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Author |
Sevik, C.; Bekaert, J.; Milošević, M.V. |
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Title |
Superconductivity in functionalized niobium-carbide MXenes |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Nanoscale |
Abbreviated Journal |
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Volume |
15 |
Issue |
19 |
Pages |
8792-8799 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract  |
We detail the effects of Cl and S functionalization on the superconducting properties of layered (bulk) and monolayer niobium carbide (Nb2C) MXene crystals, based on first-principles calculations combined with Eliashberg theory. For bulk layered Nb2CCl2, the calculated superconducting transition temperature (T-c) is in very good agreement with the recently measured value of 6 K. We show that T-c is enhanced to 10 K for monolayer Nb2CCl2, due to an increase in the density of states at the Fermi level, and the corresponding electron-phonon coupling. We further demonstrate feasible gate- and strain-induced enhancements of T-c for both bulk-layered and monolayer Nb2CCl2 crystals, resulting in T-c values of around 38 K. In the S-functionalized Nb2CCl2 crystals, our calculations reveal the importance of phonon softening in understanding their superconducting properties. Finally, we predict that Nb3C2S2 in bulk-layered and monolayer forms is also superconducting, with a T-c of around 28 K. Considering that Nb2C is not superconducting in pristine form, our findings promote functionalization as a pathway towards robust superconductivity in MXenes. |
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Wos |
000976973900001 |
Publication Date |
2023-04-11 |
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Abbreviated Series Title |
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Series Issue |
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Edition |
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ISSN |
2040-3364; 2040-3372 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
6.7 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 6.7; 2023 IF: 7.367 |
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Call Number |
UA @ admin @ c:irua:196711 |
Serial |
8938 |
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Author |
Bekaert, J.; Bringmans, L.; Milošević, M.V. |
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Title |
Ginzburg-Landau surface energy of multiband superconductors : derivation and application to selected systems |
Type |
A1 Journal article |
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Year |
2023 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
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Volume |
35 |
Issue |
32 |
Pages |
325602-325610 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We determine the energy of an interface between a multiband superconducting and a normal half-space, in presence of an applied magnetic field, based on a multiband Ginzburg-Landau (GL) approach. We obtain that the multiband surface energy is fully determined by the critical temperature, electronic densities of states, and superconducting gap functions associated with the different band condensates. This furthermore yields an expression for the thermodynamic critical magnetic field, in presence of an arbitrary number of contributing bands. Subsequently, we investigate the sign of the surface energy as a function of material parameters, through numerical solution of the GL equations. Here, we consider two distinct cases: (i) standard multiband superconductors with attractive interactions, and (ii) a three-band superconductor with a chiral ground state with phase frustration, arising from repulsive interband interactions. Furthermore, we apply this approach to several prime examples of multiband superconductors, such as metallic hydrogen and MgB2, based on microscopic parameters obtained from first-principles calculations. |
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Wos |
000986281900001 |
Publication Date |
2023-05-03 |
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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 |
0953-8984 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
2.7 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 2.7; 2023 IF: 2.649 |
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Call Number |
UA @ admin @ c:irua:196664 |
Serial |
8875 |
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Author |
Vandenberghe, W.G.; Verhulst, A.S.; Kao, K.-H.; De Meyer, K.; Sorée, B.; Magnus, W.; Groeseneken, G. |
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Title |
A model determining optimal doping concentration and material's band gap of tunnel field-effect transistors |
Type |
A1 Journal article |
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Year |
2012 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
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Volume |
100 |
Issue |
19 |
Pages |
193509-193509,4 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We develop a model for the tunnel field-effect transistor (TFET) based on the Wentzel-Kramer-Brillouin approximation which improves over existing semi-classical models employing generation rates. We hereby introduce the concept of a characteristic tunneling length in direct semiconductors. Based on the model, we show that a limited density of states results in an optimal doping concentration as well as an optimal material's band gap to obtain the highest TFET on-current at a given supply voltage. The observed optimal-doping trend is confirmed by 2-dimensional quantum-mechanical simulations for silicon and germanium. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4714544] |
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Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
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Language |
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Wos |
000304108000098 |
Publication Date |
2012-05-12 |
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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 |
0003-6951; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.411 |
Times cited |
25 |
Open Access |
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Notes |
; William Vandenberghe gratefully acknowledges the support of a Ph.D. stipend from the Institute for the Promotion of Innovation through Science and Technology in Flanders (IWT-Vlaanderen). This work was supported by IMEC's Industrial Affiliation Program. ; |
Approved |
Most recent IF: 3.411; 2012 IF: 3.794 |
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Call Number |
UA @ lucian @ c:irua:98948 |
Serial |
2105 |
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Author |
Shumilin, A.V.; Baranov, V.V.; Kabanov, V.V. |
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Title |
Upper critical field in the model with finite-range interaction between electrons |
Type |
A1 Journal article |
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Year |
2016 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
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Volume |
94 |
Issue |
94 |
Pages |
174506 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We develop a theory of the upper critical field in a BCS superconductor with a nonlocal interaction between electrons. We have shown that the nonlocal interaction is characterized by the parameter k(F)rho(0), where k(F) is the Fermi momentum and rho(0) is the radius of electron-electron interaction. The presence of the external magnetic field leads to the generation of additional components of the order parameter with different angular momenta. This effect leads to the enhancement of the upper critical field above the orbital limiting field. In addition the upward curvature in the temperature dependence of H-c2 (T) in the clean limit is predicted. The impurity scattering suppresses the effect in the dirty limit. |
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Wos |
000387884100005 |
Publication Date |
2016-11-14 |
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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 |
2469-9950;2469-9969; |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
3.836 |
Times cited |
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Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 3.836 |
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Call Number |
UA @ lucian @ c:irua:139166 |
Serial |
4365 |
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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 |
Modeling the impact of junction angles in tunnel field-effect transistors |
Type |
A1 Journal article |
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Year |
2012 |
Publication |
Solid state electronics |
