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Author de Aquino, B.R.H.; Neek-Amal, M.; Milošević, M.V.
Title Unconventional two-dimensional vibrations of a decorated carbon nanotube under electric field : linking actuation to advanced sensing ability Type A1 Journal article
Year 2017 Publication Scientific reports Abbreviated Journal Sci Rep-Uk
Volume 7 Issue Pages 13481
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract We show that a carbon nanotube decorated with different types of charged metallic nanoparticles exhibits unusual two-dimensional vibrations when actuated by applied electric field. Such vibrations and diverse possible trajectories are not only fundamentally important but also have minimum two characteristic frequencies that can be directly linked back to the properties of the constituents in the considered nanoresonator. Namely, those frequencies and the maximal deflection during vibrations are very distinctively dependent on the geometry of the nanotube, the shape, element, mass and charge of the nanoparticle, and are vastly tunable by the applied electric field, revealing the unique sensing ability of devices made of molecular filaments and metallic nanoparticles.
Address
Corporate Author Thesis
Publisher (down) Nature Publishing Group Place of Publication London Editor
Language Wos 000413188600005 Publication Date 2017-10-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2045-2322 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.259 Times cited 1 Open Access
Notes ; This work was supported by the Research Foundation – Flanders (FWO) and Shahid Rajaee Teacher Training University. ; Approved Most recent IF: 4.259
Call Number UA @ lucian @ c:irua:146672 Serial 4796
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Author Bekaert, J.; Bignardi, L.; Aperis, A.; van Abswoude, P.; Mattevi, C.; Gorovikov, S.; Petaccia, L.; Goldoni, A.; Partoens, B.; Oppeneer, P.M.; Peeters, F.M.; Milošević, M.V.; Rudolf, P.; Cepek, C.
Title Free surfaces recast superconductivity in few-monolayer MgB2 : combined first-principles and ARPES demonstration Type A1 Journal article
Year 2017 Publication Scientific reports Abbreviated Journal Sci Rep-Uk
Volume 7 Issue Pages 14458
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract <script type='text/javascript'>document.write(unpmarked('Two-dimensional materials are known to harbour properties very different from those of their bulk counterparts. Recent years have seen the rise of atomically thin superconductors, with a caveat that superconductivity is strongly depleted unless enhanced by specific substrates, intercalants or adatoms. Surprisingly, the role in superconductivity of electronic states originating from simple free surfaces of two-dimensional materials has remained elusive to date. Here, based on first-principles calculations, anisotropic Eliashberg theory, and angle-resolved photoemission spectroscopy (ARPES), we show that surface states in few-monolayer MgB2 make a major contribution to the superconducting gap spectrum and density of states, clearly distinct from the widely known, bulk-like sigma-and pi-gaps. As a proof of principle, we predict and measure the gap opening on the magnesium-based surface band up to a critical temperature as high as similar to 30 K for merely six monolayers thick MgB2. These findings establish free surfaces as an unavoidable ingredient in understanding and further tailoring of superconductivity in atomically thin materials.'));
Address
Corporate Author Thesis
Publisher (down) Nature Publishing Group Place of Publication London Editor
Language Wos 000414231000059 Publication Date 2017-10-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2045-2322 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.259 Times cited 27 Open Access
Notes ; This work was supported by TOPBOF-UAntwerp, Research Foundation Flanders (FWO), the Foundation for Fundamental Research on Matter (FOM)-part of the Netherlands Organisation for Scientific Research, the Swedish Research Council (VR) and the Rontgen-Angstrom Cluster. P.v.A. acknowledges an Ubbo Emmius fellowship for his PhD studies. The computational resources and services used for the first-principles calculations in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Research Foundation Flanders (FWO) and the Flemish Government – department EWI. Eliashberg theory calculations were supported through the Swedish National Infrastructure for Computing (SNIC). We thank D. Lonza for technical assistance in the experimental part. ; Approved Most recent IF: 4.259
Call Number UA @ lucian @ c:irua:147426 Serial 4875
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Author Dutta, S.; Zografos, O.; Gurunarayanan, S.; Radu, I.; Sorée, B.; Catthoor, F.; Naeemi, A.
