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Author Sels, D.; Sorée, B.; Groeseneken, G.
Title 2-D rotational invariant multi sub band Schrödinger-Poisson solver to model nanowire transistors Type A1 Journal article
Year 2010 Publication Abbreviated Journal
Volume (up) Issue Pages 85-88
Keywords A1 Journal article; Electron Microscopy for Materials Science (EMAT);
Abstract
Address
Corporate Author Thesis
Publisher Pisa University Press Place of Publication Pisa Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title 14th International Workshop on Computational Electronics
Series Volume Series Issue Edition
ISSN 978-1-4244-9381-4 ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:91699 Serial 6
Permanent link to this record
 
 
Author Sorée, B.; Pham, A.-T.; Sels, D.; Magnus, W.
Title The junctionless nanowire transistor Type H3 Book chapter
Year 2011 Publication Abbreviated Journal
Volume (up) Issue Pages ?
Keywords H3 Book chapter; Theory of quantum systems and complex systems; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Pan Stanford 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 ISBN 9789814364027 Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:93074 Serial 1754
Permanent link to this record
 
 
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 (up) Issue Pages
Keywords 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 Magnus, W.; Carrillo-Nunez, H.; Sorée, B.
Title Transport in nanostructures Type H3 Book chapter
Year 2011 Publication Abbreviated Journal
Volume (up) Issue Pages
Keywords H3 Book chapter; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Pan Stanford 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 ISBN 9789814364027 Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:93075 Serial 3724
Permanent link to this record
 
 
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 (up) 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 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
Permanent link to this record
 
 
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 (up) 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 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
Permanent link to this record
 
 
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 (up) 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 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 (up) 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 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 (up) Issue Pages 412-415
Keywords 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
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 (up) Issue Pages
Keywords 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 (up) Issue Pages 29-32
Keywords 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
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 (up) Issue Pages
Keywords 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 (up) Issue Pages
Keywords 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 (up) Issue Pages
Keywords 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
Permanent link to this record
 
 
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 (up) Issue Pages 141-145
Keywords 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
Permanent link to this record
 
 
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 (up) Issue Pages 97-100
Keywords 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 Tiwari, S.; Van de Put, M.L.; Sorée, B.; Vandenberghe, W.G.
Title Carrier transport in a two-dimensional topological insulator nanoribbon in the presence of vacancy defects Type P1 Proceeding
Year 2018 Publication International Conference on Simulation of Semiconductor Processes and Devices : [proceedings] T2 – International Conference on Simulation of Semiconductor Processes and, Devices (SISPAD), SEP 24-26, 2018, Austin, TX Abbreviated Journal
Volume (up) Issue Pages 92-96
Keywords P1 Proceeding; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract We model transport through two-dimensional topological insulator (TI) nanoribbons. To model the quantum transport, we employ the non-equilibrium Green's function approach. With the presented approach, we study the effect of lattice imperfections on the carrier transport. We observe that the topologically protected edge states of TIs are robust against a high percentage (2%) of vacancy defects. We also investigate tunneling of the edge states in two decoupled TI nanoribbons.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000516619300024 Publication Date 2018-12-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 978-1-5386-6790-3; 1946-1577; 978-1-5386-6791-0 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:181281 Serial 7579
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 (up) Issue Pages 1-3
Keywords 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
Permanent link to this record
 
 
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 (up) Issue Pages 45-48
Keywords 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
Permanent link to this record
 
