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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 (up) P1 Proceeding; Condensed Matter Theory (CMT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher 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
Permanent link to this record
 

 
Author Molnar, B.; Vasilopoulos, P.; Peeters, F.M.
  Title Square-wave conductance through a chain of rings due to spin-orbit interaction Type P1 Proceeding
  Year 2005 Publication AIP conference proceedings Abbreviated Journal
  Volume 772 Issue Pages 1335-1336
  Keywords (up) P1 Proceeding; Condensed Matter Theory (CMT)
  Abstract We study ballistic electron transport through a finite chain of quantum circular rings in the presence of spin-orbit interaction (SOI) of strength alpha. The transmission and reflection coefficients for a single ring, obtained analytical lylead to the conductance for a chain of rings as a function of alpha and of the wave vector k of the incident electron. Due to destructive spin interferences the chain can be totaly opaque for certain ranges of k the width of which depends on the value of alpha. A periodic modulation of a widens up the gaps considerably and produces a nearly binary conductance output.
  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 Series Issue Edition
  ISSN 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:94771 Serial 3113
Permanent link to this record
 

 
Author Shanenko, A.A.; Croitoru, M.D.; Vagov, A.; Peeters, F.M.
  Title Superconducting nanowires : new type of BCS-BEC crossover driven by quantum-size effects Type P1 Proceeding
  Year 2011 Publication Abbreviated Journal
  Volume Issue Pages 119-127
  Keywords (up) P1 Proceeding; Condensed Matter Theory (CMT)
  Abstract We show that a superconducting quantum nanowire undergoes a new type of BCS-BEC crossover each time when an electron subband approaches the Fermi surface. In this case the longitudinal Cooper-pair size drops by two-three orders of magnitude down to a few nanometers. This unconventional BCS-BEC crossover is driven by quantum-size effects rather than by tuning the fermion-fermion interaction.
  Address
  Corporate Author Thesis
  Publisher Springer Place of Publication Dordrecht Editor
  Language Wos 000289872900009 Publication Date 2010-12-11
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1874-6500;1874-6535; ISBN Additional Links UA library record; WoS full record
  Impact Factor Times cited Open Access
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl), the Belgian Science Policy (IAP) and the ESF-network: INSTANS. M.D.C. acknowledges support from the Alexander von Humboldt Foundation. ; Approved Most recent IF: NA
  Call Number UA @ lucian @ c:irua:89946 Serial 3359
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Author Croitoru, M.D.; Shanenko, A.A.; Peeters, F.M.
  Title Superconducting nanowires: quantum-confinement effect on the critical magnetic field and supercurrent Type P1 Proceeding
  Year 2010 Publication Abbreviated Journal
  Volume Issue Pages 327-338
  Keywords (up) P1 Proceeding; Condensed Matter Theory (CMT)
  Abstract We study the effect, of electron confinement on the superconducting-to-normal phase transition driven by a magnetic field and/or on the current-carrying state of the superconducting condensate in nanowires. Our investigation is based on a self-consistent. numerical solution of the Bogoliubov-de Gennes equations. We show that, in a parallel magnetic field and/or in the presence of supercurrent the transition from superconducting to normal phase occurs as a cascade of discontinuous jumps in the superconducting order parameter for diameters D < 10 divided by 15 nm at T = 0. The critical magnetic held exhibits quantum-size oscillations with pronounced resonant enhancements.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000278418300025 Publication Date 2010-04-08
  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 ; This work was supported by the Flemish Science Foundation (FWO-Vl), Interuni-versity Attraction Poles Programme -Belgian State -Belgian Science Policy (IAP) and the ESF-AQDJJ network. ; Approved Most recent IF: NA
  Call Number UA @ lucian @ c:irua:83294 Serial 3361
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Author Benedict, M.G.; Földi, P.; Peeters, F.M.