Title Proposal for nanoscale cascaded plasmonic majority gates for non-Boolean computation Type A1 Journal article
Year 2017 Publication Scientific reports Abbreviated Journal Sci Rep-Uk
Volume 7 Issue Pages 17866
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract <script type='text/javascript'>document.write(unpmarked('Surface-plasmon-polariton waves propagating at the interface between a metal and a dielectric, hold the key to future high-bandwidth, dense on-chip integrated logic circuits overcoming the diffraction limitation of photonics. While recent advances in plasmonic logic have witnessed the demonstration of basic and universal logic gates, these CMOS oriented digital logic gates cannot fully utilize the expressive power of this novel technology. Here, we aim at unraveling the true potential of plasmonics by exploiting an enhanced native functionality – the majority voter. Contrary to the state-of-the-art plasmonic logic devices, we use the phase of the wave instead of the intensity as the state or computational variable. We propose and demonstrate, via numerical simulations, a comprehensive scheme for building a nanoscale cascadable plasmonic majority logic gate along with a novel referencing scheme that can directly translate the information encoded in the amplitude and phase of the wave into electric field intensity at the output. Our MIM-based 3-input majority gate displays a highly improved overall area of only 0.636 mu m(2) for a single-stage compared with previous works on plasmonic logic. The proposed device demonstrates non-Boolean computational capability and can find direct utility in highly parallel real-time signal processing applications like pattern recognition.'));
Address
Corporate Author Thesis
Publisher (down) Nature Publishing Group Place of Publication London Editor
Language Wos 000418359600116 Publication Date 2017-12-13
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2045-2322 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.259 Times cited 2 Open Access
Notes ; ; Approved Most recent IF: 4.259
Call Number UA @ lucian @ c:irua:148514 Serial 4891
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Author Andrikopoulos, D.; Sorée, B.
Title Skyrmion electrical detection with the use of three-dimensional Topological Insulators/Ferromagnetic bilayers Type A1 Journal article
Year 2017 Publication Scientific reports Abbreviated Journal Sci Rep-Uk
Volume 7 Issue Pages 17871
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract <script type='text/javascript'>document.write(unpmarked('The effect of the magnetic skyrmion texture on the electronic transport properties of the Tl surface state coupled to a thin-film FM is numerically investigated. It is shown that both Bloch (vortex) and Neel (hedgehog) skyrmion textures induce additional scattering on top of a homogeneous background FM texture which can modify the conductance of the system. The change in conductance depends on several factors including the skyrmion size, the dimensions of the FM and the exchange interaction strength. For the Neel skyrmion, the result of the interaction strongly depends on the skyrmion number N-sk and the skyrmion helicity h. For both skyrmion types, significant change of the resistance can be achieved, which is in the order of k Omega.'));
Address
Corporate Author Thesis
Publisher (down) Nature Publishing Group Place of Publication London Editor
Language Wos 000418359600121 Publication Date 2017-12-13
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2045-2322 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.259 Times cited 3 Open Access
Notes ; ; Approved Most recent IF: 4.259
Call Number UA @ lucian @ c:irua:148513 Serial 4896
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Author Berdiyorov, G.R.; Milošević, M.V.; Kusmartsev, F.; Peeters, F.M.; Savel'ev, S.
Title Josephson vortex loops in nanostructured Josephson junctions Type A1 Journal article
Year 2018 Publication Scientific reports Abbreviated Journal Sci Rep-Uk
Volume 8 Issue 8 Pages 2733
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract Linked and knotted vortex loops have recently received a revival of interest. Such three-dimensional topological entities have been observed in both classical-and super-fluids, as well as in optical systems. In superconductors, they remained obscure due to their instability against collapse – unless supported by inhomogeneous magnetic field. Here we reveal a new kind of vortex matter in superconductors -the Josephson vortex loops – formed and stabilized in planar junctions or layered superconductors as a result of nontrivial cutting and recombination of Josephson vortices around the barriers for their motion. Engineering latter barriers opens broad perspectives on loop manipulation and control of other possible knotted/linked/entangled vortex topologies in nanostructured superconductors. In the context of Josephson devices proposed to date, the high-frequency excitations of the Josephson loops can be utilized in future design of powerful emitters, tunable filters and waveguides of high-frequency electromagnetic radiation, thereby pushing forward the much needed Terahertz technology.
Address
Corporate Author Thesis
Publisher (down) Nature Publishing Group Place of Publication London Editor
Language Wos 000424630400046 Publication Date 2018-02-05
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2045-2322 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.259 Times cited 10 Open Access
Notes ; This work was supported by EU Marie-Curie program (project No: 253057), Special Research Funds of the University of Antwerp (BOF-UA), and by the Research Foundation – Flanders (FWO). ; Approved Most recent IF: 4.259
Call Number UA @ lucian @ c:irua:149262UA @ admin @ c:irua:149262 Serial 4940
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Author Pinto, N.; Rezvani, S.J.; Perali, A.; Flammia, L.; Milošević, M.V.; Fretto, M.; Cassiago, C.; De Leo, N.
Title Dimensional crossover and incipient quantum size effects in superconducting niobium nanofilms Type A1 Journal article
Year 2018 Publication Scientific reports Abbreviated Journal Sci Rep-Uk
Volume 8 Issue 8 Pages 4710
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract Superconducting and normal state properties of Niobium nanofilms have been systematically investigated as a function of film thickness, on different substrates. The width of the superconductingto- normal transition for all films is remarkably narrow, confirming their high quality. The superconducting critical current density exhibits a pronounced maximum for thickness around 25 nm, marking the 3D-to-2D crossover. The magnetic penetration depth shows a sizeable enhancement for the thinnest films. Additional amplification effects of the superconducting properties have been obtained with sapphire substrates or squeezing the lateral size of the nanofilms. For thickness close to 20 nm we measured a doubled perpendicular critical magnetic field compared to its large thickness value, indicating shortening of the correlation length and the formation of small Cooper pairs. Our data analysis indicates an exciting interplay between quantum-size and proximity effects together with strong-coupling effects and the importance of disorder in the thinnest films, placing these nanofilms close to the BCS-BEC crossover regime.
