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Author Vodolazov, D.Y.; Peeters, F.M.; Dubonos, S.V.; Geim, A.K.
Title Multiple flux jumps and irreversible behavior of thin Al superconducting rings Type A1 Journal article
Year 2003 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 67 Issue 5 Pages 054506-6
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract An experimental and theoretical investigation was made of flux jumps and irreversible magnetization curves of mesoscopic Al superconducting rings. In the small magnetic-field region the change of vorticity with magnetic field can be larger than unity. This behavior is connected with the existence of several metastable states of different vorticities. The intentional introduction of a defect in the ring has a large effect on the size of the flux jumps. Calculations based on the time-dependent Ginzburg-Landau model allows us to explain the experimental results semiquantitatively.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000181360300061 Publication Date 2003-02-22
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0163-1829;1095-3795; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited (up) 49 Open Access
Notes Approved Most recent IF: 3.836; 2003 IF: NA
Call Number UA @ lucian @ c:irua:102812 Serial 2227
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Author Van Duppen, B.; Vasilopoulos, P.; Peeters, F.M.
Title Spin and valley polarization of plasmons in silicene due to external fields Type A1 Journal article
Year 2014 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 90 Issue 3 Pages 035142
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The electronic properties of the two-dimensional material silicene are strongly influenced by the application of a perpendicular electric field E-z and of an exchange field M due to adatoms positioned on the surface or a ferromagnetic substrate. Within the random phase approximation, we investigate how electron-electron interactions are affected by these fields and present analytical and numerical results for the dispersion of plasmons, their lifetime, and their oscillator strength. We find that the combination of the fields E-z and M brings a spin and valley texture to the particle-hole excitation spectrum and allows the formation of spin-and valley-polarized plasmons. When the Fermi level lies in the gap of one spin in one valley, the intraband region of the corresponding spectrum disappears. For zero E-z and finite M the spin symmetry is broken and spin polarization is possible. The lifetime and oscillator strength of the plasmons are shown to depend strongly on the number of spin and valley type electrons that form the electron-hole pairs.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000339974700001 Publication Date 2014-07-30
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited (up) 49 Open Access
Notes ; This work was supported by the European Science Foundation (ESF) under the EUROCORES Program Euro-GRAPHENE within the project CONGRAN, the Flemish Science Foundation (FWO-Vl) by an aspirant grant to B.V.D., the Methusalem Foundation of the Flemish Government, and by the Canadian NSERC Grant No. OGP0121756. ; Approved Most recent IF: 3.836; 2014 IF: 3.736
Call Number UA @ lucian @ c:irua:118776 Serial 3080
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Author Papp, G.; Peeters, F.M.
Title Tunable giant magnetoresistance with magnetic barriers Type A1 Journal article
Year 2006 Publication Journal of applied physics Abbreviated Journal J Appl Phys
Volume 100 Issue 4 Pages 043707,1-4
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000240236800056 Publication Date 2006-09-11
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-8979; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.068 Times cited (up) 49 Open Access
Notes Approved Most recent IF: 2.068; 2006 IF: 2.316
Call Number UA @ lucian @ c:irua:60812 Serial 3742
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Author Missault, N.; Vasilopoulos, P.; Peeters, F.M.; Van Duppen, B.
Title Spin- and valley-dependent miniband structure and transport in silicene superlattices Type A1 Journal article
Year 2016 Publication Physical review B Abbreviated Journal Phys Rev B
Volume 93 Issue 93 Pages 125425
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We investigate silicene superlattices in the presence of a tunable barrier potential U, an exchange field M, and a perpendicular electric field E-z. The resulting miniband structure depends on the spin and valley indices and on the fields M and E-z. These fields determine the minigaps and also affect the additional Dirac points brought about by the periodic potential U. In addition, we consider diffusive transport and assess its dependence on the spin and valley indices as well as on temperature. The corresponding spin and valley polarizations strongly depend on the potential U and can be made almost 100% at very low temperatures at particular values of the Fermi energy.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000372715800009 Publication Date 2016-03-21
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 (up) 49 Open Access
Notes ; This work was supported by the Canadian NSERC Grant No. OGP0121756 (P.V.), and by the Flemish Science Foundation FWO-Vl) with the “Odysseus” Program (N. M.) and with a PhD research grant (B.V.D.). ; Approved Most recent IF: 3.836
Call Number UA @ lucian @ c:irua:133194 Serial 4246
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Author Zarenia, M.; Pereira, J.M.; Farias, G.A.; Peeters, F.M.