Abbreviated Journal |
Solid State Electron |
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Volume |
69 |
Issue |
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Pages |
31-37 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We develop an analytical model for a tunnel field-effect transistor (TFET) with a tilted source junction angle. The tunnel current is derived by using circular tunnel paths along the electric field. The analytical model predicts that a smaller junction angle improves the TFET performance, which is supported by device simulations. An analysis is also made based on straight tunnel paths and tunnel paths corresponding to the trajectory of a classical particle. In all the aforementioned cases, the same conclusions are obtained. A TFET configuration with an encroaching polygon source junction is studied to analyze the junction angle dependence at the smallest junction angles. The improvement of the subthreshold swing (SS) with decreasing junction angle can be achieved by using thinner effective oxide thickness, smaller band gap material and longer encroaching length of the encroaching junction. A TFET with a smaller junction angle on the source side also has an innate immunity against the degradation of the fringing field from the gate electrode via a high-k spacer. A large junction angle on the drain side can suppress the unwanted ambipolar current of TFETs. (c) 2011 Elsevier Ltd. All rights reserved. |
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Place of Publication |
Oxford |
Editor |
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Wos |
000301561600009 |
Publication Date |
2012-01-16 |
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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 |
0038-1101; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.58 |
Times cited |
9 |
Open Access |
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Notes |
; We acknowledge the input on nanowire processing of Rita Rooyackers and useful discussions with Wim Magnus. William Vandenberghe gratefully acknowledges the support of a Ph.D. stipend from the Institute for the Promotion of Innovation through Science and Technology in Flanders (IWT-Vlaanderen). This work was also supported by imec's Industrial Affiliation Program. ; |
Approved |
Most recent IF: 1.58; 2012 IF: 1.482 |
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Call Number |
UA @ lucian @ c:irua:97816 |
Serial |
2145 |
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Author |
Michiels, R.; Engelmann, Y.; Bogaerts, A. |
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Title |
Plasma Catalysis for CO2Hydrogenation: Unlocking New Pathways toward CH3OH |
Type |
A1 Journal article |
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Year |
2020 |
Publication |
Journal Of Physical Chemistry C |
Abbreviated Journal |
J Phys Chem C |
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Volume |
124 |
Issue |
47 |
Pages |
25859-25872 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Movement Antwerp (MOVANT) |
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Abstract |
We developed a microkinetic model to reveal the effects of plasma-generated radicals, intermediates, and vibrationally excited species on the catalytic hydrogenation of CO2 to CH3OH on a Cu(111) surface. As a benchmark, we first present the mechanisms of thermal catalytic CH3OH formation. Our model predicts that the reverse water-gas shift reaction followed by CO hydrogenation, together with the formate path, mainly contribute to CH3OH formation in thermal catalysis. Adding plasma-generated radicals and intermediates results in a higher CH3OH turnover frequency (TOF) by six to seven orders of magnitude, showing the potential of plasma-catalytic CO2 hydrogenation into CH3OH, in accordance with the literature. In addition, CO2 vibrational excitation further increases the CH3OH TOF, but the effect is limited due to relatively low vibrational temperatures under typical plasma catalysis conditions. The predicted increase in CH3OH formation by plasma catalysis is mainly attributed to the increased importance of the formate path. In addition, the conversion of plasma-generated CO to HCO* and subsequent HCOO* or H2CO* formation contribute to CH3OH formation. Both pathways bypass the HCOO* formation from CO2, which is the main bottleneck in the process. Hence, our model points toward the important role of CO, but also O, OH, and H radicals, as they influence the reactions that consume CO2 and CO. In addition, our model reveals that the H pressure should not be smaller than ca. half of the O pressure in the plasma as this would cause O* poisoning, which would result in very small product TOFs. Thus, plasma conditions should be targeted with a high CO and H content as this is favorable for CH3OH formation, while the O content should be minimized. |
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Corporate Author |
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Wos |
000595545800023 |
Publication Date |
2020-11-25 |
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Series Editor |
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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 |
1932-7447 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.7 |
Times cited |
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Open Access |
Not_Open_Access: Available from 15.07.2021 |
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Notes |
Universiteit Antwerpen; Fonds Wetenschappelijk Onderzoek, 1114921N ; H2020 European Research Council, 810182 ; We acknowledge the financial support from the Fund for Scientific Research (FWO-Vlaanderen; grant ID 1114921N) and from the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation programme (grant agreement no. 810182 − SCOPE ERC Synergy project) as well as from the DOC-PRO3 and the TOPBOF projects of the University of Antwerp. |
Approved |
Most recent IF: 3.7; 2020 IF: 4.536 |
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Call Number |
PLASMANT @ plasmant @c:irua:173864 |
Serial |
6443 |
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Author |
Krstajic, P.M.; Ivanov, V.A.; Peeters, F.M.; Fleurov, V.; Kikoin, K. |
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Title |
Ferromagnetism in Mn-doped GaAs : the kinematic exchange |
Type |
A1 Journal article |
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Year |
2003 |
Publication |
Journal of superconductivity
T2 – PASPS Conference 2002, JUL, 2002, WURZBURG, GERMANY |
Abbreviated Journal |
J Supercond |
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Volume |
16 |
Issue |
1 |
Pages |
111-113 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We developed a microscopic model in order to describe the onset of ferromagnetism (FM) in GaAs:Mn. The proposed kinematic mechanism bears resemblances with the Zener exchange. The calculated Curie temperature for GaAs: Mn is in good agreement with available experimental data of the Curie temperature as a function of the manganese concentration. |
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Place of Publication |
New York, N.Y. |
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Wos |
000182060400027 |
Publication Date |
2003-06-06 |
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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 |
0896-1107; |
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 |
2 |
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:103314 |
Serial |
1183 |
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Author |
Van Turnhout, J.; Aceto, D.; Travert, A.; Bazin, P.; Thibault-Starzyk, F.; Bogaerts, A.; Azzolina-Jury, F. |
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Title |
Observation of surface species in plasma-catalytic dry reforming of methane in a novel atmospheric pressure dielectric barrier discharge in situ IR cell |
Type |
A1 Journal article |
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Year |
2022 |
Publication |
Catalysis Science & Technology |
Abbreviated Journal |
Catal Sci Technol |
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Volume |
12 |
Issue |
22 |
Pages |
6676-6686 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