  Title Terahertz radiation from crystals of nanomagnets Type P1 Proceeding
  Year 2006 Publication Journal of physics : conference series Abbreviated Journal
  Volume 36 Issue Pages 12-17
  Keywords (up) P1 Proceeding; Condensed Matter Theory (CMT)
  Abstract Certain crystals, consisting of molecules with unusually large spin, exhibit macroscopically observable signatures of quantum tunneling, when a slowly varying external magnetic field is applied parallel to the easy axis of the crystal. Recently it has been observed that jumps in the magnetization are sometimes accompanied by the emission of infrared radiation. We discuss the connection of the tunneling with the electromagnetic transition, and we address the questions: to what extent can the radiation be considered as a collective, superradiant emission, and what is the role played by the cavity in the experiments? Our conclusion is that among the reported experimental coditions the radiation is not superradidance, but rather a maserlike effect.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Bristol Editor
  Language Wos 000239847500003 Publication Date 2006-05-04
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1742-6588;1742-6596; 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:94695 Serial 3508
Permanent link to this record
 

 
Author Peeters, F.M.
  Title Tuning of energy levels in a superlattice Type P1 Proceeding
  Year 1994 Publication Materials Research Society symposium proceedings Abbreviated Journal
  Volume 325 Issue Pages 471-480
  Keywords (up) P1 Proceeding; Condensed Matter Theory (CMT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Wuhan Editor
  Language Wos A1994BA45Z00064 Publication Date 0000-00-00
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0272-9172 ISBN Additional Links UA library record; WoS full record;
  Impact Factor Times cited Open Access
  Notes Approved COMPUTER SCIENCE, INTERDISCIPLINARY 11/104 Q1 # PHYSICS, MATHEMATICAL 1/53 Q1 #
  Call Number UA @ lucian @ c:irua:9381 Serial 3751
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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 (up) 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 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 (up) 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 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 (up) 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 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
Permanent link to this record
 

 
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 (up) 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 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
Permanent link to this record
 

 
Author Verreck, D.; Verhulst, A.S.; Sorée, B.; Collaert, N.; Mocuta, A.; Thean, A.; Groeseneken, G.
  Title Non-uniform strain in lattice-mismatched heterostructure tunnel field-effect transistors Type P1 Proceeding
  Year 2016 Publication Solid-State Device Research (ESSDERC), European Conference T2 – 46th European Solid-State Device Research Conference (ESSDERC) / 42nd, European Solid-State Circuits Conference (ESSCIRC), SEP 12-15, 2016, Lausanne, SWITZERLAND Abbreviated Journal
  Volume Issue Pages 412-415
  Keywords (up) P1 Proceeding; Condensed Matter Theory (CMT)
  Abstract Because of its localized impact on the band structure, non-uniform strain at the heterojunction between lattice-mismatched materials has the potential to significantly enlarge the design space for tunnel-field effect transistors (TFET). However, the impact of a complex strain profile on TFET performance is difficult to predict. We have therefore developed a 2D quantum mechanical transport formalism capable of simulating the effects of a general non-uniform strain. We demonstrate the formalism for the GaAsxSb(1-x)/InyGa(1-y) As system and show that a performance improvement over a lattice-matched reference is indeed possible, allowing for relaxed requirements on the source doping. We also point out that the added design parameter of mismatch is not free, but limited by the desired effective bandgap at the tunnel junction.
  Address
  Corporate Author Thesis
  Publisher Ieee Place of Publication New york Editor
  Language Wos Publication Date
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 978-1-5090-2969-3 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:138233 Serial 4358
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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 (up) 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 Iop publishing ltd Place of Publication Bristol Editor
  Language Wos 000389756000008 Publication Date 2016-04-29
  Series Editor Series Title Abbreviated Series Title
  Series Volume 702 Series Issue Edition
  ISSN 1742-6588; 1742-6596 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited 3 Open Access
  Notes ; ; Approved Most recent IF: NA
  Call Number UA @ lucian @ c:irua:140268 Serial 4455
Permanent link to this record
 

 
Author Moors, K.; Soree, B.; Tokei, Z.; Magnus, W.