Title Chiral states in bilayer graphene : magnetic field dependence and gap opening Type A1 Journal article
Year 2011 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 84 Issue 12 Pages 125451-125451,13
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract At the interface of electrostatic potential kink profiles, one-dimensional chiral states are found in bilayer graphene (BLG). Such structures can be created by applying an asymmetric potential to the upper and the lower layers of BLG. We found the following: (i) due to the strong confinement by the single kink profile, the unidirectional states are only weakly affected by a magnetic field; (ii) increasing the smoothness of the kink potential results in additional bound states, which are topologically different from those chiral states; and (iii) in the presence of a kink-antikink potential, the overlap between the oppositely moving chiral states results in the appearance of crossing and anticrossing points in the energy spectrum. This leads to the opening of tunable minigaps in the spectrum of the unidirectional topological states.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000295484300016 Publication Date 2011-09-30
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited (up) 50 Open Access
Notes ; This work was supported by the Flemish Science Foundation (FWO-VI), the Belgian Science Policy (IAP), the European Science Foundation (ESF) under the EUROCORES program EuroGRAPHENE (project CONGRAN), the Brazilian agency CNPq (Pronex), and the bilateral projects between Flanders and Brazil and the collaboration project FWO-CNPq. ; Approved Most recent IF: 3.836; 2011 IF: 3.691
Call Number UA @ lucian @ c:irua:92915 Serial 358
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Author Moldovan, D.; Masir, M.R.; Peeters, F.M.
Title Electronic states in a graphene flake strained by a Gaussian bump Type A1 Journal article
Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 88 Issue 3 Pages 035446-35447
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The effect of strain in graphene is usually modeled by a pseudomagnetic vector potential which is, however, derived in the limit of small strain. In realistic cases deviations are expected in view of graphene's very high strain tolerance, which can be up to 25%. Here we investigate the pseudomagnetic field generated by a Gaussian bump and we show that it exhibits significant differences with numerical tight-binding results. Furthermore, we calculate the electronic states in the strained region for a hexagon shaped flake with armchair edges. We find that the sixfold symmetry of the wave functions inside the Gaussian bump is directly related to the different effects of strain along the fundamental directions of graphene: zigzag and armchair. Low energy electrons are strongly confined in the armchair directions and are localized on the carbon atoms of a single sublattice.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000322587500003 Publication Date 2013-07-30
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited (up) 50 Open Access
Notes ; This work was supported by the European Science Foundation (ESF) under the EUROCORES Program Euro-GRAPHENE within the project CONGRAN, the Flemish Science Foundation (FWO-Vl), and the Methusalem Funding of the Flemish Government. ; Approved Most recent IF: 3.836; 2013 IF: 3.664
Call Number UA @ lucian @ c:irua:109800 Serial 1007
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Author Sidor, Y.; Partoens, B.; Peeters, F.M.; Schildermans, N.; Hayne, M.; Moshchalkov, V.V.; Rastelli, A.; Schmidt, O.G.
Title High-field magnetoexcitons in unstrained GaAs/AlxGa1-xAs quantum dots Type A1 Journal article
Year 2006 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 73 Issue 15 Pages 155334,1-8
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000237155100084 Publication Date 2006-04-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited (up) 50 Open Access
Notes Approved Most recent IF: 3.836; 2006 IF: 3.107
Call Number UA @ lucian @ c:irua:58275 Serial 1429
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Author Szafran, B.; Peeters, F.M.; Bednarek, S.; Chwiej, T.; Adamowski, J.
Title Spatial ordering of charge and spin in quasi-one-dimensional Wigner molecules Type A1 Journal article
Year 2004 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 70 Issue Pages 035401,1-9
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000222996700089 Publication Date 2004-07-02
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited (up) 50 Open Access
Notes Approved Most recent IF: 3.836; 2004 IF: 3.075
Call Number UA @ lucian @ c:irua:69390 Serial 3063
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 (up) 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
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Author Wu, K.; Torun, E.; Sahin, H.; Chen, B.; Fan, X.; Pant, A.; Wright, D.P.; Aoki, T.; Peeters, F.M.; Soignard, E.; Tongay, S.