We developed a novel in situ (i.e. inside plasma and during operation) IR dielectric barrier discharge cell allowing investigation of plasma catalysis in transmission mode, atmospheric pressure, flow conditions (WHSV similar to 0-50 000 mL g(-1) h(-1)), at relevant discharge voltages (similar to 0-50 kV) and frequencies (similar to 0-5 kHz). We applied it to study the IR-active surface species formed on a SiO2 support and on a 3 wt% Ru/SiO2 catalyst, which can help to reveal the important surface reaction mechanisms during the plasma-catalytic dry reforming of methane (DRM). Moreover, we present a technique for the challenging task of estimating the temperature of a catalyst sample in a plasma-catalytic system in situ and during plasma operation. We found that during the reaction, water is immediately formed at the SiO2 surface, and physisorbed formic acid is formed with a delay. As Ru/SiO2 is subject to greater plasma-induced heating than SiO2 (with a surface temperature increase in the range of 70-120 degrees C, with peaks up to 150 degrees C), we observe lower amounts of physisorbed water on Ru/SiO2, and less physisorbed formic acid formation. Importantly, the formation of surface species on the catalyst sample in our plasma-catalytic setup, as well as the observed conversions and selectivities in plasma conditions, can not be explained by plasma-induced heating of the catalyst surface, but must be attributed to other plasma effects, such as the adsorption of plasma-generated radicals and molecules, or the occurrence of Eley-Rideal reactions. |
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Place of Publication |
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Wos |
000865542600001 |
Publication Date |
2022-10-05 |
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Series Editor |
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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 |
2044-4753; 2044-4761 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
5 |
Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: 5 |
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Call Number |
UA @ admin @ c:irua:191389 |
Serial |
7185 |
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Author |
Rather, J.A.; Pilehvar, S.; De Wael, K. |
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Title |
Polycyclodextrin and carbon nanotubes as composite for tyrosinase immobilization and its superior electrocatalytic activity towards butylparaben an endocrine disruptor |
Type |
A1 Journal article |
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Year |
2015 |
Publication |
Journal of nanoscience and nanotechnology |
Abbreviated Journal |
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Volume |
15 |
Issue |
5 |
Pages |
3365-3372 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
We developed a protocol for the immobilization of tyrosinase (Tyr) on the composite of polycyclodextrin polymer (CDP) and carbon nanotubes for the detection of an endocrine disruptor, i.e., butylparaben (BP). The formation of the CDP polymer was characterized by UV-Vis spectrophotometry. The conducting film of cross-linked CDP and carbon nanotubes, displays excellent matrix capabilities for Tyr immobilization. The host-guest chemical reaction ability of CD and the ππ stacking interaction assure the bioactivity of Tyr towards butylparaben. The developed biosensor was characterized electrochemically by electrochemical impedance spectroscopy. The enzyme-substrate kinetic parameters such as the apparent Michaelis-Menten constant (K M app) was measured under saturated substrate concentration. The determination of butylparaben was carried out by using square wave voltammetry over the concentration range of 2.1 to 35.4 μM with a detection limit of 0.1 μM. The fabricated biosensor was successfully applied in real-life cosmetic samples with good recovery ranging from 98.5 to 102.8%. |
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Wos |
000347435200007 |
Publication Date |
2014-10-01 |
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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 |
1533-4899 |
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 |
3 |
Open Access |
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Notes |
; The authors are highly thankful for the mobility grant (Non-Europe Postdoc Fellowship) for one of the author (Jahangir Ahmad Rather) supported by the Belgian Federal Science Policy (Belspo) co-funded by the Marie Curie Actions from the European Commission. Sanaz Pilehvar is funded by BOF-DOCPRO UA. ; |
Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:119550 |
Serial |
5776 |
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Author |
Djotyan, A.P.; Avetisyan, A.A.; Hao, Y.L.; Peeters, F.M. |
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Title |
Shallow donor near a semiconductor surface in the presence of locally spherical scanning tunneling microscope tip |
Type |
P1 Proceeding |
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Year |
2012 |
Publication |
Proceedings of the Society of Photo-optical Instrumentation Engineers
T2 – Conference on Photonics and Micro and Nano-structured Materials, JUN 28-30, 2011, Yerevan, ARMENIA |
Abbreviated Journal |
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Volume |
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Issue |
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Pages |
84140-84148 |
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Keywords |
P1 Proceeding; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
We developed a variational approach to investigate the ground state energy and the extend of the wavefunction of a neutral donor located near a semiconductor surface in the presence of scanning tunneling microscope (STM) metallic tip. We apply the effective mass approximation and use a variational wavefunction that takes into account the influence of all image charges that arise due to the presence of a metallic tip. The behavior of the ground state energy when the tip approaches the semiconductor surface is investigated. |
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Corporate Author |
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Place of Publication |
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Language |
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Wos |
000303856600020 |
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 |
8414 |
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 |
; This work was supported by the Flemish Science Foundation (FWO-Vl), and the Belgian Science Policy. One of us (AAA) was supported by a fellowship from the Belgian Federal Science Policy Office (Belspo). ; |
Approved |
Most recent IF: NA |
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Call Number |
UA @ lucian @ c:irua:113047 |
Serial |
2987 |
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Author |
Callewaert, V.; Saniz, R.; Barbiellini, B.; Bansil, A.; Partoens, B. |
|
| |
Title |
Application of the weighted-density approximation to the accurate description of electron-positron correlation effects in materials |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
|
| |
Volume |
96 |
Issue |
8 |
Pages |
085135 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
We discuss positron-annihilation lifetimes for a set of illustrative bulk materials within the framework of the weighted-density approximation (WDA). The WDA can correctly describe electron-positron correlations in strongly inhomogeneous systems, such as surfaces, where the applicability of (semi-)local approximations is limited. We analyze the WDA in detail and show that the electrons which cannot screen external charges efficiently, such as the core electrons, cannot be treated accurately via the pair correlation of the homogeneous electron gas. We discuss how this problem can be addressed by reducing the screening in the homogeneous electron gas by adding terms depending on the gradient of the electron density. Further improvements are obtained when core electrons are treated within the LDA and the valence electron using the WDA. Finally, we discuss a semiempirical WDA-based approach in which a sum rule is imposed to reproduce the experimental lifetimes. |
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| |
Address |
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| |
Corporate Author |
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Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
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|
| |
Language |
|
Wos |
000408342600003 |
Publication Date |
2017-08-24 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.836 |
Times cited |
6 |
Open Access |
|
|
| |
Notes |
Fonds Wetenschappelijk Onderzoek, G. 0224.14N ; U.S. Department of Energy, DE-FG02-07ER46352 DE-AC02-05CH11231 DE-SC0012575 ; |
Approved |
Most recent IF: 3.836 |
|
| |
Call Number |
CMT @ cmt @c:irua:145703 |
Serial |
4703 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Schattschneider, P.; Löffler, S.; Stöger-Pollach, M.; Verbeeck, J. |
|
| |
Title |
Is magnetic chiral dichroism feasible with electron vortices? |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
Ultramicroscopy |
Abbreviated Journal |
Ultramicroscopy |
|
| |
Volume |
136 |
Issue |
|
Pages |
81-85 |
|
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
| |
Abstract |
