Moors, K.; Sorée, B.; Magnus, W. |
| Title |
Resistivity scaling in metallic thin films and nanowires due to grain boundary and surface roughness scattering |
Type |
A1 Journal article |
| Year |
2017 |
Publication |
Microelectronic engineering |
Abbreviated Journal |
Microelectron Eng |
| Volume |
167 |
Issue |
167 |
Pages |
37-41 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
| Abstract |
A modeling approach, based on an analytical solution of the semiclassical multi-subband Boltzmann transport equation, is presented to study resistivity scaling in metallic thin films and nanowires due to grain boundary and surface roughness scattering. While taking into account the detailed statistical properties of grains, roughness and barrier material as well as the metallic band structure and quantum mechanical aspects of scattering and confinement, the model does not rely on phenomenological fitting parameters. (C) 2016 Elsevier B.V. All rights reserved. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
| Language |
|
Wos |
000390746000008 |
Publication Date |
2016-10-20 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0167-9317 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.806 |
Times cited |
6 |
Open Access |
|
| Notes |
; ; |
Approved |
Most recent IF: 1.806 |
| Call Number |
UA @ lucian @ c:irua:140354 |
Serial |
4460 |
| Permanent link to this record |
| |
|
| |
| Author |
Cariglia, M.; Vargas-Paredes, A.; Doria, M.M.; Bianconi, A.; Milošević, M.V.; Perali, A. |
| Title |
Shape-Resonant Superconductivity in Nanofilms: from Weak to Strong Coupling |
Type |
A1 Journal article |
| Year |
2016 |
Publication |
Journal of superconductivity and novel magnetism |
Abbreviated Journal |
J Supercond Nov Magn |
| Volume |
29 |
Issue |
29 |
Pages |
3081-3086 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
Ultrathin superconductors of different materials are becoming a powerful platform to find mechanisms for enhancement of superconductivity, exploiting shape resonances in different superconducting properties. Here, we evaluate the superconducting gap and its spatial profile, the multiple gap components, and the chemical potential, of generic superconducting nanofilms, considering the pairing attraction and its energy scale as tunable parameters, from weak to strong coupling, at fixed electron density. Superconducting properties are evaluated at mean field level as a function of the thickness of the nanofilm, in order to characterize the shape resonances in the superconducting gap. We find that the most pronounced shape resonances are generated for weakly coupled superconductors, while approaching the strong coupling regime the shape resonances are rounded by a mixing of the subbands due to the large energy gaps extending over large energy scales. Finally, we find that the spatial profile, transverse to the nanofilm, of the superconducting gap acquires a flat behavior in the shape resonance region, indicating that a robust and uniform multigap superconducting state can arise at resonance. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
New York, N.Y. |
Editor |
|
| Language |
|
Wos |
000390030600016 |
Publication Date |
2016-08-17 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1557-1939 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.18 |
Times cited |
11 |
Open Access |
|
| Notes |
; We acknowledge D. Valentinis, D. Van der Marel, and C. Berthod for useful discussions. A. Ricci is also acknowledged for his comments on the experimental detection of the predictions of this paper. A. Bianconi acknowledges financial support from Superstripes non-profit organization. M. Cariglia acknowledges CNPq support from project (205029 / 2014-0) and FAPEMIG support from project APQ-02164-14. M.M. Doria acknowledges CNPq support from funding (23079.014992 / 2015-39). M.V. Milosevic acknowledges support from Research Foundation – Flanders (FWO). A. Perali acknowledges financial support from the University of Camerino under the project FAR “Control and enhancement of superconductivity by engineering materials at the nanoscale”. All authors acknowledge the collaboration within the MultiSuper Network (http://www.multisuper.org) for exchange of ideas and suggestions. ; |
Approved |
Most recent IF: 1.18 |
| Call Number |
UA @ lucian @ c:irua:140347 |
Serial |
4461 |
| Permanent link to this record |
| |
|
| |
| Author |
Michel, K.H.; Neek-Amal, M.; Peeters, F.M. |
| Title |
Static flexural modes and piezoelectricity in 2D and layered crystals |
Type |
A1 Journal article |
| Year |
2016 |
Publication |
Physica status solidi: B: basic research |