Title Unusual lattice vibration characteristics in whiskers of the pseudo-one-dimensional titanium trisulfide TiS3 Type A1 Journal article
Year 2016 Publication Nature communications Abbreviated Journal Nat Commun
Volume 7 Issue Pages 12952
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract Transition metal trichalcogenides form a class of layered materials with strong in-plane anisotropy. For example, titanium trisulfide (TiS3) whiskers are made out of weakly interacting TiS3 layers, where each layer is made of weakly interacting quasi-one-dimensional chains extending along the b axis. Here we establish the unusual vibrational properties of TiS3 both experimentally and theoretically. Unlike other two-dimensional systems, the Raman active peaks of TiS3 have only out-of-plane vibrational modes, and interestingly some of these vibrations involve unique rigid-chain vibrations and S-S molecular oscillations. High-pressure Raman studies further reveal that the A(g)(S-S) S-S molecular mode has an unconventional negative pressure dependence, whereas other peaks stiffen as anticipated. Various vibrational modes are doubly degenerate at ambient pressure, but the degeneracy is lifted at high pressures. These results establish the unusual vibrational properties of TiS3 with strong in-plane anisotropy, and may have relevance to understanding of vibrational properties in other anisotropic two-dimensional material systems.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000385444300004 Publication Date 2016-09-22
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2041-1723 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 12.124 Times cited (up) 50 Open Access
Notes ; S.T. acknowledges support from the National Science Foundation (DMR-1552220) and (CMMI-1561839). F.M.P., H.S. and E.T. were supported by the Flemish Science Foundation (FWO-Vl). Computational resources were partially 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 programme. F.P. acknowledges the funding from Flemish Science Foundation (FWO-Vl). K.W. acknowledges helpful discussions with H. Cai, W. Kong and X. Meng. We gratefully acknowledge the use of facilities within the LeRoy Eyring Center for Solid State Science at Arizona State University. ; Approved Most recent IF: 12.124
Call Number UA @ lucian @ c:irua:144662 Serial 4700
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Author Van der Donck, M.; Zarenia, M.; Peeters, F.M.
Title Excitons and trions in monolayer transition metal dichalcogenides : a comparative study between the multiband model and the quadratic single-band model Type A1 Journal article
Year 2017 Publication Physical review B Abbreviated Journal Phys Rev B
Volume 96 Issue 3 Pages 035131
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The electronic and structural properties of excitons and trions in monolayer transition metal dichalcogenides are investigated using both a multiband and a single- band model. In the multiband model we construct the excitonic Hamiltonian in the product base of the single-particle states at the conduction and valence band edges. We decouple the corresponding energy eigenvalue equation and solve the resulting differential equation self-consistently, using the finite element method (FEM), to determine the energy eigenvalues and the wave functions. As a comparison, we also consider the simple single-band model which is often used in numerical studies. We solve the energy eigenvalue equation using the FEM as well as with the stochastic variational method (SVM) in which a variational wave function is expanded in a basis of a large number of correlated Gaussians. We find good agreement between the results of both methods, as well as with other theoretical works for excitons, and we also compare with available experimental data. For trions the agreement between both methods is not as good due to our neglect of angular correlations when using the FEM. Finally, when comparing the two models, we see that the presence of the valence bands in the mutiband model leads to differences with the single- band model when (interband) interactions are strong.
Address
Corporate Author Thesis
Publisher American Physical Society Place of Publication New York, N.Y Editor
Language Wos 000405706600005 Publication Date 2017-07-18
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 (up) 50 Open Access
Notes ; This work was supported by the Research Foundation of Flanders (FWO-Vl) through an aspirant research grant for MVDD. ; Approved Most recent IF: 3.836
Call Number UA @ lucian @ c:irua:145209 Serial 4716
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Author Neek-Amal, M.; Covaci, L.; Peeters, F.M.