Address
Corporate Author Thesis
Publisher (down) Nature Publishing Group Place of Publication London Editor
Language Wos 000427588300011 Publication Date 2018-03-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2045-2322 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.259 Times cited 37 Open Access
Notes ; We thank Antonio Bianconi, Mauro Doria and Vincenzo Lacquaniti for useful discussions. We acknowledge the collaboration with Federica Celegato for AFM analysis and Sara Quercetti for the electrical properties characterization. A. P. and N. P. acknowledge financial support from University of Camerino FAR project CESEMN. We also acknowledge the collaboration within the MultiSuper International Network (http://www.multisuper.org) for exchange of ideas and suggestions. ; Approved Most recent IF: 4.259
Call Number UA @ lucian @ c:irua:150843UA @ admin @ c:irua:150843 Serial 4965
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Author Peeters, F.M.
Title Semiconductor Type H3 Book chapter
Year 1997 Publication Abbreviated Journal
Volume Issue Pages 350-352
Keywords H3 Book chapter; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher (down) McGraw-Hill Place of Publication New York Editor
Language Wos 000077204000044 Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:19308 Serial 2982
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Author Peeters, F.M.
Title The phase diagram Type H3 Book chapter
Year 1997 Publication Abbreviated Journal
Volume Issue Pages 17-32
Keywords H3 Book chapter; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher (down) Kluwer Academic Publishers Place of Publication Dordrecht Editor
Language Wos Publication Date 0000-00-00
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 @ lucian @ c:irua:19261 Serial 2580
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Author Peeters, F.M.; Shi, J.M.; Devreese, J.T.
Title Magneto-optics of shallow impurities in superlattices Type H1 Book chapter
Year 1993 Publication Abbreviated Journal
Volume Issue Pages 221-237
Keywords H1 Book chapter; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems
Abstract
Address
Corporate Author Thesis
Publisher (down) Kluwer Place of Publication Dordrecht Editor
Language Wos A1993BA34C00020 Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 3 Open Access
Notes Approved no
Call Number UA @ lucian @ c:irua:5789 Serial 1904
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Author Devreese, J.T.; Shi, J.M.; Peeters, F.M.
Title Magneto-polaron effect on shallow donors in 3D en Q2S systems Type H3 Book chapter
Year 1993 Publication Abbreviated Journal
Volume Issue Pages 173-184
Keywords H3 Book chapter; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems
Abstract
Address
Corporate Author Thesis
Publisher (down) Kluwer Place of Publication Dordrecht Editor
Language Wos Publication Date 0000-00-00
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 no
Call Number UA @ lucian @ c:irua:20360 Serial 1908
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Author Hai, G.Q.; Peeters, F.M.; Devreese, J.T.
Title Polaron cyclotron resonance spectrum with interface optical phonon modes in GaAs/AlAs quantum wells Type H3 Book chapter
Year 1993 Publication Abbreviated Journal
Volume Issue Pages 243-252
Keywords H3 Book chapter; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems
Abstract
Address
Corporate Author Thesis
Publisher (down) Kluwer Place of Publication Dordrecht Editor
Language Wos A1993BY55J00024 Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record; WoS full record;
Impact Factor Times cited Open Access
Notes Approved
Call Number UA @ lucian @ c:irua:5743 Serial 2664
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Author Peeters, F.M.; Partoens, B.; Kong, M.
Title The classical electron gas in artificial structures Type P3 Proceeding
Year 2004 Publication Abbreviated Journal
Volume Issue Pages 235-250
Keywords P3 Proceeding; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher (down) IOS Press Place of Publication Amsterdam Editor
Language Wos Publication Date 0000-00-00
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 @ lucian @ c:irua:62457 Serial 365
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Author Neilson, D.; Perali, A.; Zarenia, M.
Title Many-body electron correlations in graphene Type P1 Proceeding
Year 2016 Publication (mbt18) Abbreviated Journal
Volume 702 Issue 702 Pages 012008
Keywords P1 Proceeding; Condensed Matter Theory (CMT)
Abstract The conduction electrons in graphene promise new opportunities to access the region of strong many-body electron-electron correlations. Extremely high quality, atomically flat two-dimensional electron sheets and quasi-one-dimensional electron nanoribbons with tuneable band gaps that can be switched on by gates, should exhibit new many-body phenomena that have long been predicted for the regions of phase space where the average Coulomb repulsions between electrons dominate over their Fermi energies. In electron nanoribbons a few nanometres wide etched in monolayers of graphene, the quantum size effects and the van Hove singularities in their density of states further act to enhance electron correlations. For graphene multilayers or nanoribbons in a double unit electron-hole geometry, it is possible for the many-body electron-hole correlations to be made strong enough to stabilise high-temperature electron- hole superfluidity.