 
Author De Clercq, M.; Moors, K.; Sankaran, K.; Pourtois, G.; Dutta, S.; Adelmann, C.; Magnus, W.; Sorée, B.
Title Resistivity scaling model for metals with conduction band anisotropy Type A1 Journal article
Year 2018 Publication Physical review materials Abbreviated Journal
Volume (up) 2 Issue 3 Pages 033801
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract It is generally understood that the resistivity of metal thin films scales with film thickness mainly due to grain boundary and boundary surface scattering. Recently, several experiments and ab initio simulations have demonstrated the impact of crystal orientation on resistivity scaling. The crystal orientation cannot be captured by the commonly used resistivity scaling models and a qualitative understanding of its impact is currently lacking. In this work, we derive a resistivity scaling model that captures grain boundary and boundary surface scattering as well as the anisotropy of the band structure. The model is applied to Cu and Ru thin films, whose conduction bands are (quasi-) isotropic and anisotropic, respectively. After calibrating the anisotropy with ab initio simulations, the resistivity scaling models are compared to experimental resistivity data and a renormalization of the fitted grain boundary reflection coefficient can be identified for textured Ru.
Address
Corporate Author Thesis
Publisher American Physical Society Place of Publication College Park, Md Editor
Language Wos 000426787600001 Publication Date 2018-03-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2475-9953 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access
Notes ; The authors acknowledge the support by the Fonds National de la Recherche Luxembourg (ATTRACT Grant No. 7556175). ; Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:149866UA @ admin @ c:irua:149866 Serial 4947
Permanent link to this record
 
 
Author Moors, K.; Contino, A.; Van de Put, M.L.; Vandenberghe, W.G.; Fischetti, M., V; Magnus, W.; Sorée, B.
Title Theoretical study of scattering in graphene ribbons in the presence of structural and atomistic edge roughness Type A1 Journal article
Year 2019 Publication Physical review materials Abbreviated Journal
Volume (up) 3 Issue 2 Pages 024001
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We investigate the diffusive electron-transport properties of charge-doped graphene ribbons and nanoribbons with imperfect edges. We consider different regimes of edge scattering, ranging from wide graphene ribbons with (partially) diffusive edge scattering to ribbons with large width variations and nanoribbons with atomistic edge roughness. For the latter, we introduce an approach based on pseudopotentials, allowing for an atomistic treatment of the band structure and the scattering potential, on the self-consistent solution of the Boltzmann transport equation within the relaxation-time approximation and taking into account the edge-roughness properties and statistics. The resulting resistivity depends strongly on the ribbon orientation, with zigzag (armchair) ribbons showing the smallest (largest) resistivity and intermediate ribbon orientations exhibiting intermediate resistivity values. The results also show clear resistivity peaks, corresponding to peaks in the density of states due to the confinement-induced subband quantization, except for armchair-edge ribbons that show a very strong width dependence because of their claromatic behavior. Furthermore, we identify a strong interplay between the relative position of the two valleys of graphene along the transport direction, the correlation profile of the atomistic edge roughness, and the chiral valley modes, leading to a peculiar strongly suppressed resistivity regime, most pronounced for the zigzag orientation.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000458161800001 Publication Date 2019-02-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2475-9953 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 4 Open Access
Notes ; We acknowledge the Research Foundation – Flanders (FWO) for supporting K.M.'s research visit at the University of Texas at Dallas, as well as the support by the National Research Fund Luxembourg (FNR) with ATTRACT Grant No. 7556175. ; Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:157499 Serial 5235
Permanent link to this record
 