  Title Electron relaxation times and resistivity in metallic nanowires due to tilted grain boundary planes Type P1 Proceeding
  Year 2015 Publication On Ultimate Integration On Silicon (eurosoi-ulis) Abbreviated Journal
  Volume Issue Pages 201-204
  Keywords (up) P1 Proceeding; Condensed Matter Theory (CMT)
  Abstract We calculate the resistivity contribution of tilted grain boundaries with varying parameters in sub-10nm diameter metallic nanowires. The results have been obtained with the Boltzmann transport equation and Fermi's golden rule, retrieving correct state-dependent relaxation times. The standard approximation schemes for the relaxation times are shown to fail when grain boundary tilt is considered. Grain boundaries tilted under the same angle or randomly tilted induce a resistivity decrease.
  Address
  Corporate Author Thesis
  Publisher Ieee Place of Publication New york Editor
  Language Wos Publication Date
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 978-1-4799-6911-1 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:144776 Serial 4651
Permanent link to this record
 

 
Author Verhulst, A.S.; Verreck, D.; Smets, Q.; Kao, K.-H.; Van de Put, M.; Rooyackers, R.; Sorée, B.; Vandooren, A.; De Meyer, K.; Groeseneken, G.; Heyns, M.M.; Mocuta, A.; Collaert, N.; Thean, A.V.-Y.
  Title Perspective of tunnel-FET for future low-power technology nodes Type P1 Proceeding
  Year 2014 Publication 2014 Ieee International Electron Devices Meeting (iedm) Abbreviated Journal
  Volume Issue Pages
  Keywords (up) P1 Proceeding; Condensed Matter Theory (CMT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Ieee Place of Publication New york Editor
  Language Wos Publication Date
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 978-1-4799-8000-0 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:144789 Serial 4679
Permanent link to this record
 

 
Author Verreck, D.; Verhulst, A.S.; Van de Put, M.L.; Sorée, B.; Magnus, W.; Collaert, N.; Mocuta, A.; Groeseneken, G.
  Title Self-consistent 30-band simulation approach for (non-)uniformly strained confined heterostructure tunnel field-effect transistors Type P1 Proceeding
  Year 2017 Publication Simulation of Semiconductor Processes and, Devices (SISPAD)AND DEVICES (SISPAD 2017) Abbreviated Journal
  Volume Issue Pages 29-32
  Keywords (up) P1 Proceeding; Condensed Matter Theory (CMT)
  Abstract Heterostructures of III-V materials under a mechanical strain are being actively researched to enhance the performance of the tunnel field-effect transistor (TFET). In scaled III-V device structures, however, the interplay between the effects of strain and quantum confinement on the semiconductor band structure and hence the performance is highly non-trivial. We have therefore developed a computationally efficient quantum mechanical simulator Pharos, which enables self-consistent full-zone k.p-based simulations of III-V TFETs under a general non-uniform strain. We present the self-consistent procedure and demonstrate it on confined staggered bandgap GaAs0.5Sb0.5/In0.53Ga0.47As TFETs. We find a large performance degradation due to size-induced quantum confinement compared to non-confined devices. We show that some performance can be regained either by applying a uniform biaxial tensile strain or through the non-uniform strain profile at a lattice-mismatched heterostructure.
  Address
  Corporate Author Thesis
  Publisher Ieee Place of Publication New york Editor
  Language Wos Publication Date
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 978-4-86348-610-2 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:149949 Serial 4978
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Author Bizindavyi, J.; Verhulst, A.S.; Sorée, B.; Groeseneken, G.
