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Author Stosic, D.; Stosic, D.; Ludermir, T.; Stosic, B.; Milošević, M.V.
Title (up) GPU-advanced 3D electromagnetic simulations of superconductors in the Ginzburg-Landau formalism Type A1 Journal article
Year 2016 Publication Journal of computational physics Abbreviated Journal J Comput Phys
Volume 322 Issue 322 Pages 183-198
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Ginzburg-Landau theory is one of the most powerful phenomenological theories in physics, with particular predictive value in superconductivity. The formalism solves coupled nonlinear differential equations for both the electronic and magnetic responsiveness of a given superconductor to external electromagnetic excitations. With order parameter varying on the short scale of the coherence length, and the magnetic field being long-range, the numerical handling of 3D simulations becomes extremely challenging and time-consuming for realistic samples. Here we show precisely how one can employ graphics-processing units (GPUs) for this type of calculations, and obtain physics answers of interest in a reasonable time-frame – with speedup of over 100x compared to best available CPU implementations of the theory on a 2563grid. (C) 2016 Elsevier Inc. All rights reserved.
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Corporate Author Thesis
Publisher Place of Publication New York Editor
Language Wos 000381585100010 Publication Date 2016-06-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-9991 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.744 Times cited 4 Open Access
Notes ; This work was supported through research grants from Brazilian agencies CNPq (306719/2012-6, 140840/2016-8) and FACEPE (IBPG-0510-1.03/15), BOF-UA, and the Research Foundation-Flanders (FWO-Vlaanderen). ; Approved Most recent IF: 2.744
Call Number UA @ lucian @ c:irua:137115 Serial 4354
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Author Sahin, H.; Leenaerts, O.; Singh, S.K.; Peeters, F.M.
Title (up) 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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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 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 Amini, M.N.; Leenaerts, O.; Partoens, B.; Lamoen, D.
Title (up) Graphane- and fluorographene-based quantum dots Type A1 Journal article
Year 2013 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
Volume 117 Issue 31 Pages 16242-16247
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
Abstract With the help of first-principles calculations, we investigate graphane/fluorographene heterostructures with special attention for graphane and fluorographene-based quantum dots. Graphane and fluorographene have large electronic band gaps, and we show that their band structures exhibit a strong type-II alignment. In this way, it is possible to obtain confined electron states in fluorographene nanostructures by embedding them in a graphane crystal. Bound hole states can be created in graphane domains embedded in a fluorographene environment. For circular graphane/fluorographene quantum dots, localized states can be observed in the band gap if the size of the radii is larger than approximately 4 to 5 Å.
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Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor
Language Wos 000323082300046 Publication Date 2013-07-15
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 14 Open Access
Notes FWO; GOW; Hercules Approved Most recent IF: 4.536; 2013 IF: 4.835
Call Number UA @ lucian @ c:irua:109457 Serial 1367
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Author Milovanovic, S.P.; Masir, M.R.; Peeters, F.M.
Title (up) Graphene hall bar with an asymmetric pn-junction Type A1 Journal article
Year 2013 Publication Journal of applied physics Abbreviated Journal J Appl Phys
Volume 113 Issue 19 Pages 193701-193708
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We investigated the magnetic field dependence of the Hall and the bend resistances in the ballistic regime for a single layer graphene Hall bar structure containing a pn-junction. When both regions are n-type the Hall resistance dominates and Hall type of plateaus are formed. These plateaus occur as a consequence of the restriction on the angle imposed by Snell's law allowing only electrons with a certain initial angles to transmit though the potential step. The size of the plateau and its position is determined by the position of the potential interface as well as the value of the applied potential. When the second region is p-type, the bend resistance dominates, which is asymmetric in field due to the presence of snake states. Changing the position of the pn-interface in the Hall bar strongly affects these states and therefore the bend resistance is also changed. Changing the applied potential, we observe that the bend resistance exhibits a peak around the charge-neutrality point (CNP), which is independent of the position of the pn-interface, while the Hall resistance shows a sign reversal when the CNP is crossed, which is in very good agreement with a recent experiment [J. R. Williams and C. M. Marcus, Phys. Rev. Lett. 107, 046602 (2011)].
