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Records |
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Author |
De Backer, L.A.; Vos, W.G.; Salgado, R.; de Backer, J.W.; Devolder, A.; Verhulst, S.L.; Claes, R.; Germonpré, P.R.; de Backer, W.A. |
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Title |
Functional imaging using computer methods to compare the effect of salbutamol and ipratropium bromide in patient-specific airway models of COPD |
Type |
A1 Journal article |
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Year |
2011 |
Publication |
International journal of chronic obstructive pulmonary disease |
Abbreviated Journal |
Int J Chronic Obstr |
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Volume |
6 |
Issue |
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Pages |
637-646 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT); Vision lab; Laboratory Experimental Medicine and Pediatrics (LEMP) |
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Abstract |
Background: Salbutamol and ipratropium bromide improve lung function in patients with chronic obstructive pulmonary disease (COPD). However, their bronchodilating effect has not yet been compared in the central and distal airways. Functional imaging using computational fluid dynamics offers the possibility of making such a comparison. The objective of this study was to assess the effects of salbutamol and ipratropium bromide on the geometry and computational fluid dynamics-based resistance of the central and distal airways.Methods: Five patients with Global Initiative for Chronic Obstructive Lung Disease Stage III COPD were randomized to a single dose of salbutamol or ipratropium bromide in a crossover manner with a 1-week interval between treatments. Patients underwent lung function testing and a multislice computed tomography scan of the thorax that was used for functional imaging. Two hours after dosing, the patients again underwent lung function tests and repeat computed tomography.Results: Lung function parameters, including forced expiratory volume in 1 second, vital capacity, overall airway resistance, and specific airway resistance, changed significantly after administration of each product. On functional imaging, the bronchodilating effect was greater in the distal airways, with a corresponding drop in airway resistance, compared with the central airways. Salbutamol and ipratropium bromide were equally effective at first glance when looking at lung function tests, but when viewed in more detail with functional imaging, hyporesponsiveness could be shown for salbutamol in one patient. Salbutamol was more effective in the other patients.Conclusion: This pilot study gives an innovative insight into the modes of action of salbutamol and ipratropium bromide in patients with COPD, using the new techniques of functional imaging and computational fluid dynamics. |
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Corporate Author |
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Thesis |
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Place of Publication |
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Language |
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Wos |
000208709800068 |
Publication Date |
2011-11-28 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1178-2005; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.157 |
Times cited |
25 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 3.157; 2011 IF: NA |
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Call Number |
UA @ lucian @ c:irua:93165 |
Serial |
1300 |
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Permanent link to this record |
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Author |
Maistrenko, Y.L.; Vasylenko, A.; Sudakov, O.; Levchenko, R.; Maistrenko, V.L. |
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Title |
Cascades of multiheaded chimera states for coupled phase oscillators |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
International journal of bifurcation and chaos in applied sciences and engineering |
Abbreviated Journal |
Int J Bifurcat Chaos |
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Volume |
24 |
Issue |
8 |
Pages |
1440014 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
Chimera state is a recently discovered dynamical phenomenon in arrays of nonlocally coupled oscillators, that displays a self-organized spatial pattern of coexisting coherence and incoherence. We discuss the appearance of the chimera states in networks of phase oscillators with attractive and with repulsive interactions, i.e. when the coupling respectively favors synchronization or works against it. By systematically analyzing the dependence of the spatiotemporal dynamics on the level of coupling attractivity/repulsivity and the range of coupling, we uncover that different types of chimera states exist in wide domains of the parameter space as cascades of the states with increasing number of intervals of irregularity, so-called chimera's heads. We report three scenarios for the chimera birth: (1) via saddle-node bifurcation on a resonant invariant circle, also known as SNIC or SNIPER, (2) via blue-sky catastrophe, when two periodic orbits, stable and saddle, approach each other creating a saddle-node periodic orbit, and (3) via homoclinic transition with complex multistable dynamics including an “eight-like” limit cycle resulting eventually in a chimera state. |
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Corporate Author |
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Place of Publication |
Singapore |
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Wos |
000341494900015 |
Publication Date |
2014-08-29 |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0218-1274;1793-6551; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.329 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 1.329; 2014 IF: 1.078 |
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Call Number |
UA @ lucian @ c:irua:119303 |
Serial |
285 |
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Permanent link to this record |
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Author |
Deylgat, E.; Chen, E.; Sorée, B.; Vandenberghe, W.G. |
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Title |
Quantum transport study of contact resistance of edge- and top-contacted two-dimensional materials |
Type |
P1 Proceeding |
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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 |
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Volume |
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Issue |
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Pages |
45-48 |
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Keywords |
P1 Proceeding; Condensed Matter Theory (CMT) |
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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. |
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Wos |
001117703800012 |
Publication Date |
2023-11-20 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
978-4-86348-803-8 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:202839 |
Serial |
9079 |
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Permanent link to this record |
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Author |
Tiwari, S.; Van de Put, M.L.; Sorée, B.; Vandenberghe, W.G. |
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Title |
Ab initio modeling of few-layer dilute magnetic semiconductors |
Type |
P1 Proceeding |
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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 |