We discuss the feasibility of detecting magnetic transitions with focused electron vortex probes, suggested by selection rules for the magnetic quantum number. We theoretically estimate the dichroic signal strength in the L2,3 edge of ferromagnetic d metals. It is shown that under realistic conditions, the dichroic signal is undetectable for nanoparticles larger than View the MathML source. This is confirmed by a key experiment with nanometer-sized vortices. |
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| |
Address |
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| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
|
| |
Language |
|
Wos |
000327884700011 |
Publication Date |
2013-07-26 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0304-3991; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
2.843 |
Times cited |
64 |
Open Access |
|
|
| |
Notes |
Countatoms; Vortex; Esteem2; esteem2jra3 ECASJO; |
Approved |
Most recent IF: 2.843; 2014 IF: 2.436 |
|
| |
Call Number |
UA @ lucian @ c:irua:110952UA @ admin @ c:irua:110952 |
Serial |
1750 |
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| Permanent link to this record |
| |
|
| |
|
Author |
Adelmann, C.; Sankaran, K.; Dutta, S.; Gupta, A.; Kundu, S.; Jamieson, G.; Moors, K.; Pinna, N.; Ciofi, I.; Van Elshocht, S.; Bommels, J.; Boccardi, G.; Wilson, C.J.; Pourtois, G.; Tokei, Z. |
|
| |
Title |
Alternative Metals: from ab initio Screening to Calibrated Narrow Line Models |
Type |
P1 Proceeding |
| |
Year |
2018 |
Publication |
Proceedings of the IEEE ... International Interconnect Technology Conference
T2 – IEEE International Interconnect Technology Conference (IITC), JUN 04-07, 2018, Santa Clara, CA |
Abbreviated Journal |
|
|
| |
Volume |
|
Issue |
|
Pages |
154-156 |
|
| |
Keywords |
P1 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
| |
Abstract |
We discuss the selection and assessment of alternative metals by a combination of ab initio computation of electronic properties, experimental resistivity assessments, and calibrated line resistance models. Pt-group metals as well as Nb are identified as the most promising elements, with Ru showing the best combination of material properties and process maturity. An experimental assessment of the resistivity of Ru, Ir, and Co lines down to similar to 30 nm(2) is then used to devise compact models for line and via resistance that can be compared to Cu predictions. The main advantage of alternative metals originates from the possibility for barrierless metallization. |
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| |
Address |
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| |
Corporate Author |
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Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
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|
| |
Language |
|
Wos |
000468672900051 |
Publication Date |
2018-09-06 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
978-1-5386-4337-2; 978-1-5386-4337-2 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
|
Times cited |
|
Open Access |
|
|
| |
Notes |
|
Approved |
no |
|
| |
Call Number |
UA @ admin @ c:irua:160473 |
Serial |
7436 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Adelmann, C.; Wen, L.G.; Peter, A.P.; Pourtois, G.; et al. |
|
| |
Title |
Alternative metals for advanced interconnects |
Type |
P1 Proceeding |
| |
Year |
2014 |
Publication |
2014 Ieee International Interconnect Technology Conference / Advanced Metallization Conference (iitc/amc) |
Abbreviated Journal |
|
|
| |
Volume |
|
Issue |
|
Pages |
173-175 |
|
| |
Keywords |
P1 Proceeding; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
| |
Abstract |
We discuss the selection criteria for alternative metals in order to fulfill the requirements necessary for interconnects at half pitch values below 10 nm. The performance of scaled interconnects using transition metal germanides and CoAl alloys as metallization are studied and compared to conventional Cu and W interconnects. |
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| |
Address |
|
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| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
Ieee |
Place of Publication |
New york |
Editor |
|
|
| |
Language |
|
Wos |
|
Publication Date |
0000-00-00 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
978-1-4799-5018-8 |
ISBN |
|
Additional Links |
UA library record; WoS full record; |
|
| |
Impact Factor |
|
Times cited |
|
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: NA |
|
| |
Call Number |
UA @ lucian @ c:irua:127033 |
Serial |
91 |
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| Permanent link to this record |
| |
|
| |
|
Author |
Elliott, J.A.; Shibuta, Y.; Amara, H.; Bichara, C.; Neyts, E.C. |
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| |
Title |
Atomistic modelling of CVD synthesis of carbon nanotubes and graphene |
Type |
A1 Journal article |
| |
Year |
2013 |
Publication |
Nanoscale |
Abbreviated Journal |
Nanoscale |
|
| |
Volume |
5 |
Issue |
15 |
Pages |
6662-6676 |
|
| |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
| |
Abstract |
We discuss the synthesis of carbon nanotubes (CNTs) and graphene by catalytic chemical vapour deposition (CCVD) and plasma-enhanced CVD (PECVD), summarising the state-of-the-art understanding of mechanisms controlling their growth rate, chiral angle, number of layers (walls), diameter, length and quality (defects), before presenting a new model for 2D nucleation of a graphene sheet from amorphous carbon on a nickel surface. Although many groups have modelled this process using a variety of techniques, we ask whether there are any complementary ideas emerging from the different proposed growth mechanisms, and whether different modelling techniques can give the same answers for a given mechanism. Subsequently, by comparing the results of tight-binding, semi-empirical molecular orbital theory and reactive bond order force field calculations, we demonstrate that graphene on crystalline Ni(111) is thermodynamically stable with respect to the corresponding amorphous metal and carbon structures. Finally, we show in principle how a complementary heterogeneous nucleation step may play a key role in the transformation from amorphous carbon to graphene on the metal surface. We conclude that achieving the conditions under which this complementary crystallisation process can occur may be a promising method to gain better control over the growth processes of both graphene from flat metal surfaces and CNTs from catalyst nanoparticles. |
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Address |
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Corporate Author |
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Thesis |
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| |
Publisher |
|
Place of Publication |
Cambridge |
Editor |
|
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| |
Language |
|
Wos |
000321675600003 |
Publication Date |
2013-06-06 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
2040-3364;2040-3372; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
7.367 |
Times cited |
52 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 7.367; 2013 IF: 6.739 |
|
| |
Call Number |
UA @ lucian @ c:irua:109231 |
Serial |
200 |
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| Permanent link to this record |
| |
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| |
|
Author |
Scipioni, R.; Matsubara, M.; Ruiz, E.; Massobrio, C.; Boero, M. |
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| |
Title |
Thermal behavior of Si-doped fullerenes vs their structural stability at T = 0 K : a density functional study |
Type |
A1 Journal article |
| |
Year |
2011 |
Publication |
Chemical physics letters |
Abbreviated Journal |
Chem Phys Lett |
|
| |
Volume |
510 |
Issue |
1/3 |
Pages |
14-17 |
|
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
| |
Abstract |
We establish the topological conditions underlying the thermal stability of C30Si30 clusters. Two topologies have been considered: a segregated one, where Si and C atoms lie on neighboring and yet, separated parts of the cage, and a non-segregated one, where the number of SiC bonds is maximized. The segregated network is energetically favored against the non-segregated one, both structures being fully relaxed at T = 0 K. Conversely, the non-segregated structure is the only one stable at finite temperatures, regardless of the nature of the local states (d or p) included in the KleynmanBylander construction. |
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| |
Address |
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| |
Corporate Author |
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Thesis |
|
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| |
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
|
| |
Language |
|
Wos |