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Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000319295200022 Publication Date 2013-05-16
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 7 Open Access
Notes This work was supported by the Flemish Science Foundation (FWO-Vl), the European Science Foundation (ESF) under the EUROCORES Program EuroGRAPHENE within the project CONGRAN, and the Methusalem Foundation of the Flemish government. We acknowledge fruitful discussions with M. Barbier. Approved Most recent IF: 2.068; 2013 IF: 2.185
Call Number UA @ lucian @ c:irua:108999 Serial 1371
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Author Bafekry, A.; Obeid, M.; Nguyen, C.; Bagheri Tagani, M.; Ghergherehchi, M.
Title (up) Graphene hetero-multilayer on layered platinum mineral Jacutingaite (Pt₂HgSe₃): Van der Waals heterostructures with novel optoelectronic and thermoelectric performances Type A1 Journal article
Year 2020 Publication Journal Of Materials Chemistry A Abbreviated Journal J Mater Chem A
Volume 8 Issue 26 Pages 13248-13260
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract Motivated by the recent successful synthesis of the layered platinum mineral jacutingaite (Pt2HgSe3), we have studied the optoelectronic, mechanical, and thermoelectric properties of graphene hetero-multilayer on Pt(2)HgSe(3)monolayer (PHS) heterostructures (LG/PHS) by using first-principles calculations. PHS is a topological insulator with a band gap of about 160 meV with fully relativistic calculations; when graphene layers are stacked on PHS, a narrow band gap of similar to 10-15 meV opens. In the presence of gate-voltage and out-of plane strain,i.e.pressure, the electronic properties are modified; the Dirac-cone of graphene can be shifted upwards (downward) to a lower (higher) binding energy. The absorption spectrum shows two peaks, which are located around 216 nm (5.74 eV) and protracted to 490 nm (2.53 eV), indicating that PHS could absorb more visible light. Increasing the number of graphene layers on PHS has a positive impact on the UV-vis light absorption and gives a clear red-shift with enhanced absorption intensity. To investigate the electronic performance of the heterostructure, the electrical conductance and thermopower of a device composed of graphene layers and PHS is examined by a combination of DFT and Green function formalism. The number of graphene layers can significantly tune the thermopower and electrical conductance. This analysis reveals that the heterostructures not only significantly affect the electronic properties, but they can also be used as an efficient way to modulate the optic and thermoelectric properties.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000546391600032 Publication Date 2020-05-28
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 11.9 Times cited 20 Open Access
Notes ; This work was supported by the National Research Foundation of Korea (NRF) grant funded by the Korea Government (MSIT) (NRF-2017R1A2B2011989) and Vietnam National Foundation for Science and Technology Development (NAFOSTED) under grant number 103.01-2019.05. ; Approved Most recent IF: 11.9; 2020 IF: 8.867
Call Number UA @ admin @ c:irua:169755 Serial 6529
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Author Masir, M.R.; Vasilopoulos, P.; Peeters, F.M.
Title (up) Graphene in inhomogeneous magnetic fields : bound, quasi-bound and scattering states Type A1 Journal article
Year 2011 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat
Volume 23 Issue 31 Pages 315301,1-315301,14
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The electron states in graphene-based magnetic dot and magnetic ring structures and combinations of both are investigated. The corresponding spectra are studied as a function of the radii, the strengths of the inhomogeneous magnetic field and of a uniform background field, the strength of an electrostatic barrier and the angular momentum quantum number. In the absence of an external magnetic field we have only long-lived quasi-bound and scattering states and we assess their influence on the density of states. In addition, we consider elastic electron scattering by a magnetic dot, whose average B vanishes, and show that the Hall and longitudinal resistivities, as a function of the Fermi energy, exhibit a pronounced oscillatory structure due to the presence of quasi-bound states. Depending on the dot parameters this oscillatory structure differs substantially for energies below and above the first Landau level.
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Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000293008900002 Publication Date 2011-07-16
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0953-8984;1361-648X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.649 Times cited 38 Open Access
Notes ; This work was supported by the European Science Foundation (ESF) under the EUROCORES Program EuroGRAPHENE, the Canadian NSERC grant no. OGP0121756 and the Belgian Science Policy (IAP). We acknowledge discussions and correspondence with Professor A Matulis. ; Approved Most recent IF: 2.649; 2011 IF: 2.546
Call Number UA @ lucian @ c:irua:91176 Serial 1372
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Author Milovanović, S.P.; Tadic, M.Z.; Peeters, F.M.