Address
Corporate Author Thesis
Publisher (down) Iop publishing ltd Place of Publication Bristol Editor
Language Wos 000389756000008 Publication Date 2016-04-29
Series Editor Series Title Abbreviated Series Title
Series Volume 702 Series Issue Edition
ISSN 1742-6588; 1742-6596 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 3 Open Access
Notes ; ; Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:140268 Serial 4455
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Author Leliaert, J.; Dvornik, M.; Mulkers, J.; De Clercq, J.; Milošević, M.V.; Van Waeyenberge, B.
Title Fast micromagnetic simulations on GPU-recent advances made with mumax3 Type A1 Journal article
Year 2018 Publication Journal of physics: D: applied physics Abbreviated Journal J Phys D Appl Phys
Volume 51 Issue 12 Pages 123002
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract In the last twenty years, numerical modeling has become an indispensable part of magnetism research. It has become a standard tool for both the exploration of new systems and for the interpretation of experimental data. In the last five years, the capabilities of micromagnetic modeling have dramatically increased due to the deployment of graphical processing units (GPU), which have sped up calculations to a factor of 200. This has enabled many studies which were previously unfeasible. In this topical review, we give an overview of this modeling approach and show how it has contributed to the forefront of current magnetism research.
Address
Corporate Author Thesis
Publisher (down) Iop publishing ltd Place of Publication Bristol Editor
Language Wos 000425774100001 Publication Date 2018-01-29
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-3727 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.588 Times cited 65 Open Access
Notes ; This work was supported by the Fonds Wetenschappelijk Onderzoek (FWO-Vlaanderen) through Project No. G098917N. JL is supported by the Ghent University Special Research Fund (BOF postdoctoral fellowship). We gratefully acknowledge the support of the NVIDIA Corporation with the donation of a Titan Xp GPU used for this research. ; Approved Most recent IF: 2.588
Call Number UA @ lucian @ c:irua:149852UA @ admin @ c:irua:149852 Serial 4934
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Author Ozaydin, H.D.; Sahin, H.; Kang, J.; Peeters, F.M.; Senger, R.T.
Title Electronic and magnetic properties of 1T-TiSe2 nanoribbons Type A1 Journal article
Year 2015 Publication 2D materials Abbreviated Journal 2D Mater
Volume 2 Issue 2 Pages 044002
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Motivated by the recent synthesis of single layer TiSe2, we used state-of-the-art density functional theory calculations, to investigate the structural and electronic properties of zigzag and armchair-edged nanoribbons (NRs) of this material. Our analysis reveals that, differing from ribbons of other ultra-thin materials such as graphene, TiSe2 NRs have some distinctive properties. The electronic band gap of the NRs decreases exponentially with the width and vanishes for ribbons wider than 20 angstrom. For ultranarrow zigzag-edged NRs we find odd-even oscillations in the band gap width, although their band structures show similar features. Moreover, our detailed magnetic-ground-state analysis reveals that zigzag and armchair edged ribbons have non-magnetic ground states. Passivating the dangling bonds with hydrogen at the edges of the structures influences the band dispersion. Our results shed light on the characteristic properties of T phase NRs of similar crystal structures.
Address
Corporate Author Thesis
Publisher (down) IOP Publishing Place of Publication Bristol Editor
Language Wos 000368936600005 Publication Date 2015-10-13
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2053-1583 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6.937 Times cited 20 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 ULAK-BIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). HS is supported by a FWO Pegasus Long Marie Curie Fellowship. JK is supported by a FWO Pegasus Short Marie Curie Fellowship. HDO, HS and RTS acknowledge the support from TUBITAK through project 114F397. ; Approved Most recent IF: 6.937; 2015 IF: NA
Call Number UA @ lucian @ c:irua:131602 Serial 4169
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Author Van der Donck, M.; De Beule, C.; Partoens, B.; Peeters, F.M.; Van Duppen, B.
Title Piezoelectricity in asymmetrically strained bilayer graphene Type A1 Journal article
Year 2016 Publication 2D materials Abbreviated Journal 2D Mater
Volume 3 Issue 3 Pages 035015
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We study the electronic properties of commensurate faulted bilayer graphene by diagonalizing the one-particle Hamiltonian of the bilayer system in a complete basis of Bloch states of the individual graphene layers. Our novel approach is very general and can be easily extended to any commensurate graphene-based heterostructure. Here, we consider three cases: (i) twisted bilayer graphene, (ii) bilayer graphene where triaxial stress is applied to one layer and (iii) bilayer graphene where uniaxial stress is applied to one layer. We show that the resulting superstructures can be divided into distinct classes, depending on the twist angle or the magnitude of the induced strain. The different classes are distinguished from each other by the interlayer coupling mechanism, resulting in fundamentally different low-energy physics. For the cases of triaxial and uniaxial stress, the individual graphene layers tend to decouple and we find significant charge transfer between the layers. In addition, this piezoelectric effect can be tuned by applying a perpendicular electric field. Finally, we show how our approach can be generalized to multilayer systems.