Abbreviated Journal |
Phys Status Solidi B |
| Volume |
253 |
Issue |
253 |
Pages |
2311-2315 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
Piezo- and flexoelectricity are manifestations of electromechanical coupling in solids with potential applications in nanoscale materials. Naumov etal. [Phys. Rev. Lett. 102, 217601 (2009)] have shown by first principles calculations that a monolayer BN sheet becomes macroscopically polarized in-plane when in a corrugated state. Here, we investigate the interplay of layer corrugation and in-plane polarization by atomistic lattice dynamics. We treat the coupling between static flexural modes and in-plane atomic ion displacements as an anharmonic effect, similar to the membrane effect that is at the origin of negative thermal expansion in layered crystals. We have derived analytical expressions for the corrugation-induced static in-plane strains and the optical displacements with the resulting polarization response functions. Beyond h-BN, the theory applies to transition metal dichalcogenides and dioxides. Numerical calculations show that the effects are considerably stronger for 2D h-BN than for 2H-MoS2. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Berlin |
Editor |
|
| Language |
|
Wos |
000390339000002 |
Publication Date |
2016-10-21 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0370-1972 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.674 |
Times cited |
5 |
Open Access |
|
| Notes |
; The authors acknowledge useful discussions with L. Wirtz, A. Molina-Sanchez, and C. Sevik. This work was supported by the ESF-Eurographene project CONGRAN, and the Flemish Science Foundation (FWO-Vl). ; |
Approved |
Most recent IF: 1.674 |
| Call Number |
UA @ lucian @ c:irua:140309 |
Serial |
4462 |
| Permanent link to this record |
| |
|
| |
| Author |
Milovanović, S.P.; Peeters, F.M. |
| Title |
Strain controlled valley filtering in multi-terminal graphene structures |
Type |
A1 Journal article |
| Year |
2016 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
| Volume |
109 |
Issue |
109 |
Pages |
203108 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
Valley-polarized currents can be generated by local straining of multi-terminal graphene devices. The pseudo-magnetic field created by the deformation allows electrons from only one valley to transmit, and a current of electrons from a single valley is generated at the opposite side of the locally strained region. We show that valley filtering is most effective with bumps of a certain height and width. Despite the fact that the highest contribution to the polarized current comes from electrons from the lowest sub-band, contributions of other sub-bands are not negligible and can significantly enhance the output current. Published by AIP Publishing. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
| Language |
|
Wos |
000388000000049 |
Publication Date |
2016-11-16 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0003-6951; 1077-3118 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.411 |
Times cited |
50 |
Open Access |
|
| Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and the European Science Foundation (ESF) under the EUROCORES Program EuroGRAPHENE within the project CONGRAN. ; |
Approved |
Most recent IF: 3.411 |
| Call Number |
UA @ lucian @ c:irua:139165 |
Serial |
4463 |
| Permanent link to this record |
| |
|
| |
| Author |
Milovanovic, S.P.; Peeters, F.M. |
| Title |
Strained graphene Hall bar |
Type |
A1 Journal article |
| Year |
2017 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
J Phys-Condens Mat |
| Volume |
29 |
Issue |
29 |
Pages |
075601 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
The effects of strain, induced by a Gaussian bump, on the magnetic field dependent transport properties of a graphene Hall bar are investigated. The numerical simulations are performed using both classical and quantum mechanical transport theory and we found that both approaches exhibit similar characteristic features. The effects of the Gaussian bump are manifested by a decrease of the bend resistance, RB, around zero-magnetic field and the occurrence of side-peaks in RB. These features are explained as a consequence of bump-assisted scattering of electrons towards different terminals of the Hall bar. Using these features we are able to give an estimate of the size of the bump. Additional oscillations in RB are found in the quantum description that are due to the population/depopulation of Landau levels. The bump has a minor influence on the Hall resistance even for very high values of the pseudo-magnetic field. When the bump is placed outside the center of the Hall bar valley polarized electrons can be collected in the leads. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