Title (up) Graphene membrane as a pressure gauge Type A1 Journal article
Year 2017 Publication Applied physics letters Abbreviated Journal Appl Phys Lett
Volume 111 Issue 4 Pages 043101
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Straining graphene results in the appearance of a pseudo-magnetic field which alters its local electronic properties. Applying a pressure difference between the two sides of the membrane causes it to bend/bulge resulting in a resistance change. We find that the resistance changes linearly with pressure for bubbles of small radius while the response becomes non-linear for bubbles that stretch almost to the edges of the sample. This is explained as due to the strong interference of propagating electronic modes inside the bubble. Our calculations show that high gauge factors can be obtained in this way which makes graphene a good candidate for pressure sensing. Published by AIP Publishing.
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Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000406779700035 Publication Date 2017-07-24
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 11 Open Access
Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl), the Methusalem program, the Erasmus+ programme, and the Serbian Ministry of Education, Science and Technological Development. ; Approved Most recent IF: 3.411
Call Number UA @ lucian @ c:irua:145202 Serial 4718
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Author Neek-Amal, M.; Peeters, F.M.
Title (up) Graphene nanoribbons subjected to axial stress Type A1 Journal article
Year 2010 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 82 Issue 8 Pages 085432-085432,6
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Atomistic simulations are used to study the bending of rectangular graphene nanoribbons subjected to axial stress both for free boundary and supported boundary conditions. The shapes of the deformations of the buckled graphene nanoribbons, for small values of the stress, are sine waves where the number of nodal lines depend on the longitudinal size of the system and the applied boundary condition. The buckling strain for the supported boundary condition is found to be independent of the longitudinal size and estimated to be 0.86%. From a calculation of the free energy at finite temperature we find that the equilibrium projected two-dimensional area of the graphene nanoribbon is less than the area of a flat sheet. At the optimum length the boundary strain for the supported boundary condition is 0.48%.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000281065100007 Publication Date 2010-08-20
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 92 Open Access
Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Belgian Science Policy (IAP). ; Approved Most recent IF: 3.836; 2010 IF: 3.774
Call Number UA @ lucian @ c:irua:84583 Serial 1373
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Author Neek-Amal, M.; Peeters, F.M.
Title (up) Graphene on boron-nitride : Moiré pattern in the van der Waals energy Type A1 Journal article
Year 2014 Publication Applied physics letters Abbreviated Journal Appl Phys Lett
Volume 104 Issue 4 Pages 041909-4
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The spatial dependence of the van der Waals (vdW) energy between graphene and hexagonal boron-nitride (h-BN) is investigated using atomistic simulations. The van der Waals energy between graphene and h-BN shows a hexagonal superlattice structure identical to the observed Moire pattern in the local density of states, which depends on the lattice mismatch and misorientation angle between graphene and h-BN. Our results provide atomistic features of the weak van der Waals interaction between graphene and BN which are in agreement with experiment and provide an analytical expression for the size of the spatial variation of the weak van der Waals interaction. We also found that the A-B-lattice symmetry of graphene is broken along the armchair direction. (C) 2014 AIP Publishing LLC.
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Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000331209900028 Publication Date 2014-01-31
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 61 Open Access
Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem Foundation of the Flemish Government. M.N.-A was supported by the EU-Marie Curie IIF postdoctoral Fellowship/299855. ; Approved Most recent IF: 3.411; 2014 IF: 3.302
Call Number UA @ lucian @ c:irua:115802 Serial 1374
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Author Neek-Amal, M.; Peeters, F.M.
Title (up) Graphene on hexagonal lattice substrate : stress and pseudo-magnetic field Type A1 Journal article
Year 2014 Publication Applied physics letters Abbreviated Journal Appl Phys Lett
Volume 104 Issue 17 Pages 173106
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Moire patterns in the pseudo-magnetic field and in the strain profile of graphene (GE) when put on top of a hexagonal lattice substrate are predicted from elasticity theory. The van der Waals interaction between GE and the substrate induces out-of-plane deformations in graphene which results in a strain field, and consequently in a pseudo-magnetic field. When the misorientation angle is about 0.5 degrees, a three-fold symmetric strain field is realized that results in a pseudo-magnetic field very similar to the one proposed by F. Guinea, M. I. Katsnelson, and A. K. Geim [Nature Phys. 6, 30 (2010)]. Our results show that the periodicity and length of the pseudo-magnetic field can be tuned in GE by changing the misorientation angle and substrate adhesion parameters and a considerable energy gap (23 meV) can be obtained due to out-of-plane deformation of graphene which is in the range of recent experimental measurements (20-30 meV). (C) 2014 AIP Publishing LLC.