Address
Corporate Author Thesis
Publisher (down) IOP Publishing Place of Publication Bristol Editor
Language Wos 000384072500003 Publication Date 2016-08-31
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2053-1583 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6.937 Times cited 10 Open Access
Notes ; This work was supported by the Research Foundation-Flanders (FWO-Vl) through aspirant research grants to MVDD, CDB, and BVD. ; Approved Most recent IF: 6.937
Call Number UA @ lucian @ c:irua:137203 Serial 4361
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Author Sevik, C.; Wallbank, J.R.; Gulseren, O.; Peeters, F.M.; Çakir, D.
Title Gate induced monolayer behavior in twisted bilayer black phosphorus Type A1 Journal article
Year 2017 Publication 2D materials Abbreviated Journal 2D Mater
Volume 4 Issue 3 Pages 035025
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Optical and electronic properties of black phosphorus strongly depend on the number of layers and type of stacking. Using first-principles calculations within the framework of density functional theory, we investigate the electronic properties of bilayer black phosphorus with an interlayer twist angle of 90 degrees. These calculations are complemented with a simple (k) over right arrow . (p) over right arrow model which is able to capture most of the low energy features and is valid for arbitrary twist angles. The electronic spectrum of 90 degrees twisted bilayer black phosphorus is found to be x-y isotropic in contrast to the monolayer. However x-y anisotropy, and a partial return to monolayer-like behavior, particularly in the valence band, can be induced by an external out-of-plane electric field. Moreover, the preferred hole effective mass can be rotated by 90 degrees simply by changing the direction of the applied electric field. In particular, a +0.4 (-0.4) V angstrom(1) out-of-plane electric field results in a similar to 60% increase in the hole effective mass along the y (x) axis and enhances the m(y)*/m(x)* (m(x)*/m(y)*) ratio as much as by a factor of 40. Our DFT and (k) over right arrow . (p) over right arrow simulations clearly indicate that the twist angle in combination with an appropriate gate voltage is a novel way to tune the electronic and optical properties of bilayer phosphorus and it gives us a new degree of freedom to engineer the properties of black phosphorus based devices.
Address
Corporate Author Thesis
Publisher (down) IOP Publishing Place of Publication Bristol Editor
Language Wos 000406926600001 Publication Date 2017-08-03
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2053-1583 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6.937 Times cited 13 Open Access
Notes ; This work was supported by the bilateral project between the The Scientific and Technological Research Council of Turkey (TUBITAK) and FWO-Flanders, 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 (TRGrid 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. We acknowledge the support from TUBITAK (Grant No. 115F024), ERC Synergy grant Hetero2D and the EU Graphene Flagship Project. We also thank Vladimir Fal'ko for helpful discussions. ; Approved Most recent IF: 6.937
Call Number UA @ lucian @ c:irua:145151 Serial 4717
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Author Moldovan, D.; Masir, M.R.; Peeters, F.M.
Title Magnetic field dependence of the atomic collapse state in graphene Type A1 Journal article
Year 2018 Publication 2D materials Abbreviated Journal 2D Mater
Volume 5 Issue 1 Pages 015017
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract <script type='text/javascript'>document.write(unpmarked('Quantum electrodynamics predicts that heavy atoms (Z \u003E Z(c) approximate to 170) will undergo the process of atomic collapse where electrons sink into the positron continuum and a new family of so-called collapsing states emerges. The relativistic electrons in graphene exhibit the same physics but at a much lower critical charge (Z(c) approximate to 1) which has made it possible to confirm this phenomenon experimentally. However, there exist conflicting predictions on the effect of a magnetic field on atomic collapse. These theoretical predictions are based on the continuum Dirac-Weyl equation, which does not have an exact analytical solution for the interplay of a supercritical Coulomb potential and the magnetic field. Approximative solutions have been proposed, but because the two effects compete on similar energy scales, the theoretical treatment varies depending on the regime which is being considered. These limitations are overcome here by starting from a tight-binding approach and computing exact numerical results. By avoiding special limit cases, we found a smooth evolution between the different regimes. We predict that the atomic collapse effect persists even after the magnetic field is activated and that the critical charge remains unchanged. We show that the atomic collapse regime is characterized: (1) by a series of Landau level anticrossings and (2) by the absence of root B scaling of the Landau levels with regard to magnetic field strength.'));
Address
Corporate Author Thesis
Publisher (down) IOP Publishing Place of Publication Bristol Editor
Language Wos 000415015000001 Publication Date 2017-10-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2053-1583 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6.937 Times cited 13 Open Access
Notes ; We thank Eva Andrei, Jinhai Mao and Yuhang Jiang for insightful discussions. This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem Funding of the Flemish Government. ; Approved Most recent IF: 6.937
Call Number UA @ lucian @ c:irua:147361UA @ admin @ c:irua:147361 Serial 4884
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Author Peymanirad, F.; Singh, S.K.; Ghorbanfekr-Kalashami, H.; Novoselov, K.S.; Peeters, F.M.; Neek-Amal, M.