  Title Impact of calibrated band-tails on the subthreshold swing of pocketed TFETs Type P1 Proceeding
  Year 2018 Publication Conference digest T2 – 76th Device Research Conference (DRC), JUN 24-27, 2018, Santa Barbara, CA Abbreviated Journal
  Volume Issue Pages
  Keywords (up) P1 Proceeding; Condensed Matter Theory (CMT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Ieee Place of Publication New york Editor
  Language Wos Publication Date
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 978-1-5386-3028-0 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:153780 Serial 5106
Permanent link to this record
 

 
Author Bizindavyi, J.; Verhulst, A.S.; Sorée, B.; Groeseneken, G.
  Title Impact of calibrated band-tails on the subthreshold swing of pocketed TFETs Type P1 Proceeding
  Year 2018 Publication Conference digest T2 – 76th Device Research Conference (DRC), JUN 24-27, 2018, Santa Barbara, CA Abbreviated Journal
  Volume Issue Pages
  Keywords (up) P1 Proceeding; Condensed Matter Theory (CMT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000444728400086 Publication Date 2018-09-07
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 978-1-5386-3028-0 ISBN Additional Links UA library record; WoS full record
  Impact Factor Times cited Open Access
  Notes Approved Most recent IF: NA
  Call Number UA @ admin @ c:irua:153780 Serial 5217
Permanent link to this record
 

 
Author Kaintura, A.; Foss, K.; Couckuyt, I.; Dhaene, T.; Zografos, O.; Vaysset, A.; Sorée, B.
  Title Machine Learning for Fast Characterization of Magnetic Logic Devices Type P1 Proceeding
  Year 2018 Publication (edaps 2018) Abbreviated Journal
  Volume Issue Pages
  Keywords (up) P1 Proceeding; Condensed Matter Theory (CMT)
  Abstract Non-charge-based logic devices are promising candidates for future logic circuits. Interest in studying and developing these devices has grown dramatically in the past decade as they possess key advantages over conventional CMOS technology. Due to their novel designs, a large number of micromagnetic simulations are required to fully characterize the behavior of these devices. The number and complexity of these simulations place large computational requirements on device development. We use state-of-the-art machine learning techniques to expedite identification of their behavior. Several intelligent sampling strategies are combined with machine learning multi-class classification models. These techniques are applied to a recently developed exchange-driven magnetic logic scheme that utilizes direct exchange coupling as the main driver.
  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 978-1-5386-6592-3 ISBN Additional Links UA library record; WoS full record
  Impact Factor Times cited Open Access
  Notes Approved Most recent IF: NA
  Call Number UA @ admin @ c:irua:160484 Serial 5219
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Author Reyntjens, P.D.; Tiwari, S.; Van de Put, M.L.; Sorée, B.; Vandenberghe, W.G.
  Title Ab-initio study of magnetically intercalated Tungsten diselenide Type P1 Proceeding
  Year 2020 Publication International Conference on Simulation of Semiconductor Processes and Devices : [proceedings] T2 – International Conference on Simulation of Semiconductor Processes and, Devices (SISPAD), SEP 23-OCT 06, 2020 Abbreviated Journal
  Volume Issue Pages 97-100
  Keywords (up) P1 Proceeding; Condensed Matter Theory (CMT)
  Abstract We theoretically investigate the effect of intercalation of third row transition metals (Co, Cr, Fe, Mn, Ti and V) in the layers of WSe2. Using density functional theory (DFT), we investigate the structural stability. We also compute the DFT energies of various magnetic spin configurations. Using these energies, we construct a Heisenberg Hamiltonian and perform a Monte Carlo study on each WSe2 + intercalant system to estimate the Curie or Neel temperature. We find ferromagnetic ground states for Ti and Cr intercalation, with Curie temperatures of 31K and 225K, respectively. In Fe-intercalated WSe2, we predict that antiferromagnetic ordering is present up to 564K. For V intercalation, we find that the system exhibits a double phase transition.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000636981000025 Publication Date 2020-11-02
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 978-4-86348-763-5 ISBN Additional Links UA library record; WoS full record
  Impact Factor Times cited Open Access
  Notes Approved Most recent IF: NA
  Call Number UA @ admin @ c:irua:178345 Serial 7402
Permanent link to this record
 

 
Author Reyntjens, P.; Van de Put, M.; Vandenberghe, W.G.; Sorée, B.