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Volume |
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Issue |
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Pages |
141-145 |
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Keywords |
P1 Proceeding; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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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%. |
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Place of Publication |
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Editor |
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Wos |
000766985400034 |
Publication Date |
2021-11-08 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
978-1-6654-0685-7 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
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Times cited |
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Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:187291 |
Serial |
7401 |
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Permanent link to this record |
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Author |
Tiwari, S.; Van de Put, M.L.; Sorée, B.; Vandenberghe, W.G. |
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Title |
Carrier transport in a two-dimensional topological insulator nanoribbon in the presence of vacancy defects |
Type |
P1 Proceeding |
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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 |
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Volume |
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Issue |
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Pages |
92-96 |
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Keywords |
P1 Proceeding; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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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. |
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Wos |
000516619300024 |
Publication Date |
2018-12-08 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
978-1-5386-6790-3; 1946-1577; 978-1-5386-6791-0 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:181281 |
Serial |
7579 |
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Permanent link to this record |
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Author |
Reyntjens, P.D.; Tiwari, S.; Van de Put, M.L.; Sorée, B.; Vandenberghe, W.G. |
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Title |
Ab-initio study of magnetically intercalated Tungsten diselenide |
Type |
P1 Proceeding |
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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 |
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Volume |
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Issue |
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Pages |
97-100 |
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Keywords |
P1 Proceeding; Condensed Matter Theory (CMT) |
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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. |
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Corporate Author |
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Thesis |
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Place of Publication |
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Editor |
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Wos |
000636981000025 |
Publication Date |
2020-11-02 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
978-4-86348-763-5 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:178345 |
Serial |
7402 |
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Permanent link to this record |
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Author |
Moors, K.; Sorée, B.; Magnus, W. |
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Title |
Modeling and tackling resistivity scaling in metal nanowires |
Type |
P1 Proceeding |
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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 |
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Volume |
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Issue |
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Pages |
222-225 |
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Keywords |
P1 Proceeding; Condensed Matter Theory (CMT) |
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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. |
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Corporate Author |
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Thesis |
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Publisher |
Ieee |
Place of Publication |
New york |
Editor |
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Language |
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Wos |
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Publication Date |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
978-1-4673-7860-4 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ lucian @ c:irua:135046 |
Serial |
4205 |
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Permanent link to this record |
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Author |
Luo, Y.; He, Y.; Ding, Y.; Zuo, L.; Zhong, C.; Ma, Y.; Sun, M. |
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Title |
Defective biphenylene as high-efficiency hydrogen evolution catalysts |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Inorganic chemistry |
Abbreviated Journal |
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Volume |
63 |
Issue |
2 |
Pages |
1136-1141 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Electrocatalysts play a pivotal role in advancing the application of water splitting for hydrogen production. This research unveils the potential of defective biphenylenes as high-efficiency catalysts for the hydrogen evolution reaction. Using first-principles simulations, we systematically investigated the structure, stability, and catalytic performance of defective biphenylenes. Our findings unveil that defect engineering significantly enhances the electrocatalytic activity for hydrogen evolution. Specifically, biphenylene with a double-vacancy defect exhibits an outstanding Gibbs free energy of -0.08 eV, surpassing that of Pt, accompanied by a remarkable exchange current density of -3.08 A cm(-2), also surpassing that of Pt. Furthermore, we find the preference for the Volmer-Heyrovsky mechanism in the hydrogen evolution reaction, with a low energy barrier of 0.80 eV. This research provides a promising avenue for developing novel metal-free electrocatalysts for water splitting with earth-abundant carbon elements, making a significant step toward sustainable hydrogen production. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
001143581300001 |
Publication Date |
2023-12-31 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0020-1669 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:202780 |
Serial |
9018 |
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Permanent link to this record |
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Author |
Vinchurkar, S.; De Backer, L.; Vos, W.; Van Holsbeke, C.; de Backer, J.; de Backer, W. |
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Title |
A case series on lung deposition analysis of inhaled medication using functional imaging based computational fluid dynamics in asthmatic patients : effect of upper airway morphology and comparison with in vivo data |
Type |
A1 Journal article |
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Year |