London |
Editor |
|
| Language |
|
Wos |
000391584900001 |
Publication Date |
2016-12-24 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0953-8984 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.649 |
Times cited |
12 |
Open Access |
|
| Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and the European Science Foundation (ESF) under the EUROCORES Program EuroGRAPHENE within the project CONGRAN. ; |
Approved |
Most recent IF: 2.649 |
| Call Number |
UA @ lucian @ c:irua:140381 |
Serial |
4464 |
| Permanent link to this record |
| |
|
| |
| Author |
Li, L.L.; Moldovan, D.; Vasilopoulos, P.; Peeters, F.M. |
| Title |
Aharonov-Bohm oscillations in phosphorene quantum rings |
Type |
A1 Journal article |
| Year |
2017 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
| Volume |
95 |
Issue |
20 |
Pages |
205426 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
The Aharonov-Bohm (AB) effect in square phosphorene quantum rings, with armchair and zigzag edges, is investigated using the tight-binding method. The energy spectra and wave functions of such rings, obtained as a function of the magnetic flux Phi threading the ring, are strongly influenced by the ringwidthW, an in-plane electric field E-p, and a side-gating potential V-g. Compared to a square dot, the ring shows an enhanced confinement due to its inner edges and an interedge coupling along the zigzag direction, both of which strongly affect the energy spectrum and the wave functions. The energy spectrum that is gapped consists of a regular part, of conduction (valence) band states, that shows the usual AB oscillations in the higher-(lower-) energy region, and of edge states, in the gap, that exhibit no AB oscillations. As the width W decreases, the AB oscillations become more distinct and regular and their period is close to Phi(0)/2, where the flux quantum Phi(0) = h/e is the period of an ideal circular ring (W -> 0). Both the electric field E-p and the side-gating potential V-g reduce the amplitude of the AB oscillations. The amplitude can be effectively tuned by E-p or V-g and exhibits an anisotropic behavior for different field directions or side-gating configurations. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
American Physical Society |
Place of Publication |
New York, N.Y |
Editor |
|
| Language |
|
Wos |
000402003700010 |
Publication Date |
2017-05-23 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2469-9969; 2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.836 |
Times cited |
16 |
Open Access |
|
| Notes |
; This work was financially supported by the Chinese Academy of Sciences, the Flemish Science Foundation (FWO-V1), and by the Canadian NSERC Grant No. OGP0121756 (P.V.). ; |
Approved |
Most recent IF: 3.836 |
| Call Number |
UA @ lucian @ c:irua:144267 |
Serial |
4638 |
| Permanent link to this record |
| |
|
| |
| Author |
Li, L.L.; Zarenia, M.; Xu, W.; Dong, H.M.; Peeters, F.M. |
| Title |
Exciton states in a circular graphene quantum dot: Magnetic field induced intravalley to intervalley transition |
Type |
A1 Journal article |
| Year |
2017 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
| Volume |
95 |
Issue |
95 |
Pages |
045409 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
The magnetic-field dependence of the energy spectrum, wave function, binding energy, and oscillator strength of exciton states confined in a circular graphene quantum dot (CGQD) is obtained within the configuration interaction method. We predict that (i) excitonic effects are very significant in the CGQD as a consequence of a combination of geometric confinement, magnetic confinement, and reduced screening; (ii) two types of excitons (intravalley and intervalley) are present in the CGQD because of the valley degree of freedom in graphene; (iii) the intravalley and intervalley exciton states display different magnetic-field dependencies due to the different electron-hole symmetries of the single-particle energy spectra; (iv) with increasing magnetic field, the exciton ground state in the CGQD undergoes an intravalley to intervalley transition accompanied by a change of angular momentum; (v) the exciton binding energy does not increase monotonically with the magnetic field due to the competition between geometric and magnetic confinements; and (vi) the optical transitions of the intervalley and intravalley excitons can be tuned by the magnetic field, and valley-dependent excitonic transitions can be realized in a CGQD. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000391856000006 |