  Title Ultrascaled graphene-capped interconnects : a quantum mechanical study Type P1 Proceeding
  Year 2023 Publication Proceedings of the IEEE ... International Interconnect Technology Conference T2 – IEEE International Interconnect Technology Conference (IITC) / IEEE, Materials for Advanced Metallization Conference (MAM), MAY 22-25, 2023, Dresden, Germany Abbreviated Journal
  Volume Issue Pages 1-3
  Keywords (up) P1 Proceeding; Condensed Matter Theory (CMT)
  Abstract In this theoretical study, we assess the impact of a graphene capping layer on the resistivity of defective, extremely scaled interconnects. We investigate the effect of graphene capping on the electronic transport in ultrascaled interconnects, in the presence of grain boundary defects in the metal layer. We compare the results obtained using our quantum mechanical model to a simple parallel-conductor model and find that the parallel-conductor model does not capture the effect of the graphene cap correctly. At 0.5 nm metal thickness, the parallel-conductor model underestimates the conductivity by 3.0% to 4.0% for single-sided and double sided graphene capping, respectively.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 001027381700006 Publication Date 2023-06-24
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 979-83-503-1097-9 ISBN Additional Links UA library record; WoS full record
  Impact Factor Times cited Open Access Not_Open_Access
  Notes Approved Most recent IF: NA
  Call Number UA @ admin @ c:irua:198343 Serial 8949
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Author Deylgat, E.; Chen, E.; Sorée, B.; Vandenberghe, W.G.
  Title Quantum transport study of contact resistance of edge- and top-contacted two-dimensional materials Type P1 Proceeding
  Year 2023 Publication International Conference on Simulation of Semiconductor Processes and Devices : [proceedings] T2 – International Conference on Simulation of Semiconductor Processes and, Devices (SISPAD), SEP 27-29, 2023, Kobe, Japan Abbreviated Journal
  Volume Issue Pages 45-48
  Keywords (up) P1 Proceeding; Condensed Matter Theory (CMT)
  Abstract We calculate the contact resistance for an edge- and top-contacted 2D semiconductor. The contact region consists of a metal contacting a monolayer of MoS2 which is otherwise surrounded by SiO2. We use the quantum transmitting boundary method to compute the contact resistance as a function of the 2D semiconductor doping concentration. An effective mass Hamiltonian is used to describe the properties of the various materials. The electrostatic potentials are obtained by solving the Poisson equation numerically. We incorporate the effects of the image-force barrier lowering on the Schottky barrier and examine the impact on the contact resistance. At low doping concentrations, the contact resistance of the top contact is lower compared to edge contact, while at high doping concentrations, the edge contact exhibits lower resistance.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 001117703800012 Publication Date 2023-11-20
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 978-4-86348-803-8 ISBN Additional Links UA library record; WoS full record
  Impact Factor Times cited Open Access
  Notes Approved Most recent IF: NA
  Call Number UA @ admin @ c:irua:202839 Serial 9079
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Author Shanenko, A.A.; Croitoru, M.D.; Peeters, F.M.
  Title Superconductivity in the quantum-size regime Type P1 Proceeding
  Year 2008 Publication Abbreviated Journal
  Volume Issue Pages 79-103
  Keywords (up) P1 Proceeding; Condensed Matter Theory (CMT); Electron microscopy for materials research (EMAT)
  Abstract Recent technological advances resulted in high-quality superconducting metallic nanofilms and nanowires. The physical properties of such nanostructures are governed by the size-quantization of the transverse electron spectrum. This has a substantial impact on the basic superconducting characteristics, e.g., the order parameter, the critical temperature and the critical magnetic field. In the present paper we give an overview of our theoretical results on this subject. Based on a numerical self-consistent solution of the Bogoliubov-de Gennes equations, we investigate how the superconducting properties are modified in the quantum-size regime.