Title Nanoengineered nonuniform strain in graphene using nanopillars Type A1 Journal article
Year 2012 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 86 Issue 4 Pages 041405
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Recent experiments showed that nonuniform strain can be produced by depositing graphene over pillars. We employed atomistic calculations to study the nonuniform strain and the induced pseudomagnetic field in graphene on top of nanopillars. By decreasing the distance between the nanopillars a complex distribution for the pseudomagnetic field can be generated. Furthermore, we performed tight-binding calculations of the local density of states (LDOS) by using the relaxed graphene configuration obtained from atomistic calculations. We find that the quasiparticle LDOS are strongly modified near the pillars, both at low energies showing sublattice polarization and at high energies showing shifts of the van Hove singularity. Our study shows that changing the specific pattern of the nanopillars allows us to create a desired shape of the pseudomagnetic field profile while the LDOS maps provide an input for experimental verification by scanning tunneling microscopy.
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000306313900001 Publication Date 2012-07-14
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited (up) 51 Open Access
Notes ; This work was supported by the Flemish Science Foundation (FWO-V1) and the EuroGRAPHENE project CONGRAN. ; Approved Most recent IF: 3.836; 2012 IF: 3.767
Call Number UA @ lucian @ c:irua:100765 Serial 2255
Permanent link to this record
 
 
Author Peelaers, H.; Partoens, B.; Peeters, F.M.
Title Phonon band structure of Si nanowires: a stability analysis Type A1 Journal article
Year 2009 Publication Nano letters Abbreviated Journal Nano Lett
Volume 9 Issue 1 Pages 107-111
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We present full ab initio calculations of the phonon band structure of thin Si nanowires oriented along the [110] direction. Using these phonon dispersion relations, we investigate the structural stability of these wires. We found that all studied wires were stable also when doped with either B or P, if the unit cell was taken sufficiently large along the wire axis. The evolution of the phonon dispersion relations and of the sound velocities with respect to the wire diameters is discussed. Softening is observed for acoustic modes and hardening for optical phonon modes with increasing wire diameters.
Address
Corporate Author Thesis
Publisher Place of Publication Washington Editor
Language Wos 000262519100020 Publication Date 2008-12-03
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1530-6984;1530-6992; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 12.712 Times cited (up) 51 Open Access
Notes Approved Most recent IF: 12.712; 2009 IF: 9.991
Call Number UA @ lucian @ c:irua:76022 Serial 2601
Permanent link to this record
 
 
Author Papp, G.; Vasilopoulos, P.; Peeters, F.M.
Title Spin polarization in a two-dimensional electron gas modulated periodically by ferromagnetic and Schottky metal stripes Type A1 Journal article
Year 2005 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 72 Issue Pages 115315,1-6
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000232229100096 Publication Date 2005-09-14
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited (up) 51 Open Access
Notes Approved Most recent IF: 3.836; 2005 IF: 3.185
Call Number UA @ lucian @ c:irua:69415 Serial 3095
Permanent link to this record
 
 
Author Berdiyorov, G.R.; Baelus, B.J.; Milošević, M.V.; Peeters, F.M.
Title Stability and transition between vortex configurations in square mesoscopic samples with antidots Type A1 Journal article
Year 2003 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 68 Issue Pages 174521,1-19
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000186971600089 Publication Date 2003-11-18
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0163-1829;1095-3795; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited (up) 51 Open Access
Notes Approved Most recent IF: 3.836; 2003 IF: NA
Call Number UA @ lucian @ c:irua:44984 Serial 3121
Permanent link to this record
 
 
Author Kong, M.; Partoens, B.; Peeters, F.M.
Title Transition between ground state and metastable states in classical two-dimensional atoms Type A1 Journal article
Year 2002 Publication Physical review : E : statistical physics, plasmas, fluids, and related interdisciplinary topics Abbreviated Journal Phys Rev E
Volume 65 Issue 4 Pages 046602,1-13
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000175146600036 Publication Date 2002-07-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1063-651X;1095-3787; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.366 Times cited (up) 51 Open Access
Notes Approved Most recent IF: 2.366; 2002 IF: 2.397
Call Number UA @ lucian @ c:irua:62440 Serial 3697
Permanent link to this record
 
 
Author Iyikanat, F.; Sahin, H.; Senger, R.T.; Peeters, F.M.