Title Thermal activated rotation of graphene flake on graphene Type A1 Journal article
Year 2017 Publication 2D materials Abbreviated Journal 2D Mater
Volume 4 Issue 2 Pages 025015
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The self rotation of a graphene flake over graphite is controlled by the size, initial misalignment and temperature. Using both ab initio calculations and molecular dynamics simulations, we investigate annealing effects on the self rotation of a graphene flake on a graphene substrate. The energy barriers for rotation and drift of a graphene flake over graphene is found to be smaller than 25 meV/atom which is comparable to thermal energy. We found that small flakes (of about similar to 4 nm) are more sensitive to temperature and initial misorientation angles than larger one (beyond 10 nm). The initial stacking configuration of the flake is found to be important for its dynamics and time evolution of misalignment. Large flakes, which are initially in the AA-or AB-stacking state with small misorientation angle, rotate and end up in the AB-stacking configuration. However small flakes can they stay in an incommensurate state specially when the initial misorientation angle is larger than 2 degrees. Our results are in agreement with recent experiments.
Address
Corporate Author Thesis
Publisher (down) IOP Publishing Place of Publication Bristol Editor
Language Wos 000424399600005 Publication Date 2017-02-02
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2053-1583 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6.937 Times cited 16 Open Access
Notes ; We would like to acknowledge Annalisa Fasolino and MM van Wijk for providing us with the implemented parameters of REBO-KC [5] in LAMMPS. This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem foundation. ; Approved Most recent IF: 6.937
Call Number UA @ lucian @ c:irua:149364 Serial 4984
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Author Hai, G.-Q.; Candido, L.; Brito, B.G.A.; Peeters, F.M.
Title Electron pairing: from metastable electron pair to bipolaron Type A1 Journal article
Year 2018 Publication Journal of physics communications Abbreviated Journal
Volume 2 Issue 3 Pages Unsp 035017
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Starting from the shell structure in atoms and the significant correlation within electron pairs, we distinguish the exchange-correlation effects between two electrons of opposite spins occupying the same orbital from the average correlation among many electrons in a crystal. In the periodic potential of the crystal with lattice constant larger than the effective Bohr radius of the valence electrons, these correlated electron pairs can form a metastable energy band above the corresponding single-electron band separated by an energy gap. In order to determine if these metastable electron pairs can be stabilized, we calculate the many-electron exchange-correlation renormalization and the polaron correction to the two-band system with single electrons and electron pairs. We find that the electron-phonon interaction is essential to counterbalance the Coulomb repulsion and to stabilize the electron pairs. The interplay of the electron-electron and electron-phonon interactions, manifested in the exchange-correlation energies, polaron effects, and screening, is responsible for the formation of electron pairs (bipolarons) that are located on the Fermi surface of the single-electron band.
Address
Corporate Author Thesis
Publisher (down) IOP Publishing Place of Publication Bristol Editor
Language Wos 000434996900022 Publication Date 2018-02-13
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2399-6528 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 9 Open Access
Notes ; This work was supported by the Brazilian agencies FAPESP and CNPq. GQH would like to thank Prof. Bangfen Zhu for his invaluable support and expert advice. ; Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:152079UA @ admin @ c:irua:152079 Serial 5022
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Author Gul, A.; Bacaksiz, C.; Unsal, E.; Akbali, B.; Tomak, A.; Zareie, H.M.; Sahin, H.
Title Theoretical and experimental investigation of conjugation of 1,6-hexanedithiol on MoS2 Type A1 Journal article
Year 2018 Publication Materials Research Express Abbreviated Journal Mater Res Express
Volume 5 Issue 3 Pages 036415
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We report an experimental and theoretical investigation of conjugation of 1,6-Hexaneditihiol (HDT) on MoS2 which is prepared by mixing MoS2 structure and HDT molecules in proper solvent. Raman spectra and the calculated phonon bands reveal that the HDT molecules bind covalently to MoS2. Surface morphology of MoS2/HDTstructure is changed upon conjugation ofHDTon MoS2 and characterized by using Scanning Electron Microscope (SEM). Density Functional Theory (DFT) based calculations show that HOMO-LUMO band gap of HDT is altered after the conjugation and two-S binding (handle-like) configuration is energetically most favorable among three different structures. This study displays that the facile thiol functionalization process of MoS2 is promising strategy for obtaining solution processable MoS2.
Address
Corporate Author Thesis
Publisher (down) IOP Publishing Place of Publication Bristol Editor
Language Wos 000428781400003 Publication Date 2018-03-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2053-1591 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.068 Times cited 2 Open Access
Notes ; Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). HS acknowledges financial support from the TUBITAK under the project number 116C073. HS acknowledges support from Bilim Akademisi-The Science Academy, Turkey under the BAGEP program. ; Approved Most recent IF: 1.068
Call Number UA @ lucian @ c:irua:154607UA @ admin @ c:irua:154607 Serial 5133
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Author Bizindavyi, J.; Verhulst, A.S.; Smets, Q.; Verreck, D.; Sorée, B.; Groeseneken, G.