Publication Date |
2017-01-12 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2469-9950;2469-9969; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.836 |
Times cited |
14 |
Open Access |
|
| Notes |
; This work was financially supported by the China Scholarship Council (CSC), the Flemish Science Foundation (FWO-Vl), the National Natural Science Foundation of China (Grants No. 11304316, No. 11574319, and No. 11604380), and by the Chinese Academy of Sciences (CAS). ; |
Approved |
Most recent IF: 3.836 |
| Call Number |
UA @ lucian @ c:irua:141444 |
Serial |
4555 |
| Permanent link to this record |
| |
|
| |
| Author |
Berdiyorov, G.R.; Neek-Amal, M.; Hussein, I.A.; Madjet, M.E.; Peeters, F.M. |
| Title |
Large CO2 uptake on a monolayer of CaO |
Type |
A1 Journal article |
| Year |
2017 |
Publication |
Journal of materials chemistry A : materials for energy and sustainability |
Abbreviated Journal |
J Mater Chem A |
| Volume |
5 |
Issue |
5 |
Pages |
2110-2114 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
| Abstract |
Density functional theory calculations are used to study gas adsorption properties of a recently synthesized CaO monolayer, which is found to be thermodynamically stable in its buckled form. Due to its topology and strong interaction with the CO2 molecules, this material possesses a remarkably high CO2 uptake capacity (similar to 0.4 g CO2 per g adsorbent). The CaO + CO2 system shows excellent thermal stability (up to 1000 K). Moreover, the material is highly selective towards CO2 against other major greenhouse gases such as CH4 and N2O. These advantages make this material a very promising candidate for CO2 capture and storage applications. |
| Address |
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| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Cambridge |
Editor |
|
| Language |
|
Wos |
000395074300035 |
Publication Date |
2016-12-19 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2050-7488; 2050-7496 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
8.867 |
Times cited |
2 |
Open Access |
|
| Notes |
; ; |
Approved |
Most recent IF: 8.867 |
| Call Number |
UA @ lucian @ c:irua:142034 |
Serial |
4556 |
| Permanent link to this record |
| |
|
| |
| Author |
Heshmati-Moulai, A.; Simchi, H.; Esmaeilzadeh, M.; Peeters, F.M. |
| Title |
Phase transition and spin-resolved transport in MoS2 nanoribbons |
Type |
A1 Journal article |
| Year |
2016 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
| Volume |
94 |
Issue |
94 |
Pages |
235424 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
The electronic structure and transport properties of monolayer MoS2 are studied using a tight-binding approach coupled with the nonequilibrium Green's function method. A zigzag nanoribbon of MoS2 is conducting due to the intersection of the edge states with the Fermi level that is located within the bulk gap. We show that applying a transverse electric field results in the disappearance of this intersection and turns the material into a semiconductor. By increasing the electric field the band gap undergoes a two stage linear increase after which it decreases and ultimately closes. It is shown that in the presence of a uniform exchange field, this electric field tuning of the gap can be exploited to open low energy domains where only one of the spin states contributes to the electronic conductance. This introduces possibilities in designing spin filters for spintronic applications. |
| Address |
|
| Corporate Author |
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Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000394546100005 |
Publication Date |
2016-12-20 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2469-9950;2469-9969; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.836 |
Times cited |
7 |
Open Access |
|
| Notes |
; ; |
Approved |
Most recent IF: 3.836 |
| Call Number |
UA @ lucian @ c:irua:141978 |
Serial |
4557 |
| Permanent link to this record |
| |
|
| |
| Author |
Satarifard, V.; Mousaei, M.; Hadadi, F.; Dix, J.; Sobrino Fernández, M.; Carbone, P.; Beheshtian, J.; Peeters, F.M.; Neek-Amal, M. |
| Title |
Reversible structural transition in nanoconfined ice |
Type |
A1 Journal article |
| Year |
2017 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
| Volume |
95 |
Issue |
95 |
Pages |
064105 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