Title Vacancy formation and oxidation characteristics of single layer TiS3 Type A1 Journal article
Year 2015 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
Volume 119 Issue 119 Pages 10709-10715
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract The structural, electronic, and magnetic properties of pristine, defective, and oxidized monolayer TiS3 are investigated using first-principles calculations in the framework of density functional theory. We found that a single layer of TiS3 is a direct band gap semiconductor, and the bonding nature of the crystal is fundamentally different from other transition metal chalcogenides. The negatively charged surfaces of single layer TiS3 makes this crystal a promising material for lubrication applications. The formation energies of possible vacancies, i.e. S, Ti, TiS, and double S, are investigated via total energy optimization calculations. We found that the formation of a single S vacancy was the most likely one among the considered vacancy types. While a single S vacancy results in a nonmagnetic, semiconducting character with an enhanced band gap, other vacancy types induce metallic behavior with spin polarization of 0.3-0.8 mu(B). The reactivity of pristine and defective TiS3 crystals against oxidation was investigated using conjugate gradient calculations where we considered the interaction with atomic O, O-2, and O-3. While O-2 has the lowest binding energy with 0.05-0.07 eV, O-3 forms strong bonds stable even at moderate temperatures. The strong interaction (3.9-4.0 eV) between atomic O and TiS3 results in dissociative adsorption of some O-containing molecules. In addition, the presence of S-vacancies enhances the reactivity of the surface with atomic O, whereas it had a negative effect on the reactivity with O-2 and O-3 molecules.
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor
Language Wos 000354912200063 Publication Date 2015-04-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1932-7447;1932-7455; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.536 Times cited (up) 51 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), and HPC infrastructure of the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules foundation. H.S. is supported by a FWO Pegasus Marie Curie Fellowship. RI., H.S., and R.T.S. acknowledge the support from TUBITAK through project 114F397. ; Approved Most recent IF: 4.536; 2015 IF: 4.772
Call Number c:irua:126410 Serial 3829
Permanent link to this record
 
 
Author Partoens, B.; Peeters, F.M.
Title Classical artificial two-dimensional atoms: the Thomson model Type A1 Journal article
Year 1997 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat
Volume 9 Issue Pages 5383-5393
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos A1997XH14500007 Publication Date 0000-00-00
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 (up) 52 Open Access
Notes Approved Most recent IF: 2.649; 1997 IF: 1.479
Call Number UA @ lucian @ c:irua:19291 Serial 362
Permanent link to this record
 
 
Author Molnár, B.; Vasilopoulos, P.; Peeters, F.M.
Title Magnetoconductance through a chain of rings with or without periodically modulated spin-orbit interaction strength and magnetic field Type A1 Journal article
Year 2005 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 72 Issue Pages 075330,1-7
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000231564500117 Publication Date 2005-08-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited (up) 52 Open Access
Notes Approved Most recent IF: 3.836; 2005 IF: 3.185
Call Number UA @ lucian @ c:irua:69414 Serial 1915
Permanent link to this record
 
 
Author Sen, H.S.; Sahin, H.; Peeters, F.M.; Durgun, E.
Title Monolayers of MoS2 as an oxidation protective nanocoating material Type A1 Journal article
Year 2014 Publication Journal of applied physics Abbreviated Journal J Appl Phys
Volume 116 Issue 8 Pages 083508
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract First-principle calculations are employed to investigate the interaction of oxygen with ideal and defective MoS2 monolayers. Our calculations show that while oxygen atoms are strongly bound on top of sulfur atoms, the oxygen molecule only weakly interacts with the surface. The penetration of oxygen atoms and molecules through a defect-free MoS2 monolayer is prevented by a very high diffusion barrier indicating that MoS2 can serve as a protective layer for oxidation. The analysis is extended to WS2 and similar coating characteristics are obtained. Our calculations indicate that ideal and continuous MoS2 and WS2 monolayers can improve the oxidation and corrosion-resistance of the covered surface and can be considered as an efficient nanocoating material. (C) 2014 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution 3.0 Unported License.