Title Band-Tails Tunneling Resolving the Theory-Experiment Discrepancy in Esaki Diodes Type A1 Journal article
Year 2018 Publication IEEE journal of the Electron Devices Society Abbreviated Journal Ieee J Electron Devi
Volume 6 Issue 1 Pages 633-641
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Discrepancies exist between the theoretically predicted and experimentally measured performance of band-to-band tunneling devices, such as Esaki diodes and tunnel field-effect transistors (TFETs). We resolve this discrepancy for highly-doped, direct-bandgap Esaki diodes by successfully calibrating a semi-classical model for high-doping-induced ballistic band-tails tunneling currents at multiple temperatures with two In0.53Ga0.47As Esaki diodes using their SIMS doping profiles, C-V characteristics and their forward-bias current density in the negative differential resistance (NDR) regime. The current swing in the NDR regime is shown not to be linked to the band-tails Urbach energy. We further demonstrate theoretically that the calibrated band-tails contribution is also the dominant band-tails contribution to the subthreshold swing of the corresponding TFETs. Lastly, we verify that the presented procedure is applicable to all direct-bandgap semiconductors by successfully applying it to InAs Esaki diodes in literature.
Address
Corporate Author Thesis
Publisher (down) IEEE, Electron Devices Society Place of Publication New York, N.Y. Editor
Language Wos 000435505000013 Publication Date 2018-05-15
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2168-6734 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.141 Times cited 5 Open Access
Notes ; J. Bizindavyi gratefully acknowledges FWO-Vlaanderen for a Strategic Basic Research PhD fellowship. ; Approved Most recent IF: 3.141
Call Number UA @ lucian @ c:irua:152097UA @ admin @ c:irua:152097 Serial 5014
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Author Lujan, G.S.; Magnus, W.; Soree, B.; Pourghaderi, M.A.; Veloso, A.; van Dal, M.J.H.; Lauwers, A.; Kubicek, S.; De Gendt, S.; Heyns, M.; De Meyer, K.;
Title A new method to calculate leakage current and its applications for sub-45nm MOSFETs Type H1 Book chapter
Year 2005 Publication Solid-State Device Research (ESSDERC), European Conference T2 – ESSDERC 2005 : proceedings of 35th European Solid-State Device Research Conference, September 12-16, 2005, Grenoble, France Abbreviated Journal
Volume Issue Pages 489-492
Keywords H1 Book chapter; Condensed Matter Theory (CMT)
Abstract This paper proposes a new quantum mechanical model for the calculation of leakage currents. The model incorporates both variational calculus and the transfer matrix method to compute the subband energies and the life times of the inversion layer states. The use of variational calculus simplifies the subband energy calculation due to the analytical firm of the wave functions, which offers an attractive perspective towards the calculation of the electron mobility in the channel. The model can be extended to high-k dielectrics with several layers. Good agreement between experimental data and simulation results is obtained for metal gate capacitors.
Address
Corporate Author Thesis
Publisher (down) Ieee Place of Publication S.l. Editor
Language Wos 000236176200114 Publication Date 2005-12-13
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN 0-7803-9203-5 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:103691 Serial 2323
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Author Carrillo-Nuñez, H.; Magnus, W.; Peeters, F.M.
Title A non-linear variational principle for the self-consistent solution of Poisson's equation and a transport equation in the local density approximation Type P1 Proceeding
Year 2010 Publication Abbreviated Journal
Volume Issue Pages 171-174
Keywords P1 Proceeding; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher (down) Ieee Place of Publication New York, N.Y. Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 978-1-4244-7699-2 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:85824 Serial 2347
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Author Van de Put, M.; Thewissen, M.; Magnus, W.; Sorée, B.; Sellier, J.M.
Title Spectral force approach to solve the time-dependent Wigner-Liouville equation Type P1 Proceeding
Year 2014 Publication 2014 International Workshop On Computational Electronics (iwce) Abbreviated Journal
Volume Issue Pages
Keywords P1 Proceeding; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher (down) Ieee Place of Publication New york Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 978-1-4799-5433-9 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:122221 Serial 3071
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Author Dong, H.M.; Qin, H.; Zhang, J.; Peeters, F.M.; Xu, W.
Title Terahertz absorption window in bilayer graphene Type H1 Book chapter
Year 2009 Publication Abbreviated Journal
Volume Issue Pages 247-248
Keywords H1 Book chapter; Condensed Matter Theory (CMT)
Abstract We present a detailed theoretical study of terahertz (THz) optical absorption in bilayer graphene. Considering an air/graphene/dielectric-wafer system, we find that there is an absorption window in the range 3 similar to 30 THz. Such an absorption window is induced by different transition energies required for inter- and intra-band optical absorption in the presence of the Pauli blockade effect. As a result, the position and width of this THz absorption window depend sensitively on temperature and carrier density of the system. These results are pertinent to the applications of recently developed graphene systems as novel optoelectronic devices such as THz photo-detectors.