2012 |
Publication |
Inhalation Toxicology |
Abbreviated Journal |
Inhal Toxicol |
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Volume |
24 |
Issue |
2 |
Pages |
81-88 |
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Keywords |
A1 Journal article; Pharmacology. Therapy; Biophysics and Biomedical Physics; Condensed Matter Theory (CMT); Laboratory Experimental Medicine and Pediatrics (LEMP) |
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Abstract |
Context: Asthma affects 20 million Americans resulting in an economic burden of approximately $18 billion in the US alone (Allergies and Asthma Foundation 2000; National Center for Environmental Health (NCEH) 1999). Research studies based on differences in patient-specific airway morphology for asthma and the associated effect on deposition of inhaled aerosols are currently not available in the literature. Therefore, the role of morphological variations such as upper airway (extrathoracic) occlusion is not well documented. Objective: Functional imaging based computational fluid dynamics (CFD) of the respiratory airways for five asthmatic subjects is performed in this study using computed tomography (CT) based patient-specific airway models and boundary conditions. Methods: CT scans for 5 asthma patients were used to reconstruct 3D lung models using segmentation software. An averaged inhalation profile and patient-specific lobar flow distribution were used to perform the simulation. The simulations were used to obtain deposition for BDP/Formoterol (R) HFA pMDI in the patient-specific airway models. Results: The lung deposition obtained using CFD was in excellent agreement with available in vivo data using the same product. Specifically, CFD resulted in 30% lung deposition, whereas in vivo lung deposition was reported to be approximately 31%. Conclusion: It was concluded that a combination of patient-specific airway models and lobar boundary conditions can be used to obtain accurate lung deposition estimates. Lower lung deposition can be expected for patients with higher extrathoracic resistance. Novel respiratory drug delivery devices need to accommodate population subgroups based on these morphological and anatomical differences in addition to subject age. |
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Corporate Author |
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Publisher |
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Place of Publication |
New York, N.Y. |
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Wos |
000299744800001 |
Publication Date |
2012-01-20 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0895-8378;1091-7691; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.751 |
Times cited |
36 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 1.751; 2012 IF: 1.894 |
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Call Number |
UA @ lucian @ c:irua:96238 |
Serial |
286 |
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Permanent link to this record |
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Author |
Kong, M.; Ferreira, W.P.; Partoens, B.; Peeters, F.M. |
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Title |
Magnetic field dependence of the normal mode spectrum of a planar complex plasma cluster |
Type |
A1 Journal article |
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Year |
2004 |
Publication |
IEEE transactions on plasma science |
Abbreviated Journal |
Ieee T Plasma Sci |
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Volume |
32 |
Issue |
2,2 |
Pages |
569-572 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000222278400007 |
Publication Date |
2004-06-30 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0093-3813; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.052 |
Times cited |
4 |
Open Access |
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Notes |
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Approved |
Most recent IF: 1.052; 2004 IF: 1.042 |
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Call Number |
UA @ lucian @ c:irua:62453 |
Serial |
1871 |
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Permanent link to this record |
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Author |
Kao, K.-H.; Verhulst, A.S.; Vandenberghe, W.G.; Sorée, B.; Groeseneken, G.; De Meyer, K. |
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Title |
Direct and indirect band-to-band tunneling in germanium-based TFETs |
Type |
A1 Journal article |
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Year |
2012 |
Publication |
IEEE transactions on electron devices |
Abbreviated Journal |
Ieee T Electron Dev |
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Volume |
59 |
Issue |
2 |
Pages |
292-301 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Germanium is a widely used material for tunnel FETs because of its small band gap and compatibility with silicon. Typically, only the indirect band gap of Ge at 0.66 eV is considered. However, direct band-to-band tunneling (BTBT) in Ge should be included in tunnel FET modeling and simulations since the energy difference between the Ge conduction band edges at the L and G valleys is only 0.14 eV at room temperature. In this paper, we theoretically calculate the parameters A and B of Kane's direct and indirect BTBT models at different tunneling directions ([100], [110], and [111]) for Si, Ge and unstrained Si1-xGex. We highlight how the direct BTBT component becomes more important as the Ge mole fraction increases. The calculation of the band-to-band generation rate in the uniform electric field limit reveals that direct tunneling always dominates over indirect tunneling in Ge. The impact of the direct transition in Ge on the performance of two realistic tunnel field-effect transistor configurations is illustrated with TCAD simulations. The influence of field-induced quantum confinement is included in the analysis based on a back-of-the-envelope calculation. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000299430200005 |
Publication Date |
2011-12-07 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0018-9383;1557-9646; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.605 |
Times cited |
212 |
Open Access |
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Notes |
; Manuscript received August 5, 2011; revised October 5, 2011 and October 28, 2011; accepted October 30, 2011. Date of publication December 7, 2011; date of current version January 25, 2012. This work was supported by the Interuniversity Microelectronics Center's (IMEC) Industrial Affiliation Program. The work of W. G. Vandenberghe was supported by a Ph.D. stipend from the Institute for the Promotion of Innovation through Science and Technology in Flanders (IWT-Vlaanderen). The review of this paper was arranged by Editor A. Schenk. ; |
Approved |
Most recent IF: 2.605; 2012 IF: 2.062 |
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|
Call Number |
UA @ lucian @ c:irua:97215 |
Serial |
708 |
|
Permanent link to this record |
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Author |
Kao, K.-H.; Verhulst, A.S.; Vandenberghe, W.G.; Sorée, B.; Magnus, W.; Leonelli, D.; Groeseneken, G.; De Meyer, K. |
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|
Title |
Optimization of gate-on-source-only tunnel FETs with counter-doped pockets |
Type |
A1 Journal article |
|
Year |
2012 |
Publication |
IEEE transactions on electron devices |
Abbreviated Journal |
Ieee T Electron Dev |
|
|
Volume |
59 |
Issue |
8 |
Pages |
2070-2077 |
|