 
Author Tiwari, S.; Vanherck, J.; Van de Put, M.L.; Vandenberghe, W.G.; Sorée, B.
Title Computing Curie temperature of two-dimensional ferromagnets in the presence of exchange anisotropy Type A1 Journal article
Year 2021 Publication Physical review research Abbreviated Journal
Volume (up) 3 Issue 4 Pages 043024
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We compare three first-principles methods of calculating the Curie temperature in two-dimensional (2D) ferromagnetic materials (FM), modeled using the Heisenberg model, and propose a simple formula for estimating the Curie temperature with high accuracy that works for all common 2D lattice types. First, we study the effect of exchange anisotropy on the Curie temperature calculated using the Monte Carlo (MC), the Green's function, and the renormalized spin-wave (RNSW) methods. We find that the Green's function method overestimates the Curie temperature in high-anisotropy regimes compared to the MC method, whereas the RNSW method underestimates the Curie temperature compared to the MC and the Green's function methods. Next, we propose a closed-form formula for calculating the Curie temperature of 2D FMs, which provides an estimate of the Curie temperature that is greatly improved over the mean-field expression for magnetic material screening. We apply the closed-form formula to predict the Curie temperature 2D magnets screened from the C2DB database and discover several high Curie temperature FMs, with Fe2F2 and MoI2 emerging as the most promising 2D ferromagnets. Finally, by comparing to experimental results for CrI3, CrCl3, and CrBr3, we conclude that for small effective anisotropies, the Green's-function-based equations are preferable, while for larger anisotropies, MC-based results are more predictive.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000707506500001 Publication Date 2021-10-11
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 OpenAccess
Notes Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:182522 Serial 6975
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Author Raymenants, E.; Bultynck, O.; Wan, D.; Devolder, T.; Garello, K.; Souriau, L.; Thiam, A.; Tsvetanova, D.; Canvel, Y.; Nikonov, D.E.; Young, I.A.; Heyns, M.; Sorée, B.; Asselberghs, I.; Radu, I.; Couet, S.; Nguyen, V.D.
Title Nanoscale domain wall devices with magnetic tunnel junction read and write Type A1 Journal article
Year 2021 Publication Nature Electronics Abbreviated Journal
Volume (up) 4 Issue 6 Pages 392-398
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract The manipulation of fast domain wall motion in magnetic nanostructures could form the basis of novel magnetic memory and logic devices. However, current approaches for reading and writing domain walls require external magnetic fields, or are based on conventional magnetic tunnel junctions (MTJs) that are not compatible with high-speed domain wall motion. Here we report domain wall devices based on perpendicular MTJs that offer electrical read and write, and fast domain wall motion via spin-orbit torque. The devices have a hybrid free layer design that consists of platinum/cobalt (Pt/Co) or a synthetic antiferromagnet (Pt/Co/Ru/Co) into the free layer of conventional MTJs. We show that our devices can achieve good tunnelling magnetoresistance readout and efficient spin-transfer torque writing that is comparable to current magnetic random-access memory technology, as well as domain wall depinning efficiency that is similar to stand-alone materials. We also show that a domain wall conduit based on a synthetic antiferromagnet offers the potential for reliable domain wall motion and faster write speed compared with a device based on Pt/Co. Domain wall devices based on perpendicular magnetic tunnel junctions with a hybrid free layer design can offer electrical read and write, and fast domain wall motion driven via spin-orbit torque.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000665011500005 Publication Date 2021-06-23
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2520-1131 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access OpenAccess
Notes Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:179673 Serial 7003
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Author Bizindavyi, J.; Verhulst, A.S.; Sorée, B.; Vandenberghe, W.G.
Title Thermodynamic equilibrium theory revealing increased hysteresis in ferroelectric field-effect transistors with free charge accumulation Type A1 Journal article
Year 2021 Publication Communications Physics Abbreviated Journal
Volume (up) 4 Issue 1 Pages 86