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Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000336142500066 Publication Date 2014-05-02
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 14 Open Access
Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem Foundation of the Flemish Government. M.N.-A. was supported by the EU-Marie Curie IIF postdoc Fellowship 299855. ; Approved Most recent IF: 3.411; 2014 IF: 3.302
Call Number UA @ lucian @ c:irua:117724 Serial 1375
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Author Abdullah, H.M.; Van der Donck, M.; Bahlouli, H.; Peeters, F.M.; Van Duppen, B.
Title (up) Graphene quantum blisters : a tunable system to confine charge carriers Type A1 Journal article
Year 2018 Publication Applied physics letters Abbreviated Journal Appl Phys Lett
Volume 112 Issue 21 Pages 213101
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Due to Klein tunneling, electrostatic confinement of electrons in graphene is not possible. This hinders the use of graphene for quantum dot applications. Only through quasi-bound states with finite lifetime has one achieved to confine charge carriers. Here, we propose that bilayer graphene with a local region of decoupled graphene layers is able to generate bound states under the application of an electrostatic gate. The discrete energy levels in such a quantum blister correspond to localized electron and hole states in the top and bottom layers. We find that this layer localization and the energy spectrum itself are tunable by a global electrostatic gate and that the latter also coincides with the electronic modes in a graphene disk. Curiously, states with energy close to the continuum exist primarily in the classically forbidden region outside the domain defining the blister. The results are robust against variations in size and shape of the blister which shows that it is a versatile system to achieve tunable electrostatic confinement in graphene. Published by AIP Publishing.
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Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000433140900025 Publication Date 2018-05-22
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 9 Open Access
Notes ; H.M.A. and H.B. acknowledge the Saudi Center for Theoretical Physics (SCTP) for their generous support and the support of KFUPM under physics research group Project Nos. RG1502-1 and RG1502-2. This work was supported by the Flemish Science Foundation (FWO-Vl) by a post-doctoral fellowship (B.V.D.) and a doctoral fellowship (M.V.d.D.). ; Approved Most recent IF: 3.411
Call Number UA @ lucian @ c:irua:151505UA @ admin @ c:irua:151505 Serial 5027
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Author Van Pottelberge, R.; Zarenia, M.; Vasilopoulos, P.; Peeters, F.M.
Title (up) Graphene quantum dot with a Coulomb impurity : subcritical and supercritical regime Type A1 Journal article
Year 2017 Publication Physical review B Abbreviated Journal Phys Rev B
Volume 95 Issue 24 Pages 245410
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We study the influence of confinement on the atomic collapse due to a Coulomb impurity placed at the center of a graphene quantum dot of radius R. We apply the zigzag or infinite-mass boundary condition and consider both a point-size and a finite-size impurity. As a function of the impurity strength Za, the energy spectra are discrete. In the case of the zigzag boundary condition, the degenerate (with respect to the angular momentum m) zero-energy levels are pulled down in energy as Z alpha increases, and they remain below epsilon = – Z alpha. Our results show that the energy levels exhibit a 1/R dependence in the subcritical regime [Z alpha < |km + 1/2|, k = 1 (-1) for the K (K') valley]. In the supercritical regime (Z alpha > |km + 1/2|) we find a qualitatively very different behavior where the levels decrease as a function of R in a nonmonotonic manner. While the valley symmetry is preserved in the presence of the impurity, we find that the impurity breaks electron-hole symmetry. We further study the energy spectrum of zigzag quantum dots in gapped graphene. Our results show that as the gap increases, the lowest electron states are pushed into the gap by the impurity.
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Corporate Author Thesis
Publisher American Physical Society Place of Publication New York, N.Y Editor
Language Wos 000403072400005 Publication Date 2017-06-13
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 13 Open Access
Notes ; We thank Massoud Ramezani-Masir and Dean Moldovan for fruitful discussions. This work was supported by the Flemish Science Foundation (FWO-Vl), the Methusalem funding of the Flemish Government, and by the Canadian NSERC Grant No. OGP0121756 (P. V.). ; Approved Most recent IF: 3.836
Call Number UA @ lucian @ c:irua:144197 Serial 4661
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Author Costa Filho, R.N.; Farias, G.A.; Peeters, F.M.