000291478400002 |
Publication Date |
2011-05-20 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0009-2614; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
1.815 |
Times cited |
14 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 1.815; 2011 IF: 2.337 |
|
| |
Call Number |
UA @ lucian @ c:irua:90453 |
Serial |
3625 |
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| Permanent link to this record |
| |
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| |
|
Author |
Peeters, L.; Schreurs, E.; Van Passel, S. |
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| |
Title |
Heterogeneous impact of soil contamination on farmland prices in the Belgian Campine region : evidence from unconditional quantile regressions |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Environmental & Resource Economics |
Abbreviated Journal |
Environ Resour Econ |
|
| |
Volume |
66 |
Issue |
1 |
Pages |
135-168 |
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| |
Keywords |
A1 Journal article; Economics; Engineering Management (ENM) |
|
| |
Abstract |
We estimate a hedonic-pricing model using geo-coded farmland-transaction data from the Campine region, situated in the north-east of Belgium. Unlike previous hedonic studies, we use the method of unconditional quantile regression (Firpo et al., in Econometrica 77(3):953973, 2009). An important advantage of this new method over the traditional conditional quantile regression (Koenker and Bassett, in Econometrica 46(1):3350, 1978) is that it allows for the estimation of potentially heterogeneous effects of cadmium pollution along the entire (unconditional) distribution of farmland prices. Using a threshold specification of the hedonic-pricing model, we find evidence of a U-shaped valuation pattern, where cadmium pollution of the soil has a negative and significant impact on prices only in the middle range of the distribution, insofar as cadmium concentrations are above the regulatory standard of 2 parts per million for agricultural land. Results obtained from a probit model to classify land plots into different price segments further suggest that the heterogeneous impact of soil pollution on price can be directly related to the variety of amenities that farmland provides. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
|
Editor |
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| |
Language |
|
Wos |
000391511800007 |
Publication Date |
2015-08-03 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0924-6460 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
1.582 |
Times cited |
4 |
Open Access |
|
|
| |
Notes |
; ; |
Approved |
Most recent IF: 1.582 |
|
| |
Call Number |
UA @ admin @ c:irua:139029 |
Serial |
6208 |
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| Permanent link to this record |
| |
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| |
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Author |
Van Boxem, W.; Van der Paal, J.; Gorbanev, Y.; Vanuytsel, S.; Smits, E.; Dewilde, S.; Bogaerts, A. |
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| |
Title |
Anti-cancer capacity of plasma-treated PBS: effect of chemical composition on cancer cell cytotoxicity |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Scientific reports |
Abbreviated Journal |
Sci Rep-Uk |
|
| |
Volume |
7 |
Issue |
1 |
Pages |
16478 |
|
| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
| |
Abstract |
We evaluate the anti-cancer capacity of plasma-treated PBS (pPBS), by measuring the concentrations of NO2 − and H2O2 in pPBS, treated with a plasma jet, for different values of gas flow rate, gap and plasma treatment time, as well as the effect of pPBS on cancer cell cytotoxicity, for three different glioblastoma cancer cell lines, at exactly the same plasma treatment conditions. Our experiments reveal that pPBS is cytotoxic for all conditions investigated. A small variation in gap between plasma jet and liquid surface (10 mm vs 15 mm) significantly affects the chemical composition of pPBS and its anti-cancer capacity, attributed to the occurrence of discharges onto the liquid. By correlating the effect of gap, gas flow rate and plasma treatment time on the chemical composition and anti-cancer capacity of pPBS, we may conclude that H2O2 is a more important species for the anti-cancer capacity of pPBS than NO2 −. We also used a 0D model, developed for plasma-liquid interactions, to elucidate the most important mechanisms for the generation of H2O2 and NO2 −. Finally, we found that pPBS might be more suitable for practical applications in a clinical setting than (commonly used) plasma-activated media (PAM), because of its higher stability. |
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| |
Address |
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Corporate Author |
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Thesis |
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| |
Publisher |
|
Place of Publication |
|
Editor |
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| |
Language |
|
Wos |
000416398100028 |
Publication Date |
2017-11-22 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
2045-2322 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
4.259 |
Times cited |
40 |
Open Access |
OpenAccess |
|
| |
Notes |
We acknowledge financial support from the Fund for Scientific Research (FWO) Flanders (Grant No. 11U5416N), the Research Council of the University of Antwerp and the European Marie Skłodowska-Curie Individual Fellowship “LTPAM” within Horizon2020 (Grant No. 743151). Finally, we would like to thank P. Attri and A. Privat Maldonado for the valuable discussions. |
Approved |
Most recent IF: 4.259 |
|
| |
Call Number |
PLASMANT @ plasmant @c:irua:147192 |
Serial |
4766 |
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| Permanent link to this record |
| |
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| |
|
Author |
Barbier, M.; Vasilopoulos, P.; Peeters, F.M.; Pereira, J.M. |
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| |
Title |
Bilayer graphene with single and multiple electrostatic barriers: band structure and transmission |
Type |
A1 Journal article |
| |
Year |
2009 |
Publication |
Physical review : B : solid state |
Abbreviated Journal |
Phys Rev B |
|
| |
Volume |
79 |
Issue |
15 |
Pages |
155402,1-155402,8 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
We evaluate the electronic transmission and conductance in bilayer graphene through a finite number of potential barriers. Further, we evaluate the dispersion relation in a bilayer graphene superlattice with a periodic potential applied to both layers. As a model we use the tight-binding Hamiltonian in the continuum approximation. For zero bias the dispersion relation shows a finite gap for carriers with zero momentum in the direction parallel to the barriers. This is in contrast to single-layer graphene where no such gap was found. A gap also appears for a finite bias. Numerical results for the energy spectrum, conductance, and the density of states are presented and contrasted with those pertaining to single-layer graphene. |
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| |
Address |
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Corporate Author |
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Thesis |
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| |
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
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| |
Language |
|
Wos |
000265944200091 |
Publication Date |
2009-04-01 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.836 |
Times cited |
74 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 3.836; 2009 IF: 3.475 |
|
| |
Call Number |
UA @ lucian @ c:irua:77025 |
Serial |
235 |
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| Permanent link to this record |
| |
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| |
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Author |
Tchakoua, T.; Powell, A.D.; Gerrits, N.; Somers, M.F.; Doblhoff-Dier, K.; Busnengo, H.F.; Kroes, G.-J. |
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| |
Title |
Simulating highly activated sticking of H₂ on Al(110) : quantum versus quasi-classical dynamics |
Type |
A1 Journal article |
| |
Year |
2023 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
|
|
| |
Volume |
127 |
Issue |
11 |
Pages |
5395-5407 |
|
| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
| |
Abstract |