  Address
  Corporate Author Thesis
  Publisher Place of Publication S.l. Editor
  Language Wos Publication Date 0000-00-00
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 978-1-4020-9144-5 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:75944 Serial 3374
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Author Peeters, F.M.; Devreese, J.T.
  Title Polaron effects in heterostructures, quantum wells and superlattices Type P1 Proceeding
  Year 1994 Publication Abbreviated Journal
  Volume Issue Pages 99-138
  Keywords (up) P1 Proceeding; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems
  Abstract
  Address
  Corporate Author Thesis
  Publisher Wiley Place of Publication New York Editor
  Language Wos A1994BD62P00004 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 1 Open Access
  Notes Approved
  Call Number UA @ lucian @ c:irua:9286 Serial 2667
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Author Saniz, R.; Vercauteren, S.; Lamoen, D.; Partoens, B.; Barbiellini, B.
  Title Accurate description of the van der Waals interaction of an electron-positron pair with the surface of a topological insulator Type P1 Proceeding
  Year 2014 Publication Journal of physics : conference series Abbreviated Journal
  Volume 505 Issue Pages 012002
  Keywords (up) P1 Proceeding; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
  Abstract Positrons can be trapped in localized states at the surface of a material, and thus quite selectively interact with core or valence surface electrons. Hence, advanced surface positron spectroscopy techniques can present the ideal tools to study a topological insulator, where surface states play a fundamental role. We analyze the problem of a positron at a TI surface, assuming that it is a weakly physisorbed positronium (Ps) atom. To determine if the surface of interest in a material can sustain such a physisorption, an accurate description of the underlying van der Waals (vdW) interaction is essential. We have developed a first-principles parameterfree method, based on the density functional theory, to extract key parameters determining the vdW interaction potential between a Ps atom and the surface of a given material. The method has been successfully applied to quartz and preliminary results on Bi2Te2Se indicate the existence of a positron surface state. We discuss the robustness of our predictions versus the most relevant approximations involved in our approach.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Bristol Editor
  Language Wos 000338216500002 Publication Date 2014-04-28
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1742-6588;1742-6596; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited 2 Open Access
  Notes ; We thank A. Weiss for very useful conversations. We acknowledge financial support from FWO-Vlaanderen (projectG.0150.13). This work was carried out using the HPC infrastructure of the University of Antwerp (CalcUA), adivision of the Flemish Supercomputer Center (VSC), funded by the Hercules foundation and the Flemish Government (EWI Department). B. B. is supported by DOE grants Nos. DE-FG02-07ER46352 and DE-AC02-05CH11231 for theory support at ALS, Berkeley, and a NERSC computer time allocation. ; Approved Most recent IF: NA
  Call Number UA @ lucian @ c:irua:118264 Serial 46
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Author Avetisyan, A.A.; Partoens, B.; Peeters, F.M.
  Title Electric field tuning of the band gap in four layers of graphene with different stacking order Type P1 Proceeding
  Year 2012 Publication Proceedings of the Society of Photo-optical Instrumentation Engineers T2 – Conference on Photonics and Micro and Nano-structured Materials, JUN 28-30, 2011, Yerevan, ARMENIA Abbreviated Journal
  Volume Issue Pages 84140-84148
  Keywords (up) P1 Proceeding; Engineering sciences. Technology; Condensed Matter Theory (CMT)
  Abstract We investigated the effect of different stacking order of the four graphene layer system on the induced band gap when positively charged top and negatively charged back gates are applied to the system. A tight-binding approach within a self-consistent Hartree approximation is used to calculate the induced charges on the different graphene layers. We show that the electric field does not open an energy gap if the multilayer graphene system contains a trilayer part with the ABA Bernal stacking.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000303856600012 Publication Date 2012-01-20
  Series Editor Series Title Abbreviated Series Title
  Series Volume 8414 Series Issue Edition
  ISSN ISBN Additional Links UA library record; WoS full record
  Impact Factor Times cited Open Access
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl), and the BelgianScience Policy (IAP). One of us (A.A.A.) was supported by a fellowship from the Belgian Federal Science Policy Office (BELSPO). ; Approved Most recent IF: NA
  Call Number UA @ lucian @ c:irua:113046 Serial 886
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Author Nguyen, N.T.T.; Peeters, F.M.