Title (up) Graphene ribbons with a line of impurities: oOpening of a gap Type A1 Journal article
Year 2007 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 76 Issue Pages 193409,1-4
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000251326800034 Publication Date 2007-11-28
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 49 Open Access
Notes Approved Most recent IF: 3.836; 2007 IF: 3.172
Call Number UA @ lucian @ c:irua:69661 Serial 1376
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Author Schoelz, J.K.; Xu, P.; Meunier, V.; Kumar, P.; Neek-Amal, M.; Thibado, P.M.; Peeters, F.M.
Title (up) Graphene ripples as a realization of a two-dimensional Ising model : a scanning tunneling microscope study Type A1 Journal article
Year 2015 Publication Physical review: B: condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 91 Issue 91 Pages 045413
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Ripples in pristine freestanding graphene naturally orient themselves in an array that is alternately curved-up and curved-down; maintaining an average height of zero. Using scanning tunneling microscopy (STM) to apply a local force, the graphene sheet will reversibly rise and fall in height until the height reaches 60%-70% of its maximum at which point a sudden, permanent jump occurs. We successfully model the ripples as a spin-half Ising magnetic system, where the height of the graphene plays the role of the spin. The permanent jump in height, controlled by the tunneling current, is found to be equivalent to an antiferromagnetic-to-ferromagnetic phase transition. The thermal load underneath the STM tip alters the local tension and is identified as the responsible mechanism for the phase transition. Four universal critical exponents are measured from our STM data, and the model provides insight into the statistical role of graphene's unusual negative thermal expansion coefficient.
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Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000348762200011 Publication Date 2015-01-12
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 21 Open Access
Notes ; This work was supported in part by Office of Naval Research (USA) under Grant No. N00014-10-1-0181 and National Science Foundation (USA) under Grant No. DMR-0855358. F. M. Peeters and M. Neek-Amal were supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem Foundation of the Flemish Government. ; Approved Most recent IF: 3.836; 2015 IF: 3.736
Call Number c:irua:123866 Serial 1377
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Author Kong, X.; Li, L.; Peeters, F.M.
Title (up) Graphene-based heterostructures with moire superlattice that preserve the Dirac cone: a first-principles study Type A1 Journal article
Year 2019 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat
Volume 31 Issue 25 Pages 255302
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract In van der Waals heterostructures consisting of graphene and a substrate, lattice mismatch often leads to a moire pattern with a huge supercell, preventing its treatment within first- principles calculations. Previous theoretical works considered mostly simple stacking models such as AB, AA with straining the lattice of graphene to match that of the substrate. Here, we propose a moire superlattice build from graphene and porous graphene or graphyne like monolayers, having a lower interlayer binding energy, needing little strain in order to match the lattices. In contrast to the results from the simple stacking models, the present ab initio calculations for the moire superlattices show different properties in lattice structure, energy, and band structures. For example, the Dirac cone at the K point is preserved and a linear energy dispersion near the Fermi level is obtained.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000464184300001 Publication Date 2019-03-25
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 4 Open Access
Notes ; This work is supported by the Collaborative Innovation Center of Quantum Matter, the Fonds voor Wetenschappelijk Onderzoek (FWO-Vl) and the FLAG-ERA project TRANS-2D-TMD. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Research Foundation-Flanders (FWO) and the Flemish Government-department EWI, and the National Supercomputing Center in Tianjin, funded by the Collaborative Innovation Center of Quantum Matter. ; Approved Most recent IF: 2.649
Call Number UA @ admin @ c:irua:159314 Serial 5215
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Author Ghorbanfekr Kalashami, H.
Title (up) Graphene-based membranes and nanoconfined water : molecular dynamics simulation study Type Doctoral thesis
Year 2019 Publication Abbreviated Journal
Volume Issue Pages 243 p.
Keywords Doctoral thesis; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date
Series Editor Series Title Abbreviated Series Title
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 @ admin @ c:irua:160548 Serial 5216
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Author Pereira, J.M., Jr.; Mlinar, V.; Peeters, F.M.; Vasilopoulos, P.