We evaluate the importance of quantum effects on the sticking of H2 on Al(110) for conditions that are close to those of molecular beam experiments that have been done on this system. Calculations with the quasi-classical trajectory (QCT) method and with quantum dynamics (QD) are performed using a model in which only motion in the six molecular degrees of freedom is allowed. The potential energy surface used has a minimum barrier height close to the value recently obtained with the quantum Monte Carlo method. Monte Carlo averaging over the initial rovibrational states allowed the QD calculations to be done with an order of magnitude smaller computational expense. The sticking probability curve computed with QD is shifted to lower energies relative to the QCT curve by 0.21 to 0.05 kcal/mol, with the highest shift obtained for the lowest incidence energy. Quantum effects are therefore expected to play a small role in calculations that would evaluate the accuracy of electronic structure methods for determining the minimum barrier height to dissociative chemisorption for H2 + Al(110) on the basis of the standard procedure for comparing results of theory with molecular beam experiments. |
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| |
Address |
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| |
Corporate Author |
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Thesis |
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| |
Publisher |
|
Place of Publication |
|
Editor |
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| |
Language |
|
Wos |
000971346700001 |
Publication Date |
2023-03-14 |
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| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1932-7447; 1932-7455 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.7 |
Times cited |
|
Open Access |
OpenAccess |
|
| |
Notes |
|
Approved |
Most recent IF: 3.7; 2023 IF: 4.536 |
|
| |
Call Number |
UA @ admin @ c:irua:196071 |
Serial |
8525 |
|
| Permanent link to this record |
| |
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| |
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Author |
Becker, T.; Nelissen, K.; Cleuren, B.; Partoens, B.; van den Broeck, C. |
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| |
Title |
Diffusion of interacting particles in discrete geometries |
Type |
A1 Journal article |
| |
Year |
2013 |
Publication |
Physical review letters |
Abbreviated Journal |
Phys Rev Lett |
|
| |
Volume |
111 |
Issue |
11 |
Pages |
110601 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
We evaluate the self-diffusion and transport diffusion of interacting particles in a discrete geometry consisting of a linear chain of cavities, with interactions within a cavity described by a free-energy function. Exact analytical expressions are obtained in the absence of correlations, showing that the self-diffusion can exceed the transport diffusion if the free-energy function is concave. The effect of correlations is elucidated by comparison with numerical results. Quantitative agreement is obtained with recent experimental data for diffusion in a nanoporous zeolitic imidazolate framework material, ZIF-8. |
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| |
Address |
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| |
Corporate Author |
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Thesis |
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| |
Publisher |
|
Place of Publication |
New York, N.Y. |
Editor |
|
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| |
Language |
|
Wos |
000324233800001 |
Publication Date |
2013-09-11 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0031-9007;1079-7114; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
8.462 |
Times cited |
22 |
Open Access |
|
|
| |
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vlaanderen). ; |
Approved |
Most recent IF: 8.462; 2013 IF: 7.728 |
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| |
Call Number |
UA @ lucian @ c:irua:111176 |
Serial |
699 |
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| Permanent link to this record |
| |
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| |
|
Author |
Masir, M.R.; Vasilopoulos, P.; Peeters, F.M. |
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| |
Title |
Tunneling, conductance, and wavevector filtering through magnetic barriers in bilayer graphene |
Type |
A1 Journal article |
| |
Year |
2009 |
Publication |
Physical review : B : solid state |
Abbreviated Journal |
Phys Rev B |
|
| |
Volume |
79 |
Issue |
3 |
Pages |
035409,1-035409,8 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
We evaluate the transmission and conductance through magnetic barrier structures in bilayer graphene. In particular we consider a magnetic step, single and double barriers, -function barriers, as well as barrier structures that have average magnetic field equal to zero. The transmission depends strongly on the direction of the incident electron or hole wavevector and gives the possibility to construct a direction-dependent wavevector filter. The results contrast sharply with previous results on single-layer graphene. In general, the angular range of perfect transmission becomes drastically wider and the gaps narrower. This perfect transmission range decreases with the number of barriers, the barrier width, and the magnetic field. Depending on the structure, a variety of transmission resonances occur that are reflected in the conductance through the structure. |
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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 |
Lancaster, Pa |
Editor |
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| |
Language |
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Wos |
000262978200107 |
Publication Date |
2009-01-14 |
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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 |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
3.836 |
Times cited |
80 |
Open Access |
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|
| |
Notes |
|
Approved |
Most recent IF: 3.836; 2009 IF: 3.475 |
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| |
Call Number |
UA @ lucian @ c:irua:75983 |
Serial |
3762 |
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| Permanent link to this record |
| |
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| |
|
Author |
Masir, M.R.; Vasilopoulos, P.; Matulis, A.; Peeters, F.M. |
|
| |
Title |
Angular confinement and direction-dependent transmission in graphene nanostructures with magnetic barriers |
Type |
A1 Journal article |
| |
Year |
2009 |
Publication |
AIP conference proceedings |
Abbreviated Journal |
|
|
| |
Volume |
1199 |
Issue |
|
Pages |
363-364 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
We evaluate the transmission through magnetic barriers in graphene-based nanostructures. Several particular cases are considered: a magnetic step, single and double barriers, delta -function barriers as well as barrier structures with inhomogeneous magnetic field profiles but with average magnetic field equal to zero. The transmission exhibits a strong dependence on the direction of the incident wave vector. In general the resonant structure of the transmission is significantly more pronounced for (Dirac) electrons with linear spectrum compared to that for electrons with a parabolic one. |
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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 |
Editor |
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Language |
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Wos |
000281590800171 |
Publication Date |
2010-01-15 |
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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 |
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ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
|
Times cited |
|
Open Access |
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| |
Notes |
|
Approved |
Most recent IF: NA |
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| |
Call Number |
UA @ lucian @ c:irua:84892 |
Serial |
115 |
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| Permanent link to this record |
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Author |
Pandey, T.; Covaci, L.; Milošević, M.V.; Peeters, F.M. |
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| |
Title |
Flexoelectricity and transport properties of phosphorene nanoribbons under mechanical bending |
Type |
A1 Journal article |
| |
Year |
2021 |
Publication |
Physical Review B |
Abbreviated Journal |
Phys Rev B |
|
| |
Volume |
103 |
Issue |
23 |
Pages |
235406 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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| |
Abstract |