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000342821600017 Publication Date 2014-08-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-8979;1089-7550; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.068 Times cited (up) 52 Open Access
Notes ; This work was supported by the bilateral project between TUBITAK (through Grant No. 113T050) and Flemish Science Foundation (FWO-Vl). The calculations were performed at TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). E.D. acknowledges support from Bilim Akademisi-The Science Academy, Turkey under the BAGEP program. H.S. is supported by an FWO Pegasus-long Marie Curie Fellowship. ; Approved Most recent IF: 2.068; 2014 IF: 2.183
Call Number UA @ lucian @ c:irua:121101 Serial 2194
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Author Bafekry, A.; Ghergherehchi, M.; Shayesteh, S.F.; Peeters, F.M.
Title Adsorption of molecules on C3N nanosheet : a first-principles calculations Type A1 Journal article
Year 2019 Publication Chemical physics Abbreviated Journal Chem Phys
Volume 526 Issue 526 Pages 110442
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Using first-principles calculations we investigate the interaction of various molecules, including H-2, N-2, CO, CO2, H2O, H2S, NH3, CH4 with a C3N nanosheet. Due to the weaker interaction between H-2, N-2, CO, CO2, H2O, H2S, NH3, and CH4 molecules with C3N, the adsorption energy is small and does not yield any significant distortion of the C3N lattice and the molecules are physisorbed. Calculated charge transfer shows that these molecules act as weak donors. However, adsorption of O-2, NO, NO2 and SO2 molecules are chemisorbed, they receive electrons from C3N and act as a strong acceptor. They interact strongly through hybridizing its frontier orbitals with the p-orbital of C3N, modifying the electronic structure of C3N. Our theoretical studies indicate that C3N-based sensor has a high potential for O-2, NO, NO2 and SO2 molecules detection.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000481606000006 Publication Date 2019-07-09
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0301-0104 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.767 Times cited (up) 52 Open Access
Notes ; This work was supported by the National Research Foundation of Korea (NRF) grant funded by the Korea government (MSIT) (NRF-2017R1A2B2011989). In addition, this work was supported by the FLAG-ERA project 2DTRANS and the Flemish Science Foundation (FWO-Vl). ; Approved Most recent IF: 1.767
Call Number UA @ admin @ c:irua:161779 Serial 5405
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Author Verberck, B.; Partoens, B.; Peeters, F.M.; Trauzettel, B.
Title Strain-induced band gaps in bilayer graphene Type A1 Journal article
Year 2012 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 85 Issue 12 Pages 125403-125403,10
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We present a tight-binding investigation of strained bilayer graphene within linear elasticity theory, focusing on the different environments experienced by the A and B carbon atoms of the different sublattices. We find that the inequivalence of the A and B atoms is enhanced by the application of perpendicular strain epsilon(zz), which provides a physical mechanism for opening a band gap, most effectively obtained when pulling the two graphene layers apart. In addition, perpendicular strain introduces electron-hole asymmetry and can result in linear electronic dispersion near the K point. Our findings suggest experimental means for strain-engineered band gaps in bilayer graphene.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000301113200005 Publication Date 2012-03-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited (up) 53 Open Access
Notes ; The authors would like to acknowledge O. Leenaerts, E. Mariani, K. H. Michel, and J. Schelter for useful discussions. B. V. was financially supported by the Flemish Science Foundation (FWO-Vl). This work was financially supported by the ESF program EuroGraphene under projects CONGRAN and ENTS as well as by the DFG. ; Approved Most recent IF: 3.836; 2012 IF: 3.767
Call Number UA @ lucian @ c:irua:97181 Serial 3168
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Author Griffin, E.; Mogg, L.; Hao, G.-P.; Kalon, G.; Bacaksiz, C.; Lopez-Polin, G.; Zhou, T.Y.; Guarochico, V.; Cai, J.; Neumann, C.; Winter, A.; Mohn, M.; Lee, J.H.; Lin, J.; Kaiser, U.; Grigorieva, I., V; Suenaga, K.; Ozyilmaz, B.; Cheng, H.-M.; Ren, W.; Turchanin, A.; Peeters, F.M.; Geim, A.K.; Lozada-Hidalgo, M.