Title (up) Graphene-based quantum wires Type P1 Proceeding
Year 2007 Publication AIP conference proceedings T2 – 28th International Conference on the Physics of Semiconductors (ICPS-28), JUL 24-28, 2006, Vienna, AUSTRIA Abbreviated Journal
Volume Issue Pages 721-722
Keywords P1 Proceeding; Condensed Matter Theory (CMT)
Abstract We investigate the properties of carriers in graphene-based quantum wires created by potential barriers, by means of analytical and numerical calculations. We obtain expressions for the energy spectrum as a function of barrier height, well width and linear momentum along the wire. The results demonstrate a direction-dependent resonant transmission across the potential well.
Address
Corporate Author Thesis
Publisher Place of Publication New York Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume 893 Series Issue Edition
ISSN 978-0-7354-0397-0; 0094-243x ISBN Additional Links UA library record; WoS full record;
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:103601 Serial 1369
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Author Milton Pereira, J.; Vasilopoulos, P.; Peeters, F.M.
Title (up) Graphene-based resonant-tunneling structures Type A1 Journal article
Year 2007 Publication Applied physics letters Abbreviated Journal Appl Phys Lett
Volume 90 Issue 13 Pages 132122,1-3
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 000245317100056 Publication Date 2007-03-30
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0003-6951; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.411 Times cited 147 Open Access
Notes Approved Most recent IF: 3.411; 2007 IF: 3.596
Call Number UA @ lucian @ c:irua:64303 Serial 1370
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Author Bafekry, A.
Title (up) Graphene-like BC₆N single-layer: tunable electronic and magnetic properties via thickness, gating, topological defects, and adatom/molecule Type A1 Journal article
Year 2020 Publication Physica E-Low-Dimensional Systems & Nanostructures Abbreviated Journal Physica E
Volume 118 Issue Pages 113850-15
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract By using density functional theory-based first-principles calculations, we investigate the structural, electronic, optical, and transport properties of pristine single-layer BC6N. Under different external actions and functionalization. Increasing the thickness of the structure results in a decrease of the band gap. Applying a perpendicular electric field decreases the band gap and a semiconductor-to-topological insulator transition is revealed. Uniaxial and biaxial strains of +8% result in a semiconductor-to-metal transition. Nanoribbons of BC6N having zigzag edge with even (odd) values of widths, become metal (semiconductor), while the armchair edge nanoribbons exhibit robust semiconducting behavior. In addition, we systematically investigate the effect of surface adatom and molecule, substitutional impurity and defect engineering on the electronic properties of single-layer BC6N and found transitions from metal to half-metal, to ferromagnetic metal, to dilute magnetic semiconductor, and even to spin-glass semiconductor. Furthermore we found that, topological defects including vacancies and Stone–Wales type, induce magnetism in single-layer BC6N.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000515321700032 Publication Date 2019-12-04
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 3.3 Times cited 30 Open Access
Notes ; ; Approved Most recent IF: 3.3; 2020 IF: 2.221
Call Number UA @ admin @ c:irua:169750 Serial 6530
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Author Peymanirad, F.; Neek Amal, M.; Beheshtian, J.; Peeters, F.M.
Title (up) Graphene-silicene bilayer : a nanocapacitor with permanent dipole and piezoelectricity effect Type A1 Journal article
Year 2015 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 92 Issue 92 Pages 155113
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Using density functional theory, we study the electronic properties of a graphene-silicene bilayer (GSB). A single layer of silicene binds to the graphene layer with adhesion energy of about 25 meV/atom. This adhesion energy between the two layers follows accurately the well-known -1/z(2) dispersion energy as found between two infinite parallel plates. In small flakes of GSB with hydrogenated edges, negative charge is transferred from the graphene layer to the silicene layer, producing a permanent and a switchable polar bilayer, while in an infinite GSB, the negative charge is transferred from the silicene layer to the graphene layer. The graphene-silicene bilayer is a good candidate for a nanocapacitor with piezoelectric capabilities. We found that the permanent dipole of the bilayer can be tuned by an external perpendicular electric field.
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000362493400002 Publication Date 2015-10-09
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 17 Open Access
Notes Approved Most recent IF: 3.836; 2015 IF: 3.736
Call Number UA @ lucian @ c:irua:128762 Serial 4188
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Author Leenaerts, O.; Partoens, B.; Peeters, F.M.