The report on square ice sandwiched between two graphene layers by Algara-Siller et al. [Nature (London) 519, 443 (2015)] has generated a large interest in this system. By applying high lateral pressure on nanoconfined water, we found that monolayer ice is transformed to bilayer ice when the two graphene layers are separated by H = 6,7 angstrom. It was also found that three layers of a denser phase of ice with smaller lattice constant are formed if we start from bilayer ice and apply a lateral pressure of about 0.7 GPa with H = 8,9 angstrom. The lattice constant (2.5-2.6 angstrom) in both transitions is found to be smaller than those typical for the known phases of ice and water, i.e., 2.8 angstrom. We validate these results using ab initio calculations and find good agreement between ab initio O-O distance and those obtained from classical molecular dynamics simulations. The reversibility of the mentioned transitions is confirmed by decompressing the systems. |
| Address |
|
| Corporate Author |
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Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000393943300005 |
Publication Date |
2017-02-16 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2469-9950;2469-9969; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.836 |
Times cited |
23 |
Open Access |
|
| Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem Foundation. ; |
Approved |
Most recent IF: 3.836 |
| Call Number |
UA @ lucian @ c:irua:141994 |
Serial |
4558 |
| Permanent link to this record |
| |
|
| |
| Author |
Peelaers, H.; Durgun, E.; Partoens, B.; Bilc, D.I.; Ghosez, P.; Van de Walle, C.G.; Peeters, F.M. |
| Title |
Ab initio study of hydrogenic effective mass impurities in Si nanowires |
Type |
A1 Journal article |
| Year |
2017 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
J Phys-Condens Mat |
| Volume |
29 |
Issue |
29 |
Pages |
095303 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
The effect of B and P dopants on the band structure of Si nanowires is studied using electronic structure calculations based on density functional theory. At low concentrations a dispersionless band is formed, clearly distinguishable from the valence and conduction bands. Although this band is evidently induced by the dopant impurity, it turns out to have purely Si character. These results can be rigorously analyzed in the framework of effective mass theory. In the process we resolve some common misconceptions about the physics of hydrogenic shallow impurities, which can be more clearly elucidated in the case of nanowires than would be possible for bulk Si. We also show the importance of correctly describing the effect of dielectric confinement, which is not included in traditional electronic structure calculations, by comparing the obtained results with those of G(0)W(0) calculations. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
London |
Editor |
|
| Language |
|
Wos |
000395103900002 |
Publication Date |
2017-01-06 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0953-8984 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.649 |
Times cited |
1 |
Open Access |
|
| Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl), the NSF MRSEC Program under award No. DMR11-21053, and the Army Research Office (W911NF-13-1-0380). DIB acknowledges financial support from the grant of the Romanian National Authority for Scientific Research, CNCS UEFISCDI, project No. PN-II-RU-TE-2011-3-0085. Ph G acknowledges a research professorship of the Francqui foundation and financial support of the ARC project AIMED and FNRS project HiT4FiT. This research used resources of the Ceci HPC Center funded by F R S-FNRS (Grant No. 2.5020.1) and of the National Energy Research Scientific Computing Center, a DOE Office of Science User Facility supported by the Office of Science of the US Department of Energy under Contract No. DE-AC02-05CH11231. ; |
Approved |
Most recent IF: 2.649 |
| Call Number |
UA @ lucian @ c:irua:142447 |
Serial |
4584 |
| Permanent link to this record |
| |
|
| |
| Author |
Lawson, N.C.; Janyavula, S.; Çakir, D.; Burgess, J.O. |
| Title |
An analysis of the physiologic parameters of intraoral wear: a review |
Type |
A1 Journal article |
| Year |
2013 |
Publication |
Journal Of Physics D-Applied Physics |
Abbreviated Journal |
J Phys D Appl Phys |
| Volume |
46 |
Issue |
40 |
Pages |
Unsp 404007 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