|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We investigate a promising tunnel FET configuration having a gate on the source only, which is simultaneously exhibiting a steeper subthreshold slope and a higher ON-current than the lateral tunneling configuration with a gate on the channel. Our analysis is performed based on a recently developed 2-D quantum-mechanical simulator calculating band-to-band tunneling and including quantum confinement (QC). It is shown that the two disadvantages of the structure, namely, the sensitivity to gate alignment and the physical oxide thickness, are mitigated by placing a counter-doped parallel pocket underneath the gate-source overlap. The pocket also significantly reduces the field-induced QC. The findings are illustrated with all-Si and all-Ge gate-on-source-only tunnel field-effect transistor simulations. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
New York, N.Y. |
Editor |
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Language |
|
Wos |
000306920200011 |
Publication Date |
2012-06-27 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
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|
ISSN |
0018-9383;1557-9646; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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|
Impact Factor |
2.605 |
Times cited |
72 |
Open Access |
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|
Notes |
; Manuscript received February 17, 2012; revised May 7, 2012; accepted May 11, 2012. Date of publication June 26, 2012; date of current version July 19, 2012. This work was supported by the Interuniversity Microelectronics Center's Industrial Affiliation Program. The work of W. G. Vandenberghe was supported by the Institute for the Promotion of Innovation through Science and Technology in Flanders (IWT-Vlaanderen) through a Ph.D. stipend. The review of this paper was arranged by Editor H. S. Momose. ; |
Approved |
Most recent IF: 2.605; 2012 IF: 2.062 |
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Call Number |
UA @ lucian @ c:irua:100820 |
Serial |
2487 |
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Permanent link to this record |
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Author |
Bizindavyi, J.; Verhulst, A.S.; Sorée, B.; Groeseneken, G. |
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Title |
Signature of ballistic band-tail tunneling current in tunnel FET |
Type |
A1 Journal article |
|
Year |
2020 |
Publication |
Ieee Transactions On Electron Devices |
Abbreviated Journal |
Ieee T Electron Dev |
|
|
Volume |
67 |
Issue |
8 |
Pages |
3486-3491 |
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|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
To improve the interpretation of the tunnel field-effect transistor (TFET) measurements, we theoretically identify the signatures of the ballistic band-tail (BT) tunneling (BTT) current in the transfer and output characteristics of the TFETs. In particular, we demonstrate that the temperature dependence of a BTT-dominated subthreshold swing (SS) is in agreement with the reported experimental results. We explain how the temperature dependence of the output characteristics can be used to distinguish between a current dominated by BTT and a current dominated by trap-assisted tunneling. Finally, we propose an expression that relates the energetic extension of the quasi-extended BT states in the bandgap to the onset voltage for tunneling. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000552976100072 |
Publication Date |
2020-07-03 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0018-9383 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.1 |
Times cited |
|
Open Access |
|
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|
Notes |
; This work was supported by imec's Industrial Affiliation Program. ; |
Approved |
Most recent IF: 3.1; 2020 IF: 2.605 |
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|
Call Number |
UA @ admin @ c:irua:171189 |
Serial |
6601 |
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Permanent link to this record |
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Author |
Harrabi, K.; Gasmi, K.; Mekki, A.; Bahlouli, H.; Kunwar, S.; Milošević, M.V. |
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Title |
Detection and measurement of picoseconds-pulsed laser energy using a NbTiN superconducting filament |
Type |
A1 Journal article |
|
Year |
2023 |
Publication |
IEEE transactions on applied superconductivity |
Abbreviated Journal |
|
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|
Volume |
33 |
Issue |
5 |
Pages |
2400205-5 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
investigate non-equilibrium states created by a laser beam incident on a superconducting NbTiN filament subject to an electrical pulse at 4 K. In absence of the laser excitation, when the amplitude of the current pulse applied to the filament exceeds the critical current value, we monitored the delay time td that marks the collapse of the superconducting phase which is then followed by a voltage rise. We linked the delay time to the applied current using the time-dependent Ginzburg-Landau (TDGL) theory, which enabled us to deduce the cooling (or heat-removal) time from the fit to the experimental data. Subsequently, we exposed the filament biased with a current pulse close to its critical value to a focused laser beam, inducing a normal state in the impact region of the laser beam. We showed that the energy of the incident beam and the incurred delay time are related to each other by a simple expression, that enables direct measurement of incident beam energy by temporal monitoring of the transport response. This method can be extended for usage in single-photon detection regime, and be used for accurate calibration of an arbitrary light source. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000946265900016 |
Publication Date |
2023-02-14 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1051-8223 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.8 |
Times cited |
|
Open Access |
OpenAccess |
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Notes |
|
Approved |
Most recent IF: 1.8; 2023 IF: NA |
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Call Number |
UA @ admin @ c:irua:195110 |
Serial |
7295 |
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Permanent link to this record |
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Author |
Yagmurcukardes, N.; Bayram, A.; Aydin, H.; Yagmurcukardes, M.; Acikbas, Y.; Peeters, F.M.; Celebi, C. |
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Title |
Anisotropic etching of CVD grown graphene for ammonia sensing |
Type |
A1 Journal article |
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Year |
2022 |
Publication |
IEEE sensors journal |
Abbreviated Journal |
Ieee Sens J |
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Volume |
22 |
Issue |
5 |
Pages |
3888-3895 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Bare chemical vapor deposition (CVD) grown graphene (GRP) was anisotropically etched with various etching parameters. The morphological and structural characterizations were carried out by optical microscopy and the vibrational properties substrates were obtained by Raman spectroscopy. The ammonia adsorption and desorption behavior of graphene-based sensors were recorded via quartz crystal microbalance (QCM) measurements at room temperature. The etched samples for ambient NH3 exhibited nearly 35% improvement and showed high resistance to humidity molecules when compared to bare graphene. Besides exhibiting promising sensitivity to NH3 molecules, the etched graphene-based sensors were less affected by humidity. The experimental results were collaborated by Density Functional Theory (DFT) calculations and it was shown that while water molecules fragmented into H and O, NH3 interacts weakly with EGPR2 sample which reveals the enhanced sensing ability of EGPR2. Apparently, it would be more suitable to use EGRP2 in sensing applications due to its sensitivity to NH3 molecules, its stability, and its resistance to H2O molecules in humid ambient. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000766276000010 |