Title (up) Graphene: a perfect nanoballoon Type A1 Journal article
Year 2008 Publication Applied physics letters Abbreviated Journal Appl Phys Lett
Volume 93 Issue 19 Pages 193107,1-193107,3
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We have performed a first-principles density functional theory investigation of the penetration of helium atoms through a graphene monolayer with defects. The relaxation of the graphene layer caused by the incoming helium atoms does not have a strong influence on the height of the energy barriers for penetration. For defective graphene layers, the penetration barriers decrease exponentially with the size of the defects but they are still sufficiently high that very large defects are needed to make the graphene sheet permeable for small atoms and molecules. This makes graphene a very promising material for the construction of nanocages and nanomembranes.
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000260944100090 Publication Date 2008-11-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0003-6951; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.411 Times cited 295 Open Access
Notes This work was supported by the Flemish Science Foundation (FWO-Vl), the NOI-BOF of the University of Antwerp, and the Belgian Science Policy (IAP). Approved Most recent IF: 3.411; 2008 IF: 3.726
Call Number UA @ lucian @ c:irua:73196 Serial 1368
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Author Saniz, R.; Partoens, B.; Peeters, F.M.
Title (up) Green function approach to superconductivity in nanowires Type A1 Journal article
Year 2012 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 85 Issue 14 Pages 144504-144504,7
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Superconductivity in nanowires made of weak coupling superconductor materials is investigated using a Green function approach. We show that these are multigap systems in which the ratio Delta(T)/k(B)T(c) is to a large extent similar to what is observed in some high-T-c two-gap systems, such as MgB2 and some of the Fe-based superconductors. On the other hand, because of confinement, the superfluid density has a temperature behavior of the form n(s)(T) = 1 – (T/T-c)(3) near T-c, thus deviating from the BCS behavior for bulk superconductors.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000302290700006 Publication Date 2012-04-03
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 1 Open Access
Notes ; This work was supported by FWO-Vl and the Belgian Science Policy (IAP). ; Approved Most recent IF: 3.836; 2012 IF: 3.767
Call Number UA @ lucian @ c:irua:97764 Serial 1381
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Author Munarin, F.F.; Ferreira, W.P.; Farias, G.A.; Peeters, F.M.
Title (up) Ground state and normal-mode spectra of a two-dimensional system of dipole particles confined in a parabolic trap Type A1 Journal article
Year 2008 Publication Physical review : E : statistical, nonlinear, and soft matter physics Abbreviated Journal Phys Rev E
Volume 78 Issue 3 Part 1 Pages 031405-31412
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The ordered configurations of a monolayer of interacting magnetic dipoles confined in a circular parabolic potential are investigated as a function of the dipole moment of the particles. Despite the circular confinement, we find very asymmetric ordered structures like chains and Y-shaped configurations when a magnetic field is applied parallel to the plane of the particles. The normal-mode spectrum of the particles and its dependence on the magnetic field and the strength of the dipole moment of the particles are studied. The vibrational and rotational modes of the spectrum, which are associated with the stability of the system, are investigated in detail. The number of particles is varied and we found different ordering of the particles for different values of the dipole moment and the magnetic field. A ring structure with a large number of particles is observed for high values of the dipole moment of the particles.
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication Woodbury (NY) Editor
Language Wos 000259682700057 Publication Date 2008-09-18
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1539-3755;1550-2376; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.366 Times cited 5 Open Access
Notes Approved Most recent IF: 2.366; 2008 IF: 2.508
Call Number UA @ lucian @ c:irua:103084 Serial 1382
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Author Tavernier, M.B.; Anisimovas, E.; Peeters, F.M.
Title (up) Ground state and vortex structure of the N=5 and N=6 electron quantum dot Type A1 Journal article
Year 2006 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 74 Issue 12 Pages 125305,1-9
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000240872500054 Publication Date 2006-09-13
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 23 Open Access
Notes Approved Most recent IF: 3.836; 2006 IF: 3.107
Call Number UA @ lucian @ c:irua:61000 Serial 1383
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Author Tomecka, D.M.; Kamieniarz, G.; Partoens, B.; Peeters, F.M.