  Title Phase-diagram for the magnetic states of the Mn-ion subsystem in a magnetic quantum dot Type P1 Proceeding
  Year 2010 Publication Journal of physics : conference series T2 – Conference on Quantum Dots 2010 (QD2010), APR 26-30, 2010, Nottingham, ENGLAND Abbreviated Journal
  Volume Issue Pages 012032-12034
  Keywords (up) P1 Proceeding; Engineering sciences. Technology; Condensed Matter Theory (CMT)
  Abstract The interplay between two types of spin-spin exchange interaction (namely of the electron with the Mn-ions and the Mn-ions with each other) that are governed by the positions of the Mn-ions and the magnetic field is studied in the case of a Mn-ion doped CdTe quantum dot. We investigate the formation of different magnetic phases and the existence of frustrated magnetic states due to the dominant contribution of the Mn-Mn energy.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Bristol Editor
  Language Wos 000294907400032 Publication Date 2010-09-21
  Series Editor Series Title Abbreviated Series Title
  Series Volume 245 Series Issue Edition
  ISSN 1742-6596; 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:113081 Serial 2582
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Author Djotyan, A.P.; Avetisyan, A.A.; Hao, Y.L.; Peeters, F.M.
  Title Shallow donor near a semiconductor surface in the presence of locally spherical scanning tunneling microscope tip Type P1 Proceeding
  Year 2012 Publication Proceedings of the Society of Photo-optical Instrumentation Engineers T2 – Conference on Photonics and Micro and Nano-structured Materials, JUN 28-30, 2011, Yerevan, ARMENIA Abbreviated Journal
  Volume Issue Pages 84140-84148
  Keywords (up) P1 Proceeding; Engineering sciences. Technology; Condensed Matter Theory (CMT)
  Abstract We developed a variational approach to investigate the ground state energy and the extend of the wavefunction of a neutral donor located near a semiconductor surface in the presence of scanning tunneling microscope (STM) metallic tip. We apply the effective mass approximation and use a variational wavefunction that takes into account the influence of all image charges that arise due to the presence of a metallic tip. The behavior of the ground state energy when the tip approaches the semiconductor surface is investigated.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000303856600020 Publication Date 2012-01-20
  Series Editor Series Title Abbreviated Series Title
  Series Volume 8414 Series Issue Edition
  ISSN ISBN Additional Links UA library record; WoS full record
  Impact Factor Times cited Open Access
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl), and the Belgian Science Policy. One of us (AAA) was supported by a fellowship from the Belgian Federal Science Policy Office (Belspo). ; Approved Most recent IF: NA
  Call Number UA @ lucian @ c:irua:113047 Serial 2987
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Author Nguyen, N.T.T.; Peeters, F.M.