This paper reviews the conditions of in vivo mastication and describes a novel method of measuring in vitro wear. Methods: parameters of intraoral wear are reviewed in this analysis, including chewing force, tooth sliding distance, food abrasivity, saliva lubrication, and antagonist properties. Results: clinical measurement of mastication forces indicates a range of normal forces between 20 and 140 N for a single molar. During the sliding phase of mastication, horizontal movement has been measured between 0.9 and 2.86 mm. In vivo wear occurs by three-body abrasion when food particles are interposed between teeth and by two-body abrasion after food clearance. Analysis of food particles used in wear testing reveals that food particles are softer than enamel and large enough to separate enamel and restoration surfaces and act as a solid lubricant. In two-body wear, saliva acts as a boundary lubricant with a viscosity of 3 cP. Enamel is the most relevant antagonist material for wear testing. The shape of a palatal cusp has been estimated as a 0.6 mm diameter ball and the hardest region of a tooth is its enamel surface. pH values and temperatures have been shown to range between 2-7 and 5-55 degrees C in intraoral fluids, respectively. These intraoral parameters have been used to modify the Alabama wear testing method. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
London |
Editor |
|
| Language |
|
Wos |
|
Publication Date |
2013-09-19 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0022-3727 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.588 |
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 2.588; 2013 IF: 2.521 |
| Call Number |
UA @ lucian @ c:irua:128322 |
Serial |
4585 |
| Permanent link to this record |
| |
|
| |
| Author |
Leenaerts, O.; Vercauteren, S.; Partoens, B. |
| Title |
Band alignment of lateral two-dimensional heterostructures with a transverse dipole |
Type |
A1 Journal article |
| Year |
2017 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
| Volume |
110 |
Issue |
110 |
Pages |
181602 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
It was recently shown that the electronic band alignment in lateral two-dimensional heterostructures is strongly dependent on the system geometry, such as heterostructure width and layer thickness. This is so even in the absence of polar edge terminations because of the appearance of an interface dipole between the two different materials. In this study, this work is expanded to include two-dimensional materials that possess an electronic dipole over their surface, i.e., in the direction transverse to the crystal plane. To this end, a heterostucture consisting of polar hydrofluorinated graphene and non-polar graphane layers is studied with first-principles calculations. As for nonpolar heterostructures, a significant geometry dependence is observed with two different limits for the band offset. For infinitely wide heterostructures, the potential step in the vacuum is equally divided over the two sides of the heterostructure, resulting in a finite potential step in the heterostructure. For infinitely thick heterostructure slabs, on the other hand, the band offset is reduced, similar to the three-dimensional case. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
| Language |
|
Wos |
000400931900014 |
Publication Date |
2017-05-01 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0003-6951; 1077-3118 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.411 |
Times cited |
4 |
Open Access |
|
| Notes |
; This work was supported by the Fonds Wetenschappelijk Onderzoek (FWO-VI). The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Hercules Foundation and the Flemish Government-department EWI. ; |
Approved |
Most recent IF: 3.411 |
| Call Number |
UA @ lucian @ c:irua:143755 |
Serial |
4586 |
| Permanent link to this record |
| |
|
| |
| Author |
Verhulst, A.S.; Verreck, D.; Pourghaderi, M.A.; Van de Put, M.; Sorée, B.; Groeseneken, G.; Collaert, N.; Thean, A.V.-Y. |
| Title |
Can p-channel tunnel field-effect transistors perform as good as n-channel? |
Type |
A1 Journal article |
| Year |
2014 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
| Volume |
105 |
Issue |
4 |
Pages |
043103 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