Title (up) Ground state configurations and melting of two-dimensional non-uniformly charged classical clusters Type A1 Journal article
Year 2009 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat
Volume 21 Issue 15 Pages 155301,1-155301,7
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We consider classical two-dimensional (2D) Coulomb clusters consisting of two species containing five particles with charge q1 and five with charge q2, respectively. Using Monte Carlo and molecular dynamics (MD) simulations, we investigated the ground state configurations as well as radial and angular displacements of particles as a function of temperature and their dependence on the ratio q = q2/q1. We found new configurations and a new multi-step melting behavior for q sufficiently different from the uniform charge limit q = 1.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000264708600007 Publication Date 2009-03-18
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0953-8984;1361-648X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.649 Times cited 2 Open Access
Notes Approved Most recent IF: 2.649; 2009 IF: 1.964
Call Number UA @ lucian @ c:irua:76412 Serial 1384
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Author Chen, Z.; Kong, M.; Milošević, M.V.; Wu, Y.
Title (up) Ground state configurations of two-dimensional plasma crystals under long-range attractive particle interaction force Type A1 Journal article
Year 2003 Publication Physica scripta Abbreviated Journal Phys Scripta
Volume 67 Issue 5 Pages 439
Keywords A1 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Stockholm Editor
Language Wos 000183154800014 Publication Date 2003-07-31
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0031-8949;1402-4896; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.28 Times cited 4 Open Access
Notes Approved Most recent IF: 1.28; 2003 IF: 0.688
Call Number UA @ lucian @ c:irua:57249 Serial 1385
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Author Castelano, L.K.; Hai, G.-Q.; Partoens, B.; Peeters, F.M.
Title (up) Ground state configurations of vertically coupled quantum rings Type A1 Journal article
Year 2007 Publication Physica status solidi: C: conferences and critical reviews Abbreviated Journal
Volume 4 Issue 2 Pages 560-562
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Berlin Editor
Language Wos 000245877200097 Publication Date 2007-02-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1610-1634;1610-1642; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 1 Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:69665 Serial 1386
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Author Riva, C.; Peeters, F.M.; Varga, K.
Title (up) Ground state of excitons and charged excitons in a quantum well Type A1 Journal article
Year 2000 Publication Physica status solidi: A: applied research T2 – 6th International Conference on Optics of Excitons in Confined Systems, (OECS-6), AUG 30-SEP 02, 1999, ASCONA, SWITZERLAND Abbreviated Journal Phys Status Solidi A
Volume 178 Issue 1 Pages 513-517
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract A variational calculation of the ground state of a neutral exciton and of positively and negatively charged excitons (trions) in a single quantum well is presented. We study the dependence of the correlation energy and of the binding energy on the well width and on the hole mass. Our results are compared with previous theoretical results and with available experimental data.
Address
Corporate Author Thesis
Publisher Place of Publication Berlin Editor
Language Wos 000086440500089 Publication Date 2002-09-11
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0031-8965;1521-396X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 16 Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:103467 Serial 1389
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Author Gonzalez, A.; Partoens, B.; Matulis, A.; Peeters, F.M.
Title (up) Ground-state energy of confined bosons in two dimensions Type A1 Journal article
Year 1999 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 59 Issue Pages 1653-1656
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000078291000027 Publication Date 2002-07-27
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 13 Open Access
Notes Approved Most recent IF: 3.836; 1999 IF: NA
Call Number UA @ lucian @ c:irua:24159 Serial 1387
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Author Kuopanportti, P.; Orlova, N.V.; Milošević, M.V.
Title (up) Ground-state multiquantum vortices in rotating two-species superfluids Type A1 Journal article
Year 2015 Publication Physical review : A : atomic, molecular and optical physics Abbreviated Journal Phys Rev A
Volume 91 Issue 91 Pages 043605
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We show numerically that a rotating, harmonically trapped mixture of two Bose-Einstein-condensed superfluids cancontrary to its single-species counterpartcontain a multiply quantized vortex in the ground state of the system. This giant vortex can occur without any accompanying single-quantum vortices, may either be coreless or have an empty core, and can be realized in a Rb87−K41 Bose-Einstein condensate. Our results not only provide a rare example of a stable, solitary multiquantum vortex but also reveal exotic physics stemming from the coexistence of multiple, compositionally distinct condensates in one system.
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000352255200005 Publication Date 2015-04-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1050-2947;1094-1622; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.925 Times cited 25 Open Access
Notes ; This work was supported by the Finnish Cultural Foundation, the Research Foundation – Flanders (FWO), and the Magnus Ehrnrooth Foundation. We thank E. Ruokokoski and T. P. Simula for valuable comments and discussions. ; Approved Most recent IF: 2.925; 2015 IF: 2.808
Call Number c:irua:124906 Serial 1388
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