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract At the core of the theoretical framework of the ferroelectric field-effect transistor (FeFET) is the thermodynamic principle that one can determine the equilibrium behavior of ferroelectric (FERRO) systems using the appropriate thermodynamic potential. In literature, it is often implicitly assumed, without formal justification, that the Gibbs free energy is the appropriate potential and that the impact of free charge accumulation can be neglected. In this Article, we first formally demonstrate that the Grand Potential is the appropriate thermodynamic potential to analyze the equilibrium behavior of perfectly coherent and uniform FERRO-systems. We demonstrate that the Grand Potential only reduces to the Gibbs free energy for perfectly non-conductive FERRO-systems. Consequently, the Grand Potential is always required for free charge-conducting FERRO-systems. We demonstrate that free charge accumulation at the FERRO interface increases the hysteretic device characteristics. Lastly, a theoretical best-case upper limit for the interface defect density D-FI is identified. The ferroelectric field-effect transistor, which has attracted much attention for application as both a highly energy-efficient logic device and a non-volatile memory device, has often been studied within the framework of equilibrium thermodynamics. Here, the authors theoretically demonstrate the importance of utilizing the correct thermodynamic potential and investigate the impact of free charge accumulation on the equilibrium performance of ferroelectric-based systems.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000645913400001 Publication Date 2021-04-30
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2399-3650 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access OpenAccess
Notes Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:179005 Serial 7031
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Author Tiwari, S.; Van de Put, M.L.; Sorée, B.; Vandenberghe, W.G.
Title Magnetic order and critical temperature of substitutionally doped transition metal dichalcogenide monolayers Type A1 Journal article
Year 2021 Publication npj 2D Materials and Applications Abbreviated Journal
Volume (up) 5 Issue 1 Pages 54
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract Using first-principles calculations, we investigate the magnetic order in two-dimensional (2D) transition-metal-dichalcogenide (TMD) monolayers: MoS2, MoSe2, MoTe2, WSe2, and WS2 substitutionally doped with period four transition-metals (Ti, V, Cr, Mn, Fe, Co, Ni). We uncover five distinct magnetically ordered states among the 35 distinct TMD-dopant pairs: the non-magnetic (NM), the ferromagnetic with out-of-plane spin polarization (Z FM), the out-of-plane polarized clustered FMs (clustered Z FM), the in-plane polarized FMs (X-Y FM), and the anti-ferromagnetic (AFM) state. Ni and Ti dopants result in an NM state for all considered TMDs, while Cr dopants result in an anti-ferromagnetically ordered state for all the TMDs. Most remarkably, we find that Fe, Mn, Co, and V result in an FM ordered state for all the TMDs, except for MoTe2. Finally, we show that V-doped MoSe2 and WSe2, and Mn-doped MoS2, are the most suitable candidates for realizing a room-temperature FM at a 16-18% atomic substitution.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000650635200004 Publication Date 2021-05-14
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2397-7132 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access OpenAccess
Notes Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:179063 Serial 7001
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Author Sorée, B.; Magnus, W.
Title Quantized conductance without reservoirs : method of the nonequilibrium statistical operator Type A1 Journal article
Year 2007 Publication Journal of computational electronics Abbreviated Journal J Comput Electron
Volume (up) 6 Issue 1/3 Pages 255-258
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We introduce a generalized non-equilibrium statistical operator (NSO) to study a current-carrying system. The NSO is used to derive a set of quantum kinetic equations based on quantum mechanical balance equations. The quantum kinetic equations are solved self-consistently together with Poissons equation to solve a general transport problem. We show that these kinetic equations can be used to rederive the Landauer formula for the conductance of a quantum point contact, without any reference to reservoirs at different chemical potentials. Instead, energy dissipation is taken into account explicitly through the electron-phonon interaction. We find that both elastic and inelastic scattering are necessary to obtain the Landauer conductance.
Address
Corporate Author Thesis
Publisher Place of Publication S.l. Editor
Language Wos 000208473600062 Publication Date 2007-01-17
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1569-8025;1572-8137; ISBN Additional Links UA library record; WoS full record
Impact Factor 1.526 Times cited Open Access
Notes Approved Most recent IF: 1.526; 2007 IF: NA
Call Number UA @ lucian @ c:irua:89506 Serial 2769
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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 (up) 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 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 Tiwari, S.; Van de Put, M.L.; Sorée, B.; Vandenberghe, W.G.
Title Carrier transport in two-dimensional topological insulator nanoribbons in the presence of vacancy defects Type A1 Journal article
Year 2019 Publication 2D materials Abbreviated Journal 2D Mater
Volume (up) 6 Issue 2 Pages 025011