Publication Date |
2022-01-24 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1530-437x; 1558-1748 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.3 |
Times cited |
2 |
Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: 4.3 |
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Call Number |
UA @ admin @ c:irua:187257 |
Serial |
7126 |
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Permanent link to this record |
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Author |
Bizindavyi, J.; Verhulst, A.S.; Smets, Q.; Verreck, D.; Sorée, B.; Groeseneken, G. |
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Title |
Band-Tails Tunneling Resolving the Theory-Experiment Discrepancy in Esaki Diodes |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
IEEE journal of the Electron Devices Society |
Abbreviated Journal |
Ieee J Electron Devi |
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Volume |
6 |
Issue |
1 |
Pages |
633-641 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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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. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
IEEE, Electron Devices Society |
Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000435505000013 |
Publication Date |
2018-05-15 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2168-6734 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.141 |
Times cited |
5 |
Open Access |
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Notes |
; J. Bizindavyi gratefully acknowledges FWO-Vlaanderen for a Strategic Basic Research PhD fellowship. ; |
Approved |
Most recent IF: 3.141 |
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Call Number |
UA @ lucian @ c:irua:152097UA @ admin @ c:irua:152097 |
Serial |
5014 |
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Permanent link to this record |
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Author |
Demirtas, M.; Odaci, C.; Perkgoz, N.K.; Sevik, C.; Ay, F. |
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Title |
Low Loss Atomic Layer Deposited Al2O3 Waveguides for Applications in On-Chip Optical Amplifiers |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
IEEE journal of selected topics in quantum electronics |
Abbreviated Journal |
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Volume |
24 |
Issue |
4 |
Pages |
3100508 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We present the growth and optimization of ultralow loss Si-based Al2O3 planar waveguides, which have a high potential to boost the performance of rare-earth ion doped waveguide devices operating at visible and C-band wavelength ranges. The planar waveguide structures are grown using thermal atomic layer deposition. Systematic characterization of the obtained thin films is performed by spectroscopic ellipsometry, X-ray diffraction, Fourier transform infrared spectroscopy, and X-ray photoelectron spectroscopy analyses, and the optimum parameters are identified. The optical loss measurements for both transverse electric (TE) and transverse magnetic polarized light at 633, 829, and 1549 nm are performed. The lowest propagation loss value of 0.04 +/- 0.02 dB/cm for the Al2O3 waveguides for TE polarization at 1549 nm is demonstrated. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000431396300001 |
Publication Date |
2018-04-18 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1077-260x |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
|
Times cited |
|
Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:193780 |
Serial |
8187 |
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Permanent link to this record |
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Author |
Brammertz, G.; Oueslati, S.; Buffiere, M.; Bekaert, J.; El Anzeery, H.; Messaoud, K.B.; Sahayaraj, S.; Nuytten, T.; Koble, C.; Meuris, M.; Poortmans, J.; |
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Title |
Investigation of properties limiting efficiency in Cu2ZnSnSe4-based solar cells |
Type |
A1 Journal article |
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Year |
2015 |
Publication |
IEEE journal of photovoltaics |
Abbreviated Journal |
Ieee J Photovolt |
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Volume |
5 |
Issue |
5 |
Pages |
649-655 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
We have investigated different nonidealities in Cu2ZnSnSe4CdSZnO solar cells with 9.7% conversion efficiency, in order to determine what is limiting the efficiency of these devices. Several nonidealities could be observed. A barrier of about 300 meV is present for electron flow at the absorberbuffer heterojunction leading to a strong crossover behavior between dark and illuminated currentvoltage curves. In addition, a barrier of about 130 meV is present at the Moabsorber contact, which could be reduced to 15 meV by inclusion of a TiN interlayer. Admittance spectroscopy results on the devices with the TiN backside contact show a defect level with an activation energy of 170 meV. Using all parameters extracted by the different characterization methods for simulations of the two-diode model including injection and recombination currents, we come to the conclusion that our devices are limited by the large recombination current in the depletion region. Potential fluctuations are present in the devices as well, but they do not seem to have a special degrading effect on the devices, besides a probable reduction in minority carrier lifetime through enhanced recombination through the band tail defects. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000353524800026 |
Publication Date |
2014-12-19 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2156-3381;2156-3403; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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|
Impact Factor |
3.712 |
Times cited |
13 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 3.712; 2015 IF: 3.165 |
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Call Number |
c:irua:123717 |
Serial |
1734 |
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Permanent link to this record |
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Author |
Toledano-Luque, M.; Matagne, P.; Sibaja-Hernandez, A.; Chiarella, T.; Ragnarsson, L.-A.; Sorée, B.; Cho, M.; Mocuta, A.; Thean, A. |
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Title |
Superior reliability of junctionless pFinFETs by reduced oxide electric field |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
IEEE electron device letters |
Abbreviated Journal |
Ieee Electr Device L |
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Volume |
35 |
Issue |
12 |
Pages |
1179-1181 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Superior reliability of junctionless (JL) compared with inversion-mode field-effect transistors (FETs) is experimentally demonstrated on bulk FinFET wafers. The reduced negative bias temperature instability (NBTI) of JL pFETs outperforms the previously reported best NBTI reliability data obtained with Si channel devices and guarantees 10-year lifetime at typical operating voltages and high temperature. This behavior is understood through the reduced oxide electric field and lessened interaction between charge carriers and oxide traps during device operation. These findings encourage the investigation of JL devices with alternative channels as a promising alternative for 7-nm technology nodes meeting reliability targets. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000345575400006 |