Title Proton and Li-Ion permeation through graphene with eight-atom-ring defects Type A1 Journal article
Year 2020 Publication Acs Nano Abbreviated Journal Acs Nano
Volume 14 Issue 6 Pages 7280-7286
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract Defect-free graphene is impermeable to gases and liquids but highly permeable to thermal protons. Atomic-scale defects such as vacancies, grain boundaries, and Stone-Wales defects are predicted to enhance graphene's proton permeability and may even allow small ions through, whereas larger species such as gas molecules should remain blocked. These expectations have so far remained untested in experiment. Here, we show that atomically thin carbon films with a high density of atomic-scale defects continue blocking all molecular transport, but their proton permeability becomes similar to 1000 times higher than that of defect-free graphene. Lithium ions can also permeate through such disordered graphene. The enhanced proton and ion permeability is attributed to a high density of eight-carbon-atom rings. The latter pose approximately twice lower energy barriers for incoming protons compared to that of the six-atom rings of graphene and a relatively low barrier of similar to 0.6 eV for Li ions. Our findings suggest that disordered graphene could be of interest as membranes and protective barriers in various Li-ion and hydrogen technologies.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000543744100086 Publication Date 2020-05-19
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1936-0851 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 17.1 Times cited (up) 53 Open Access
Notes ; The work was supported by the Lloyd's Register Foundation, EPSRC-EP/N010345/1, the European Research Council, the Graphene Flagship, the Deutsche Forschungsgemeinschaft project TRR 234 “CataLight” (Project B7, Grant No. 364549901), and the research infrastructure Grant No. INST 275/25 7-1 FUGG. E.G. and L.M. acknowledge the EPSRC NowNANO programme for funding. ; Approved Most recent IF: 17.1; 2020 IF: 13.942
Call Number UA @ admin @ c:irua:170708 Serial 6586
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Author van den Broek, M.; Peeters, F.M.
Title Confined states in two-dimensional flat elliptic quantum dots and elliptic quantum wires Type A1 Journal article
Year 2001 Publication Physica. E: Low-dimensional systems and nanostructures Abbreviated Journal Physica E
Volume 11 Issue Pages 345-355
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher North-Holland Place of Publication Amsterdam Editor
Language Wos 000173201200007 Publication Date 2002-07-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1386-9477; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.221 Times cited (up) 54 Open Access
Notes Approved Most recent IF: 2.221; 2001 IF: 1.009
Call Number UA @ lucian @ c:irua:37307 Serial 486
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Author Croitoru, M.D.; Shanenko, A.A.; Peeters, F.M.
Title Dependence of superconducting properties on the size and shape of a nanoscale superconductor: from nanowire to film Type A1 Journal article
Year 2007 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 76 Issue Pages 024511,1-6
Keywords A1 Journal article; Condensed Matter Theory (CMT); Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000248496200104 Publication Date 2007-07-18
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited (up) 54 Open Access
Notes Fwo-Vi; Iap; Bof-Top Approved Most recent IF: 3.836; 2007 IF: 3.172
Call Number UA @ lucian @ c:irua:69655 Serial 643
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Author Szafran, B.; Chwiej, T.; Peeters, F.M.; Bednarek, S.; Adamowski, J.; Partoens, B.
Title Exciton and negative trion dissociation by an external electric field in vertically coupled quantum dots Type A1 Journal article
Year 2005 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 71 Issue Pages 205316,1-12
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000230244300065 Publication Date 2005-05-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited (up) 54 Open Access
Notes Approved Most recent IF: 3.836; 2005 IF: 3.185
Call Number UA @ lucian @ c:irua:62439 Serial 1110
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Author Sahin, H.; Leenaerts, O.; Singh, S.K.; Peeters, F.M.