We show that bulk semiconductor materials do not allow perfectly complementary p- and n-channel tunnel field-effect transistors (TFETs), due to the presence of a heavy-hole band. When tunneling in p-TFETs is oriented towards the gate-dielectric, field-induced quantum confinement results in a highest-energy subband which is heavy-hole like. In direct-bandgap IIIV materials, the most promising TFET materials, phonon-assisted tunneling to this subband degrades the subthreshold swing and leads to at least 10x smaller on-current than the desired ballistic on-current. This is demonstrated with quantum-mechanical predictions for p-TFETs with tunneling orthogonal to the gate, made out of InP, In0.53Ga0.47As, InAs, and a modified version of In0.53Ga0.47As with an artificially increased conduction-band density-of-states. We further show that even if the phonon-assisted current would be negligible, the build-up of a heavy-hole-based inversion layer prevents efficient ballistic tunneling, especially at low supply voltages. For p-TFET, a strongly confined n-i-p or n-p-i-p configuration is therefore recommended, as well as a tensily strained line-tunneling configuration. (C) 2014 AIP Publishing LLC. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
| Language |
|
Wos |
000341152600067 |
Publication Date |
2014-07-30 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0003-6951; 1077-3118 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
3.411 |
Times cited |
8 |
Open Access |
|
| Notes |
; This work was supported by imec's industrial application program. D. Verreck acknowledges the support of a Ph.D. stipend from the Institute for Promotion of Innovation through Science and Technology in Flanders (IWT). ; |
Approved |
Most recent IF: 3.411; 2014 IF: 3.302 |
| Call Number |
UA @ lucian @ c:irua:134433 |
Serial |
4587 |
| Permanent link to this record |
| |
|
| |
| Author |
Li, L.; Kong, X.; Leenaerts, O.; Chen, X.; Sanyal, B.; Peeters, F.M. |
| Title |
Carbon-rich carbon nitride monolayers with Dirac cones : Dumbbell C4N |
Type |
A1 Journal article |
| Year |
2017 |
Publication |
Carbon |
Abbreviated Journal |
Carbon |
| Volume |
118 |
Issue |
118 |
Pages |
285-290 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
Two-dimensional (2D) carbon nitride materials play an important role in energy-harvesting, energy-storage and environmental applications. Recently, a new carbon nitride, 2D polyaniline (C3N) was proposed [PNAS 113 (2016) 7414-7419]. Based on the structure model of this C3N monolayer, we propose two new carbon nitride monolayers, named dumbbell (DB) C4N-I and C4N-II. Using first-principles calculations, we systematically study the structure, stability, and band structure of these two materials. In contrast to other carbon nitride monolayers, the orbital hybridization of the C/N atoms in the DB C4N monolayers is sp(3). Remarkably, the band structures of the two DB C4N monolayers have a Dirac cone at the K point and their Fermi velocities (2.6/2.4 x 10(5) m/s) are comparable to that of graphene. This makes them promising materials for applications in high-speed electronic devices. Using a tight-binding model, we explain the origin of the Dirac cone. (C) 2017 Elsevier Ltd. All rights reserved. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Oxford |
Editor |
|
| Language |
|
Wos |
000401120800033 |
Publication Date |
2017-03-16 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0008-6223 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
6.337 |
Times cited |
36 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 6.337 |
| Call Number |
UA @ lucian @ c:irua:143726 |
Serial |
4588 |
| Permanent link to this record |
| |
|
| |
| Author |
Celebi, S.; Sezgin, M.E.; Çakir, D.; Baytan, B.; Demirkaya, M.; Sevinir, B.; Bozdemir, S.E.; Gunes, A.M.; Hacimustafaoglu, M. |
| Title |
Catheter-associated bloodstream infections in pediatric hematology-oncology patients |
Type |
A1 Journal article |
| Year |
2013 |
Publication |
Pediatric Hematology And Oncology |
Abbreviated Journal |
Pediatr Hemat Oncol |
| Volume |
30 |
Issue |
3 |
Pages |
187-194 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
Catheter-associated bloodstream infections (CABSIs) are common complications encountered with cancer treatment. The aims of this study were to analyze the factors associated with recurrent infection and catheter removal in pediatric hematology-oncology patients. All cases of CABSIs in patients attending the Department of Pediatric Hematology-Oncology between January 2008 and December 2010 were reviewed. A total of 44 episodes of CABSIs, including multiple episodes involving the same catheter, were identified in 31 children with cancer. The overall CABSIs rate was 7.4 infections per 1000 central venous catheter (CVC) days. The most frequent organism isolated was coagulase-negative Staphylococcus (CONS). The CVC was removed in nine (20.4%) episodes. We found that hypotension, persistent bacteremia, Candida infection, exit-side infection, neutropenia, and prolonged duration of neutropenia were the factors for catheter removal. There were 23 (52.2%) episodes of recurrence or reinfection. Mortality rate was found to be 9.6% in children with CABSIs. In this study, we found that CABSIs rate was 7.4 infections per 1000 catheter-days. CABSIs rates in our hematology-oncology patients are comparable to prior reports. Because CONS is the most common isolated microorganism in CABSIs, vancomycin can be considered part of the initial empirical regimen. |