Publication Date |
2014-10-21 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0741-3106;1558-0563; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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|
Impact Factor |
3.048 |
Times cited |
13 |
Open Access |
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Notes |
; This work was supported by the imec's Core Partner Program. The review of this letter was arranged by Editor J. Schmitz. ; |
Approved |
Most recent IF: 3.048; 2014 IF: 2.754 |
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Call Number |
UA @ lucian @ c:irua:122192 |
Serial |
3378 |
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Permanent link to this record |
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Author |
Katti, G.; Stucchi, M.; Velenis, D.; Sorée, B.; de Meyer, K.; Dehaene, W. |
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Title |
Temperature-dependent modeling and characterization of through-silicon via capacitance |
Type |
A1 Journal article |
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Year |
2011 |
Publication |
IEEE electron device letters |
Abbreviated Journal |
Ieee Electr Device L |
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Volume |
32 |
Issue |
4 |
Pages |
563-565 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
A semianalytical model of the through-silicon via (TSV) capacitance for elevated operating temperatures is derived and verified with electrical measurements. The effect of temperature on the increase in TSV capacitance over different technology parameters is explored, and it is shown that higher oxide thickness reduces the impact of temperature rise on TSV capacitance, while with low doped substrates, which are instrumental for reducing the TSV capacitance, the sensitivity of TSV capacitance to temperature is large and cannot be ignored. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000288664800045 |
Publication Date |
2011-03-04 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0741-3106;1558-0563; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.048 |
Times cited |
27 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 3.048; 2011 IF: 2.849 |
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Call Number |
UA @ lucian @ c:irua:89402 |
Serial |
3498 |
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Permanent link to this record |
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Author |
Verreck, D.; Verhulst, A.S.; Van de Put, M.L.; Sorée, B.; Collaert, N.; Mocuta, A.; Thean, A.; Groeseneken, G. |
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Title |
Uniform strain in heterostructure tunnel field-effect transistors |
Type |
A1 Journal article |
|
Year |
2016 |
Publication |
IEEE electron device letters |
Abbreviated Journal |
Ieee Electr Device L |
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Volume |
37 |
Issue |
37 |
Pages |
337-340 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Strain can strongly impact the performance of III-V tunnel field-effect transistors (TFETs). However, previous studies on homostructure TFETs have found an increase in ON-current to be accompanied with a degradation of subthreshold swing. We perform 30-band quantum mechanical simulations of staggered heterostructure p-n-i-n TFETs submitted to uniaxial and biaxial uniform stress and find the origin of the subthreshold degradation to be a reduction of the density of states in the strained case. We apply an alternative configuration including a lowly doped pocket in the source, which allows to take full benefit of the strain-induced increase in ON-current. |
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Corporate Author |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000372372100026 |
Publication Date |
2016-01-27 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
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ISSN |
0741-3106 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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|
Impact Factor |
3.048 |
Times cited |
17 |
Open Access |
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|
|
Notes |
; This work was supported by the imec Industrial Affiliation Program. The work of D. Verreck was supported by the Agency for Innovation by Science and Technology in Flanders. The review of this letter was arranged by Editor Z. Chen. ; |
Approved |
Most recent IF: 3.048 |
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|
Call Number |
UA @ lucian @ c:irua:133207 |
Serial |
4271 |
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Permanent link to this record |
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Author |
Contino, A.; Ciofi, I.; Wu, X.; Asselberghs, I.; Celano, U.; Wilson, C.J.; Tokei, Z.; Groeseneken, G.; Sorée, B. |
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Title |
Modeling of edge scattering in graphene interconnects |
Type |
A1 Journal article |
|
Year |
2018 |
Publication |
IEEE electron device letters |
Abbreviated Journal |
Ieee Electr Device L |
|
|
Volume |
39 |
Issue |
7 |
Pages |
1085-1088 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Graphene interconnects are being considered as a promising candidate for beyond CMOS applications, thanks to the intrinsic higher carrier mobility, lower aspect ratio and better reliability with respect to conventional Cu damascene interconnects. However, similarly to Cu, line edge roughness can seriously affect graphene resistance, something which must be taken into account when evaluating the related performance benefits. In this letter, we present a model for assessing the impact of edge scattering on the resistance of graphene interconnects. Our model allows the evaluation of the total mean free path in graphene lines as a function of graphene width, diffusive scattering probability and edge roughness standard deviation and autocorrelation length. We compare our model with other models from literature by benchmarking them using the same set of experimental data. We show that, as opposed to the considered models from literature, our model is capable to describe the mobility drop with scaling caused by significantly rough edges. |
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Language |
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Wos |
000437087400041 |
Publication Date |
2018-05-07 |
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Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0741-3106 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.048 |
Times cited |
1 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 3.048 |
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Call Number |
UA @ lucian @ c:irua:152465UA @ admin @ c:irua:152465 |
Serial |
5114 |
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Permanent link to this record |
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Author |
Bizindavyi, J.; Verhulst, A.S.; Verreck, D.; Sorée, B.; Groeseneken, G. |
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Title |
Large variation in temperature dependence of band-to-band tunneling current in tunnel devices |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
IEEE electron device letters |