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Using the non-equilibrium Green's function formalism, we study carrier transport through imperfect two-dimensional (2D) topological insulator (TI) ribbons. In particular, we investigate the effect of vacancy defects on the carrier transport in 2D TI ribbons with hexagonal lattice structure. To account for the random distribution of the vacancy defects, we present a statistical study of varying defect densities by stochastically sampling different defect configurations. We demonstrate that the topological edge states of TI ribbons are fairly robust against a high concentration (up to 2%) of defects. At very high defect densities, we observe an increased inter-edge interaction, mediated by the localisation of the edge states within the bulk region. This effect causes significant back-scattering of the, otherwise protected, edge-states at very high defect concentrations (>2%), resulting in a loss of conduction through the TI ribbon. We discuss how this coherent vacancy scattering can be used to our advantage for the development of TI-based transistors. We find that there is an optimal concentration of vacancies yielding an ON-OFF current ratio of up to two orders of magnitude. Finally, we investigate the importance of spin-orbit coupling on the robustness of the edge states in the TI ribbon and show that increased spin-orbit coupling could further increase the ON-OFF ratio.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000457856400002 Publication Date 2019-01-22
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 3 Open Access
Notes ; This material is based in part upon work supported by the National Science Foundation under Grant Number 1710066. The project or effort depicted was or is sponsored by the Department of Defense, Defense Threat Reduction Agency. The content of the information does not necessarily reflect the position or the policy of the federal government, and no official endorsement should be inferred. This work was supported by imec's Industrial Affiliation Program. ; Approved Most recent IF: 6.937
Call Number UA @ admin @ c:irua:157464 Serial 5198
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Author Sorée, B.; Magnus, W.; Pourtois, G.
Title Analytical and self-consistent quantum mechanical model for a surrounding gate MOS nanowire operated in JFET mode Type A1 Journal article
Year 2008 Publication Journal of computational electronics Abbreviated Journal J Comput Electron
Volume (up) 7 Issue 3 Pages 380-383
Keywords A1 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract We derive an analytical model for the electrostatics and the drive current in a silicon nanowire operating in JFET mode. We show that there exists a range of nanowire radii and doping densities for which the nanowire JFET satisfies reasonable device characteristics. For thin nanowires we have developed a self-consistent quantum mechanical model to obtain the electronic structure.
Address
Corporate Author Thesis
Publisher Place of Publication S.l. Editor
Language Wos 000208473800067 Publication Date 2008-02-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1569-8025;1572-8137; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.526 Times cited 70 Open Access
Notes Approved Most recent IF: 1.526; 2008 IF: NA
Call Number UA @ lucian @ c:irua:89504 Serial 107
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Author Pourghaderi, M.A.; Magnus, W.; Sorée, B.; de Meyer, K.; Meuris, M.; Heyns, M.
Title General 2D Schrödinger-Poisson solver with open boundary conditions for nano-scale CMOS transistors Type A1 Journal article
Year 2008 Publication Journal of computational electronics Abbreviated Journal J Comput Electron
Volume (up) 7 Issue 4 Pages 475-484
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Employing the quantum transmitting boundary (QTB) method, we have developed a two-dimensional Schrödinger-Poisson solver in order to investigate quantum transport in nano-scale CMOS transistors subjected to open boundary conditions. In this paper we briefly describe the building blocks of the solver that was originally written to model silicon devices. Next, we explain how to extend the code to semiconducting materials such as germanium, having conduction bands with energy ellipsoids that are neither parallel nor perpendicular to the channel interfaces or even to each other. The latter introduces mixed derivatives in the 2D effective mass equation, thereby heavily complicating the implementation of open boundary conditions. We present a generalized quantum transmitting boundary method that mainly leans on the completeness of the eigenstates of the effective mass equation. Finally, we propose a new algorithm to calculate the chemical potentials of the source and drain reservoirs, taking into account their mutual interaction at high drain voltages. As an illustration, we present the potential and carrier density profiles obtained for a (111) Ge NMOS transistor as well as the ballistic current characteristics.
Address
Corporate Author Thesis
Publisher Place of Publication S.l. Editor
Language Wos 000209032500002 Publication Date 2008-09-02
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1569-8025;1572-8137; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.526 Times cited 3 Open Access
Notes Approved Most recent IF: 1.526; 2008 IF: NA
Call Number UA @ lucian @ c:irua:89505 Serial 1322
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