Address
Corporate Author Thesis
Publisher (down) Ieee Place of Publication New York, N.Y. Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN 978-1-4244-5416-7 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:99225 Serial 3506
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Author Verreck, D.; Van de Put, M.L.; Verhulst, A.S.; Sorée, B.; Magnus, W.; Dabral, A.; Thean, A.; Groeseneken, G.
Title 15-band spectral envelope function formalism applied to broken gap tunnel field-effect transistors Type P1 Proceeding
Year 2015 Publication 18th International Workshop On Computational Electronics (iwce 2015) Abbreviated Journal
Volume Issue Pages
Keywords P1 Proceeding; Condensed Matter Theory (CMT)
Abstract A carefully chosen heterostructure can significantly boost the performance of tunnel field-effect transistors (TFET). Modelling of these hetero-TFETs requires a quantum mechanical (QM) approach with an accurate band structure to allow for a correct description of band-to-band-tunneling. We have therefore developed a fully QM 2D solver, combining for the first time a full zone 15-band envelope function formalism with a spectral approach, including a heterostructure basis set transformation. Simulations of GaSb/InAs broken gap TFETs illustrate the wide body capabilities and transparant transmission analysis of the formalism.
Address
Corporate Author Thesis
Publisher (down) Ieee Place of Publication New york Editor
Language Wos 000380398200055 Publication Date 2015-10-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 978-0-692-51523-5 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:134998 Serial 4131
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Author Moors, K.; Sorée, B.; Magnus, W.
Title Analytic solution of Ando's surface roughness model with finite domain distribution functions Type P1 Proceeding
Year 2015 Publication 18th International Workshop On Computational Electronics (iwce 2015) Abbreviated Journal
Volume Issue Pages
Keywords P1 Proceeding; Condensed Matter Theory (CMT)
Abstract Ando's surface roughness model is applied to metallic nanowires and extended beyond small roughness size and infinite barrier limit approximations for the wavefunction overlaps, such as the Prange-Nee approximation. Accurate and fast simulations can still be performed without invoking these overlap approximations by averaging over roughness profiles using finite domain distribution functions to obtain an analytic solution for the scattering rates. The simulations indicate that overlap approximations, while predicting a resistivity that agrees more or less with our novel approach, poorly estimate the underlying scattering rates. All methods show that a momentum gap between left- and right-moving electrons at the Fermi level, surpassing a critical momentum gap, gives rise to a substantial decrease in resistivity.
Address
Corporate Author Thesis
Publisher (down) Ieee Place of Publication New york Editor
Language Wos Publication Date
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 978-0-692-51523-5 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:134996 Serial 4140
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Author Moors, K.; Sorée, B.; Magnus, W.
Title Modeling and tackling resistivity scaling in metal nanowires Type P1 Proceeding
Year 2015 Publication International Conference on Simulation of Semiconductor Processes and Devices : [proceedings] T2 – International Conference on Simulation of Semiconductor Processes and, Devices (SISPAD), SEP 09-11, 2015, Washington, DC Abbreviated Journal
Volume Issue Pages 222-225
Keywords P1 Proceeding; Condensed Matter Theory (CMT)
Abstract A self-consistent analytical solution of the multi-subband Boltzmann transport equation with collision term describing grain boundary and surface roughness scattering is presented to study the resistivity scaling in metal nanowires. The different scattering mechanisms and the influence of their statistical parameters are analyzed. Instead of a simple power law relating the height or width of a nanowire to its resistivity, the picture appears to be more complicated due to quantum-mechanical scattering and quantization effects, especially for surface roughness scattering.
Address
Corporate Author Thesis
Publisher (down) Ieee Place of Publication New york Editor
Language Wos Publication Date
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 978-1-4673-7860-4 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:135046 Serial 4205
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Author Van de Put, M.L.; Vandenberghe, W.G.; Magnus, W.; Sorée, B.; Fischetti, M.V.
Title Modeling of inter-ribbon tunneling in graphene Type P1 Proceeding
Year 2015 Publication 18th International Workshop On Computational Electronics (iwce 2015) Abbreviated Journal
Volume Issue Pages
Keywords P1 Proceeding; Condensed Matter Theory (CMT)
Abstract The tunneling current between two crossed graphene ribbons is described invoking the empirical pseudopotential approximation and the Bardeen transfer Hamiltonian method. Results indicate that the density of states is the most important factor determining the tunneling current between small (similar to nm) ribbons. The quasi-one dimensional nature of graphene nanoribbons is shown to result in resonant tunneling.
Address
Corporate Author Thesis
Publisher (down) Ieee Place of Publication New york Editor
Language Wos Publication Date
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 978-0-692-51523-5 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:134997 Serial 4206
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