Abbreviated Journal |
Ieee Electr Device L |
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Volume |
40 |
Issue |
11 |
Pages |
1864-1867 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The observation of a significant temperature-dependent variation in the ${I}$ – ${V}$ characteristics of tunneling devices is often interpreted as a signature of a trap-assisted-tunneling dominated current. In this letter, we use a ballistic 2D quantum-mechanical simulator, calibrated using the measured temperature-dependent ${I}$ – ${V}$ characteristics of Esaki diodes, to demonstrate that the temperature dependence of band-to-band tunneling (BTBT) current can vary significantly in both Esaki diodes and tunnel FETs. The variation of BTBT current with temperature is impacted by doping concentration, gate voltage, possible presence of a highly-doped pocket at the tunnel junction, and material. |
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Wos |
000496192600040 |
Publication Date |
2019-09-05 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0741-3106 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.048 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 3.048 |
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Call Number |
UA @ admin @ c:irua:164636 |
Serial |
6306 |
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Permanent link to this record |
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Author |
Reijniers, J.; Partoens, B.; Steckel, J.; Peremans, H. |
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Title |
HRTF measurement by means of unsupervised head movements with respect to a single fixed speaker |
Type |
A1 Journal article |
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Year |
2020 |
Publication |
Ieee Access |
Abbreviated Journal |
Ieee Access |
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Volume |
8 |
Issue |
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Pages |
92287-92300 |
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Keywords |
A1 Journal article; Mass communications; Engineering Management (ENM); Condensed Matter Theory (CMT); Co-Design of Cyber-Physical Systems (Cosys-Lab) |
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Abstract |
In a standard state-of-the-art measurement the head-related transfer function (HRTF) is obtained in an anechoic room with an elaborate setup involving multiple calibrated loudspeakers. In search for a simplified method that would open up the possibility for an HRTF measurement in a home environment, it has been suggested that this setup could be replaced with one with a single, fixed loudspeaker. In such a setup, the subject samples different directions by moving the head with respect to this loudspeaker, while the head movements are tracked in some way. In this paper, the feasibility of such an approach is studied. To this end, the HRTF is measured in an unmodified (non-anechoic) room by means of a single external speaker and a high resolution head tracking system. The differences between the dynamically obtained HRTF and the standard static HRTF are investigated, and are shown to be mostly due to variable torso reflections. |
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Corporate Author |
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Thesis |
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Place of Publication |
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Language |
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Wos |
000539041600001 |
Publication Date |
2020-05-15 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2169-3536 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.9 |
Times cited |
4 |
Open Access |
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Notes |
; This work was supported in part by the Research Foundation Flanders (FWO) under Grant G023619N, and in part by the Agency for Innovation and Entrepreneurship (VLAIO). ; |
Approved |
Most recent IF: 3.9; 2020 IF: 3.244 |
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Call Number |
UA @ admin @ c:irua:170318 |
Serial |
6539 |
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Permanent link to this record |
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Author |
Anisimovas, E.; Peeters, F.M. |
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Title |
Few-particle states in coupled electron-hole quantum dots |
Type |
P1 Proceeding |
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Year |
2003 |
Publication |
Functions II |
Abbreviated Journal |
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Volume |
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Issue |
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Pages |
330-337 |
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Keywords |
P1 Proceeding; Condensed Matter Theory (CMT) |
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Abstract |
We apply the exact diagonalization technique to calculate the ground and excited states of a bipolar artificial molecule composed of two vertically coupled quantum dots containing different types of carriers electrons and holes in equilibrium. In this system, the magnetic field tunes the relative role of intra-dot Coulomb interaction while the inter-dot separation sets the strength of inter-dot correlations. We find an intricate pattern of the switching of the ground-state angular momentum with increasing magnetic field and a rearrangement of approximate single-particle levels as a function of the inter-dot coupling strength. |
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Corporate Author |
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Place of Publication |
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Language |
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Wos |
000229502400029 |
Publication Date |
2007-11-07 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
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ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ lucian @ c:irua:103838 |
Serial |
1186 |
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Permanent link to this record |
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Author |
Verberck, B.; Cambedouzou, J.; Vliegenthart, G.A.; Gompper, G.; Launois, P. |
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Title |
Monte Carlo studies of C60- and C70-peapods |
Type |
A1 Journal article |
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Year |
2012 |
Publication |
Fullerenes, nanotubes, and carbon nanostructures |
Abbreviated Journal |
Fuller Nanotub Car N |
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Volume |
20 |
Issue |
4/7 |
Pages |
371-377 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
We present results of Monte Carlo simulations of chains of C-60 and chains of C-70 molecules encapsulated in a single-walled carbon nanotube (SWCNT). We observe the changes in the configuration of the fullerene molecules when varying tube radius and temperature. In particular, the evolution of the pair correlation functions reveal a transition from linear harmonic chain behavior to a hard-sphere liquid upon heating, demonstrating the possibility of tuning properties of C-60- and C-70@SWCNT peapods with radius and temperature. |
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Place of Publication |
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Language |
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Wos |
000304297500015 |
Publication Date |
2012-05-14 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1536-383X;1536-4046; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.35 |