We examine from first principles the flexoelectric properties of phosphorene nanoribbons under mechanical bending along armchair and zigzag directions. In both cases we find that the radial polarization depends linearly on the strain gradient. The flexoelectricity along the armchair direction is over 40% larger than along the zigzag direction. The obtained flexoelectric coefficients of phosphorene are four orders of magnitude larger than those of graphene and comparable to transition metal dichalcogenides. Analysis of charge density shows that the flexoelectricity mainly arises from the pz orbitals of phosphorus atoms. The electron mobilities in bent phosphorene can be enhanced by over 60% along the armchair direction, which is significantly higher than previous reports of mobility tuned by uniaxial strain. Our results indicate phosphorene is a candidate for a two-dimensional material applicable in flexible-electronic devices. |
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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 |
000657129800006 |
Publication Date |
2021-06-02 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
2469-9969; 2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
3.836 |
Times cited |
8 |
Open Access |
Not_Open_Access |
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| |
Notes |
|
Approved |
Most recent IF: 3.836 |
|
| |
Call Number |
UA @ admin @ c:irua:179109 |
Serial |
6996 |
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| Permanent link to this record |
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Author |
H. Zhang, N. Gauquelin, G.A. Botton and J.Y.T. Wei |
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| |
Title |
Attenuation of superconductivity in manganite/cuprate heterostructures by epitaxially induced CuO intergrowths |
Type |
A1 Journal Article |
| |
Year |
2013 |
Publication |
Applied Physics Letters |
Abbreviated Journal |
|
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| |
Volume |
103 |
Issue |
|
Pages |
052606 |
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| |
Keywords |
A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ; |
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| |
Abstract |
We examine the effect of CuO intergrowths on the superconductivity in epitaxial
La 2/3 Ca 1/3 MnO 3 / YBa 2 Cu 3 O 7−δ La2/3Ca1/3MnO3/YBa2Cu3O7−δ
(LCMO/YBCO) thin-film heterostructures. Scanning transmission electron microscopy on bilayer LCMO/YBCO thin films revealed double CuO-chain intergrowths which form regions with the 247 lattice structure in the YBCO layer. These nanoscale 247 regions do not appear in x-ray diffraction, but can physically account for the reduced critical temperature (Tc) of bilayer thin films relative to unilayer films with the same YBCO thickness, at least down to ∼25 nm. We attribute the CuO intergrowths to the bilayer heteroepitaxial mismatch and the Tc reduction to the generally lower Tc seen in bulk 247 samples. These epitaxially-induced CuO intergrowths provide a microstructural mechanism for the attenuation of superconductivity in LCMO/YBCO heterostructures. |
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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 |
000322723000063 |
Publication Date |
2013-08-02 |
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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 |
|
ISBN |
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Additional Links |
|
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| |
Impact Factor |
|
Times cited |
12 |
Open Access |
|
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| |
Notes |
|
Approved |
Most recent IF: NA |
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| |
Call Number |
EMAT @ emat @ |
Serial |
4546 |
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| Permanent link to this record |
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Author |
Dixit, H.; Tandon, N.; Cottenier, S.; Saniz, R.; Lamoen, D.; Partoens, B.; van Speybroeck, V.; Waroquier, M. |
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Title |
Electronic structure and band gap of zinc spinel oxides beyond LDA : ZnAl2O4, ZnGa2O4 and ZnIn2O4 |
Type |
A1 Journal article |
| |
Year |
2011 |
Publication |
New journal of physics |
Abbreviated Journal |
New J Phys |
|
| |
Volume |
13 |
Issue |
6 |
Pages |
063002-063002,11 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
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Abstract |
We examine the electronic structure of the family of ternary zinc spinel oxides ZnX2O4 (X=Al, Ga and In). The band gap of ZnAl2O4 calculated using density functional theory (DFT) is 4.25 eV and is overestimated compared with the experimental value of 3.83.9 eV. The DFT band gap of ZnGa2O4 is 2.82 eV and is underestimated compared with the experimental value of 4.45.0 eV. Since DFT typically underestimates the band gap in the oxide system, the experimental measurements for ZnAl2O4 probably require a correction. We use two first-principles techniques capable of describing accurately the excited states of semiconductors, namely the GW approximation and the modified BeckeJohnson (MBJ) potential approximation, to calculate the band gap of ZnX2O4. The GW and MBJ band gaps are in good agreement with each other. In the case of ZnAl2O4, the predicted band gap values are >6 eV, i.e. ~2 eV larger than the only reported experimental value. We expect future experimental work to confirm our results. Our calculations of the electron effective masses and the second band gap indicate that these compounds are very good candidates to act as transparent conducting host materials. |
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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 |
Bristol |
Editor |
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Language |
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Wos |
000292137500002 |
Publication Date |
2011-06-03 |
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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 |
1367-2630; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
3.786 |
Times cited |
98 |
Open Access |
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| |
Notes |
Iwt; Fwo; Bof-Noi |
Approved |
Most recent IF: 3.786; 2011 IF: 4.177 |
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| |
Call Number |
UA @ lucian @ c:irua:89555 |
Serial |
1008 |
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| Permanent link to this record |
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Author |
Bliokh, K.Y.; Schattschneider, P.; Verbeeck, J.; Nori, F. |
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Title |
Electron vortex beams in a magnetic field : a new twist on Landau levels and Aharonov-Bohm states |
Type |
A1 Journal article |
| |
Year |
2012 |
Publication |
Physical review X |
Abbreviated Journal |
Phys Rev X |
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| |
Volume |
2 |
Issue |
4 |
Pages |
041011-41015 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
We examine the propagation of the recently discovered electron vortex beams in a longitudinal magnetic field. We consider both the Aharonov-Bohm configuration with a single flux line and the Landau case of a uniform magnetic field. While stationary Aharonov-Bohm modes represent Bessel beams with flux- and vortex-dependent probability distributions, stationary Landau states manifest themselves as nondiffracting Laguerre-Gaussian beams. Furthermore, the Landau-state beams possess field- and vortex-dependent phases: (i) the Zeeman phase from coupling the quantized angular momentum to the magnetic field and (ii) the Gouy phase, known from optical Laguerre-Gaussian beams. Remarkably, together these phases determine the structure of Landau energy levels. This unified Zeeman-Landau-Gouy phase manifests itself in a nontrivial evolution of images formed by various superpositions of modes. We demonstrate that, depending on the chosen superposition, the image can rotate in a magnetic field with either (i) Larmor, (ii) cyclotron (double-Larmor), or (iii) zero frequency. At the same time, its centroid always follows the classical cyclotron trajectory, in agreement with the Ehrenfest theorem. Interestingly, the nonrotating superpositions reproduce stable multivortex configurations that appear in rotating superfluids. Our results open an avenue for the direct electron-microscopy observation of fundamental properties of free quantum-electron states in magnetic fields. |
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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 |
College Park, Md |
Editor |
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Language |
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Wos |
000311551100001 |
Publication Date |
2012-11-26 |
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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 |
|
Edition |
|
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| |
ISSN |
2160-3308; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
12.789 |
Times cited |
130 |
Open Access |
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Notes |
Vortex ECASJO_; |
Approved |
Most recent IF: 12.789; 2012 IF: 6.711 |
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Call Number |