  Title The breakdown of Kohn's theorem in few-electron parabolic quantum dots doped with a single magnetic impurity Mn2+ Type P1 Proceeding
  Year 2010 Publication Journal of physics : conference series T2 – Conference on Quantum Dots 2010 (QD2010), APR 26-30, 2010, Nottingham, ENGLAND Abbreviated Journal
  Volume Issue Pages 012031-12034
  Keywords (up) P1 Proceeding; Engineering sciences. Technology; Condensed Matter Theory (CMT)
  Abstract The cyclotron resonance (CR) absorption spectrum is calculated for a II-VI parabolic quantum dot (QD) containing few electrons and a single magnetic dopant (Mn(2+)). We find that Kohn's theorem no longer holds for this system and that the CR spectrum depends on the number of electrons inside the QD. The electron-Mn-ion interaction strength can be tuned for example by the magnetic field and by moving the Mn-ion to different positions inside the QD. We demonstrate that due to the presence of the Mn-ion the relative motion of the electrons couple with their center-of-mass motion through the electron-Mn-ion spin-spin exchange term resulting in an electron-electron interaction dependence of the magneto-optical absorption spectrum. At the ferromagnetic-antiferromagnetic transition we observe significant discontinuities in the CR lines.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Bristol Editor
  Language Wos 000294907400031 Publication Date 2010-09-21
  Series Editor Series Title Abbreviated Series Title
  Series Volume 245 Series Issue Edition
  ISSN 1742-6596; 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:113080 Serial 3572
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Author Moldovan, D.; Peeters, F.M.
  Title Atomic Collapse in Graphene Type P1 Proceeding
  Year 2016 Publication Nanomaterials For Security Abbreviated Journal
  Volume Issue Pages 3-17
  Keywords (up) P1 Proceeding; Engineering sciences. Technology; Condensed Matter Theory (CMT)
  Abstract When the charge Z of an atom exceeds the critical value of 170, it will undergo a process called atomic collapse which triggers the spontaneous creation of electron-positron pairs. The high charge requirements have prevented the observation of this phenomenon with real atomic nuclei. However, thanks to the relativistic nature of the carriers in graphene, the same physics is accessible at a much lower scale. The atomic collapse analogue in graphene is realized using artificial nuclei which can be created via the deposition of impurities on the surface of graphene or using charged vacancies. These supercritically charged artificial nuclei trap electrons in a sequence of quasi-bound states which can be observed experimentally as resonances in the local density of states.
  Address
  Corporate Author Thesis
  Publisher Springer Place of Publication Dordrecht Editor
  Language Wos 000386506200001 Publication Date 2016-07-20
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 978-94-017-7593-9; 978-94-017-7591-5 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:138237 Serial 4348
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Author Tiwari, S.; Van de Put, M.L.; Sorée, B.; Vandenberghe, W.G.
  Title Ab initio modeling of few-layer dilute magnetic semiconductors Type P1 Proceeding
  Year 2021 Publication International Conference on Simulation of Semiconductor Processes and Devices : [proceedings] T2 – International Conference on Simulation of Semiconductor Processes and, Devices (SISPAD), SEP 27-29, 2021, Dallas, TX Abbreviated Journal
  Volume Issue Pages 141-145
  Keywords (up) P1 Proceeding; Engineering sciences. Technology; Condensed Matter Theory (CMT)
  Abstract We present a computational model to model the magnetic structure of two-dimensional (2D) dilute-magnetic-semiconductors (DMS) both the monolayers and multilayers using first-principles density functional theory (DFT), as well as their magnetic phase transition as a function of temperature using Monte-Carlo simulations. Using our method, we model the magnetic structure of bulk, bilayer, and monolayer MoS2 substitutionally doped with Fe atoms. We find that the out-of-plane interaction in bilayer MoS2 is weakly ferromagnetic, whereas in bulk MoS2 it is strongly anti-ferromagnetic. Finally, we show that the magnetic order is more robust in bilayer Fe-doped MoS2 compared to the monolayer and results in a room-temperature FM at an atomic substitution of 14-16%.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000766985400034 Publication Date 2021-11-08
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 978-1-6654-0685-7 ISBN Additional Links UA library record; WoS full record
  Impact Factor Times cited Open Access Not_Open_Access
  Notes Approved Most recent IF: NA
  Call Number UA @ admin @ c:irua:187291 Serial 7401
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