Times cited |
1 |
Open Access |
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Notes |
; Helpful discussions with K. H. Michel, P.-A. Albouy and C. Bousige are gratefully acknowledged. This work was financially supported by the Research Foundation-Flanders (FWO-Vl). ; |
Approved |
Most recent IF: 1.35; 2012 IF: 0.764 |
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Call Number |
UA @ lucian @ c:irua:99003 |
Serial |
2200 |
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Permanent link to this record |
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Author |
Verberck, B.; Michel, K.H.; Nikolaev, A.V. |
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Title |
The C60 molecules in (C60)N@SWCNT peapods: crystal field, intermolecular interactions and dynamics |
Type |
A1 Journal article |
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Year |
2006 |
Publication |
Fullerenes, nanotubes, and carbon nanostructures |
Abbreviated Journal |
Fuller Nanotub Car N |
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Volume |
14 |
Issue |
2/3 |
Pages |
171-178 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000238762900006 |
Publication Date |
2006-06-08 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1536-383X;1536-4046; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.35 |
Times cited |
10 |
Open Access |
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Notes |
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Approved |
Most recent IF: 1.35; 2006 IF: 0.462 |
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Call Number |
UA @ lucian @ c:irua:60025 |
Serial |
3518 |
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Permanent link to this record |
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Author |
Tarakina, N.V.; Verberck, B. |
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Title |
Tubular fullerenes in carbon nanotubes |
Type |
A1 Journal article |
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Year |
2012 |
Publication |
Fullerenes, nanotubes, and carbon nanostructures |
Abbreviated Journal |
Fuller Nanotub Car N |
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Volume |
20 |
Issue |
4-7 |
Pages |
538-542 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
We investigate the optimal orientations and positions of tubular fullerene molecules C-70, C-80 and C-90 encapsulated in single-walled carbon nanotubes (SWCNTs). We find that increasing the tube radius leads to the following succession of energetically stable regimes: 1) lying molecules positioned on the tube's long axis, 2) tilted molecules on the tube's long axis and 3) lying molecules shifted away from the tube's long axis. In the case of C-70 and C-80 molecules, standing on-axis configurations also occur. Our findings are relevant for the possible application of molecular-orientation-dependent electronic properties of fullerene nanopeapods. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Wos |
000304297500045 |
Publication Date |
2012-05-14 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1536-383X;1536-4046; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.35 |
Times cited |
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Open Access |
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Notes |
; This work was financially supported by the Research Foundation – Flanders (FWO-Vl). B. V. is a Postdoctoral Fellow of the Research Foundation-Flanders (FWO-Vl). ; |
Approved |
Most recent IF: 1.35; 2012 IF: 0.764 |
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Call Number |
UA @ lucian @ c:irua:99004 |
Serial |
3737 |
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Permanent link to this record |
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Author |
Verberck, B.; Heresanu, V.; Rouziere, S.; Cambedouzou, J.; Launois, P.; Kovats, E.; Pekker, S.; Vliegenthart, G.A.; Michel, K.H.; Gompper, G. |
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Title |
Fullerene-cubane : X-ray scattering experiments and Monte Carlo simulations |
Type |
A1 Journal article |
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Year |
2008 |
Publication |
Fullerenes, nanotubes, and carbon nanostructures
T2 – 8th Biennial International Workshop on Fullerenes and Atomic Clusters, (IWFAC 2007), JUL 02-06, 2007, St Petersburg, RUSSIA |
Abbreviated Journal |
Fuller Nanotub Car N |
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Volume |
16 |
Issue |
5-6 |
Pages |
293-300 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
We report single-crystal X-ray diffuse scattering measurements on C-60.C8H8 fullerene-cubane showing that the C-60 molecules are orientationally disordered at 300 and 150K and get ordered at low temperatures. Monte Carlo simulations provide further insight in the orientational behavior of both C-60 and C8H8 molecules; low-temperature molecular orientations are predicted. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Wos |
000259645200003 |
Publication Date |
2008-09-28 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1536-383X;1536-4046; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.35 |
Times cited |
6 |
Open Access |
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Notes |
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Approved |
Most recent IF: 1.35; 2008 IF: 0.680 |
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Call Number |
UA @ lucian @ c:irua:102640 |
Serial |
1295 |
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Permanent link to this record |
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Author |
Verberck, B.; Nikolaev, A.V.; Michel, K.H. |
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Title |
Theoretical model for the structural phase transition and the metal-insulator transition in polymerized KC60 |
Type |
A1 Journal article |
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Year |
2004 |
Publication |
Fullerenes, nanotubes, and carbon nanostructures
T2 – 6th Biennial International Workshop on Fullerenes and Atomic Clusters, JUN 30-JUL 04, 2003, St Petersburg, RUSSIA |
Abbreviated Journal |
Fuller Nanotub Car N |
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Volume |
12 |
Issue |
1-2 |
Pages |
243-252 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
The recently discovered structural phase transition in Polymerized KC60 at about 50K leads to a doubling of the unit cell volume and is accompanied by a metal-insulator transition. Here, we show that the ((a) over right arrow + (c) over right arrow, (b) over right arrow, (a) over right arrow – (c) over right arrow) superstructure results from orientational charge density waves along the polymer chains and correlated displacements of the K+ ions. The presented model can also account for the metal-insulator transition. The effect is specific for the space group Pmnn of KC60 and is absent in both Rb- and CsC60 (space group 12/m), in agreement with the present experimental knowledge of these compounds. |
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Place of Publication |
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Language |
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Wos |
000220551600040 |
Publication Date |
2004-03-15 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1536-383X;1536-4046; |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
1.35 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 1.35; 2004 IF: 1.117 |
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Call Number |
UA @ lucian @ c:irua:103259 |
Serial |
3607 |
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Permanent link to this record |