UA @ lucian @ c:irua:105139UA @ admin @ c:irua:105139 |
Serial |
991 |
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| Permanent link to this record |
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Author |
Cabral, L.R.E.; de Aquino, B.R.C.H.T.; de Souza Silva, C.C.; Milošević, M.V.; Peeters, F.M. |
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Title |
Two-shell vortex and antivortex dynamics in a Corbino superconducting disk |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
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Volume |
93 |
Issue |
93 |
Pages |
014515 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We examine theoretically the dynamics of two vortex shells in pinning-free superconducting thin disks in the Corbino geometry. In the first considered case, the inner shell is composed of vortices and the outer one of antivortices, corresponding to a state induced by the stray field of an off-plane magnetic dipole placed on top of the superconductor. In the second considered case, both shells comprise vortices induced by a homogeneous external field. We derive the equation of motion for each shell within the Bardeen-Stephen model and study the dynamics analytically by assuming both shells are rigid and commensurate. In both cases, two distinct regimes for vortex shell motion are identified: For low applied currents the entire configuration rotates rigidly, while above a threshold current the shells decouple from each other and rotate at different angular velocities. Analytical expressions for the decoupling current, the recombination time in the decoupled phases, as well as the voltage-current characteristics are presented. Our analytical results are in excellent agreement with numerical molecular dynamics simulations of the full many-vortex problem. |
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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 |
Lancaster, Pa |
Editor |
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Language |
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Wos |
000368481600003 |
Publication Date |
2016-01-25 |
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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 |
1098-0121; 1550-235x |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
3.836 |
Times cited |
7 |
Open Access |
|
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| |
Notes |
; This work was supported by the Brazilian Science Agencies CAPES, CNPq, and FACEPE under Grants No. APQ-1381-1.05/12, No. APQ 2017-1.05/12, and No. APQ-0598/1.05-08 and by EU-COST Action No. MP1201 and the Research Foundation-Flanders (FWO). ; |
Approved |
Most recent IF: 3.836 |
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| |
Call Number |
UA @ lucian @ c:irua:131541 |
Serial |
4270 |
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| Permanent link to this record |
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Author |
Vohra, A.; Khanam, A.; Slotte, J.; Makkonen, I.; Pourtois, G.; Porret, C.; Loo, R.; Vandervorst, W. |
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Title |
Heavily phosphorus doped germanium : strong interaction of phosphorus with vacancies and impact of tin alloying on doping activation |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
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Volume |
125 |
Issue |
22 |
Pages |
225703 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
We examined the vacancy trapping proficiency of Sn and P atoms in germanium using positron annihilation spectroscopy measurements, sensitive to the open-volume defects. Epitaxial Ge1 xSnx films were grown by chemical vapor deposition with different P concentrations in the 3: 0 1019-1: 5 1020 cm 3 range. We corroborate our findings with first principles simulations. Codoping of Ge with a Sn concentration of up to 9% is not an efficient method to suppress the free vacancy concentration and the formation of larger phosphorus-vacancy complexes. Experimental results confirm an increase in the number of P atoms around the monovacancy with P-doping, leading to dopant deactivation in epitaxial germanium-tin layers with similar Sn content. Vice versa, no impact on the improvement of maximum achieved P activation in Ge with increasing Sn-doping has been observed. Theoretical calculations also confirm that Pn-V (vacancy) complexes are energetically more stable than the corresponding SnmPn-V and Snm-V defect structures with the same number of alien atoms (Sn or P) around the monovacancy. he strong attraction of vacancies to the phosphorus atoms remains the dominant dopant deactivation mechanism in Ge as well as in Ge1 xSnx. Published under license by AIP Publishing. |
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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 |
000471698600044 |
Publication Date |
2019-06-10 |
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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 |
0021-8979; 1089-7550 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
2.068 |
Times cited |
1 |
Open Access |
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Notes |
|
Approved |
Most recent IF: 2.068 |
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| |
Call Number |
UA @ admin @ c:irua:161333 |
Serial |
6300 |
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| Permanent link to this record |
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Author |
Becker, T.; Nelissen, K.; Cleuren, B.; Partoens, B.; Van den Broeck, C. |
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Title |
Diffusion of interacting particles in discrete geometries: Equilibrium and dynamical properties |
Type |
A1 Journal article |
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Year |
2014 |
Publication |
Physical review : E : statistical, nonlinear, and soft matter physics |
Abbreviated Journal |
Phys Rev E |
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Volume |
90 |
Issue |
5 |
Pages |
052139 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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| |
Abstract |
We expand on a recent study of a lattice model of interacting particles [Phys. Rev. Lett. 111, 110601 (2013)]. The adsorption isotherm and equilibrium fluctuations in particle number are discussed as a function of the interaction. Their behavior is similar to that of interacting particles in porous materials. Different expressions for the particle jump rates are derived from transition-state theory. Which expression should be used depends on the strength of the interparticle interactions. Analytical expressions for the self-and transport diffusion are derived when correlations, caused by memory effects in the environment, are neglected. The diffusive behavior is studied numerically with kinetic Monte Carlo (kMC) simulations, which reproduces the diffusion including correlations. The effect of correlations is studied by comparing the analytical expressions with the kMC simulations. It is found that the Maxwell-Stefan diffusion can exceed the self-diffusion. To our knowledge, this is the first time this is observed. The diffusive behavior in one-dimensional and higher-dimensional systems is qualitatively the same, with the effect of correlations decreasing for increasing dimension. The length dependence of both the self-and transport diffusion is studied for one-dimensional systems. For long lengths the self-diffusion shows a 1/L dependence. Finally, we discuss when agreement with experiments and simulations can be expected. The assumption that particles in different cavities do not interact is expected to hold quantitatively at low and medium particle concentrations if the particles are not strongly interacting. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
American Institute of Physics |
Place of Publication |
Woodbury (NY) |
Editor |
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Language |
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Wos |
000345251500004 |
Publication Date |
2014-12-04 |
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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 |
1539-3755;1550-2376; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
2.366 |
Times cited |
8 |
Open Access |
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Notes |
; This work was supported by the Flemish Science Foundation (Fonds Wetenschappelijk Onderzoek), Project No. G.0388.11. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Hercules Foundation and the Flemish Government, Department EWI. ; |
Approved |
Most recent IF: 2.366; 2014 IF: 2.288 |
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| |
Call Number |
UA @ lucian @ c:irua:122134 |
Serial |
700 |
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| Permanent link to this record |