Title Graphane Type A1 Journal article
Year 2015 Publication Wiley Interdisciplinary Reviews: Computational Molecular Science Abbreviated Journal Wires Comput Mol Sci
Volume 5 Issue 5 Pages 255-272
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Atomically thin crystals have recently been the focus of attention, in particular, after the synthesis of graphene, a monolayer hexagonal crystal structure of carbon. In this novel material class, the chemically derived graphenes have attracted tremendous interest. It was shown that, although bulk graphite is a chemically inert material, the surface of single layer graphene is rather reactive against individual atoms. So far, synthesis of several graphene derivatives have been reported such as hydrogenated graphene graphane' (CH), fluorographene (CF), and chlorographene (CCl). Moreover, the stability of bromine and iodine covered graphene were predicted using computational tools. Among these derivatives, easy synthesis, insulating electronic behavior and reversibly tunable crystal structure of graphane make this material special for future ultra-thin device applications. This overview surveys structural, electronic, magnetic, vibrational, and mechanical properties of graphane. We also present a detailed overview of research efforts devoted to the computational modeling of graphane and its derivatives. Furthermore recent progress in synthesis techniques and possible applications of graphane are reviewed as well. WIREs Comput Mol Sci 2015, 5:255-272. doi: 10.1002/wcms.1216 For further resources related to this article, please visit the . Conflict of interest: The authors have declared no conflicts of interest for this article.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000352862700001 Publication Date 2015-03-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1759-0876; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 14.016 Times cited (up) 54 Open Access
Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem foundation of the Flemish government. H. Sahin is supported by a FWO Pegasus Long Marie Curie Fellowship. ; Approved Most recent IF: 14.016; 2015 IF: 11.885
Call Number c:irua:125996 Serial 1366
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Author Geurts, R.; Milošević, M.V.; Peeters, F.M.
Title Symmetric and asymmetric vortex-antivortex molecules in a fourfold superconducting geometry Type A1 Journal article
Year 2006 Publication Physical review letters Abbreviated Journal Phys Rev Lett
Volume 97 Issue 13 Pages 1-4
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000240872700054 Publication Date 2006-09-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0031-9007;1079-7114; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 8.462 Times cited (up) 54 Open Access
Notes Approved Most recent IF: 8.462; 2006 IF: 7.072
Call Number UA @ lucian @ c:irua:60997 Serial 3401
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Author Milošević, M.V.; Yampolskii, S.V.; Peeters, F.M.
Title Vortex structure of thin mesoscopic disks in the presence of an inhomogeneous magnetic field Type A1 Journal article
Year 2002 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 66 Issue Pages 024515,1-19
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000177338400110 Publication Date 2002-07-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0163-1829;1095-3795; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited (up) 54 Open Access
Notes Approved Most recent IF: 3.836; 2002 IF: NA
Call Number UA @ lucian @ c:irua:44981 Serial 3895
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Author Pant, A.; Torun, E.; Chen, B.; Bhat, S.; Fan, X.; Wu, K.; Wright, D.P.; Peeters, F.M.; Soignard, E.; Sahin, H.; Tongay, S.
Title Strong dichroic emission in the pseudo one dimensional material ZrS3 Type A1 Journal article
Year 2016 Publication Nanoscale Abbreviated Journal Nanoscale
Volume 8 Issue 8 Pages 16259-16265
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract Zirconium trisulphide (ZrS3), a member of the layered transition metal trichalcogenides (TMTCs) family, has been studied by angle-resolved photoluminescence spectroscopy (ARPLS). The synthesized ZrS3 layers possess a pseudo one-dimensional nature where each layer consists of ZrS3 chains extending along the b-lattice direction. Our results show that the optical properties of few-layered ZrS3 are highly anisotropic as evidenced by large PL intensity variation with the polarization direction. Light is efficiently absorbed when the E-field is polarized along the chain (b-axis), but the field is greatly attenuated and absorption is reduced when it is polarized vertical to the 1D-like chains as the wavelength of the exciting light is much longer than the width of each 1D chain. The observed PL variation with polarization is similar to that of conventional 1D materials, i.e., nanowires, and nanotubes, except for the fact that here the 1D chains interact with each other giving rise to a unique linear dichroism response that falls between the 2D (planar) and 1D (chain) limit. These results not only mark the very first demonstration of PL polarization anisotropy in 2D systems, but also provide novel insight into how the interaction between adjacent 1D-like chains and the 2D nature of each layer influences the overall optical anisotropy of pseudo-1D materials. Results are anticipated to have an impact on optical technologies such as polarized detectors, near-field imaging, communication systems, and bio-applications relying on the generation and detection of polarized light.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000384531600018 Publication Date 2016-08-09
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2040-3364 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 7.367 Times cited (up) 54 Open Access
Notes ; S. Tongay gratefully acknowledges support from NSF DMR-1552220. 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). HS is supported by a FWO postdoctoral fellowship. ; Approved Most recent IF: 7.367
Call Number UA @ lucian @ c:irua:144656 Serial 4116
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