| Address |
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| Corporate Author |
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Thesis |
|
| Publisher |
|
Place of Publication |
New York |
Editor |
|
| Language |
|
Wos |
|
Publication Date |
2013-04-25 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0888-0018 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.12 |
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 1.12; 2013 IF: 0.963 |
| Call Number |
UA @ lucian @ c:irua:128324 |
Serial |
4589 |
| Permanent link to this record |
| |
|
| |
| Author |
Petrovic, M. |
| Title |
Characterization of scanning gate technique and transport in nanostructured graphene |
Type |
Doctoral thesis |
| Year |
2017 |
Publication |
|
Abbreviated Journal |
|
| Volume |
|
Issue |
|
Pages |
|
| Keywords |
Doctoral thesis; Condensed Matter Theory (CMT) |
| Abstract |
|
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Antwerpen |
Editor |
|
| Language |
|
Wos |
|
Publication Date |
|
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
|
ISBN |
|
Additional Links |
UA library record |
| Impact Factor |
|
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: NA |
| Call Number |
UA @ lucian @ c:irua:144015 |
Serial |
4590 |
| Permanent link to this record |
| |
|
| |
| Author |
Becker, T.; Nelissen, K.; Cleuren, B.; Partoens, B.; Van den Broeck, C. |
| Title |
Comment on “Generalized exclusion processes : transport coefficients” |
Type |
A1 Journal article |
| Year |
2016 |
Publication |
Physical review E |
Abbreviated Journal |
Phys Rev E |
| Volume |
93 |
Issue |
93 |
Pages |
046101 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
In a recent paper, Arita et al. [Phys. Rev. E 90, 052108 (2014)] consider the transport properties of a class of generalized exclusion processes. Analytical expressions for the transport-diffusion coefficient are derived by ignoring correlations. It is claimed that these expressions become exact in the hydrodynamic limit. In this Comment,we point out that (i) the influence of correlations upon the diffusion does not vanish in the hydrodynamic limit, and (ii) the expressions for the self- and transport diffusion derived by Arita et al. are special cases of results derived in Becker et al. [Phys. Rev. Lett. 111, 110601 (2013)]. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000374962100019 |
Publication Date |
2016-04-25 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2470-0045;2470-0053; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
2.366 |
Times cited |
3 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 2.366 |
| Call Number |
UA @ lucian @ c:irua:141060 |
Serial |
4591 |
| Permanent link to this record |
| |
|
| |
| Author |
Fernández Becerra, V.; Milošević, M.V. |
| Title |
Dynamics of skyrmions and edge states in the resistive regime of mesoscopic p-wave superconductors |
Type |
A1 Journal article |
| Year |
2017 |
Publication |
Physica: C : superconductivity |
Abbreviated Journal |
Physica C |
| Volume |
533 |
Issue |
533 |
Pages |
91-95 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
In a mesoscopic sample of a chiral p-wave superconductor, novel states comprising skyrmions and edge states have been stabilized in out-of-plane applied magnetic field. Using the time-dependent Ginzburg-Landau equations we shed light on the dynamic response of such states to an external applied current. Three different regimes are obtained, namely, the superconducting (stationary), resistive (non-stationary) and normal regime, similarly to conventional s-wave superconductors. However, in the resistive regime and depending on the external current, we found that moving skyrmions and the edge state behave distinctly different from the conventional kinematic vortex, thereby providing new fingerprints for identification of p-wave superconductivity. (C) 2016 Elsevier B.V. All rights reserved. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
| Language |
|
Wos |
000395954100014 |
Publication Date |
2016-07-07 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0921-4534 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
1.404 |
Times cited |
3 |
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 1.404 |
| Call Number |
UA @ lucian @ c:irua:142534 |
Serial |
4592 |
| Permanent link to this record |
