| |
Records |
Links |
|
Author |
Michel, K.H.; Verberck, B. |
|
| |
Title  |
Theory of rigid-plane phonon modes in layered crystals |
Type |
A1 Journal article |
| |
Year |
2012 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
|
| |
Volume |
85 |
Issue |
9 |
Pages |
094303-094303,11 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
The lattice dynamics of low-frequency rigid-plane modes in metallic (graphene multilayers, GML) and in insulating (hexagonal boron-nitride multilayers, BNML) layered crystals is investigated. The frequencies of shearing and compression (stretching) modes depend on the layer number N and are presented in the form of fan diagrams. The results for GML and BNML are very similar. In both cases, only the interactions (van der Waals and Coulomb) between nearest-neighbor planes are effective, while the interactions between more distant planes are screened. A comparison with recent Raman scattering results on low-frequency shear modes in GML [Tan et al., Nat. Mater., in press, doi: 10.1038/nmat3245, (2012)] is made. Relations with the low-lying rigid-plane phonon dispersions in the bulk materials are established. Master curves, which connect the fan diagram frequencies for any given N, are derived. Static and dynamic thermal correlation functions for rigid-layer shear and compression modes are calculated. The results might be of use for the interpretation of friction force experiments on multilayer crystals. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000301646000006 |
Publication Date |
2012-03-19 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
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 |
38 |
Open Access |
|
|
| |
Notes |
; The authors are indebted to J. Maultzsch for bringing Ref. 20 to their attention. They thank D. Lamoen, F.M. Peeters, B. Trauzettel, and C. Van Haesendonck for useful discussions. This work has been financially supported by the Research Foundation Flanders (FWO). ; |
Approved |
Most recent IF: 3.836; 2012 IF: 3.767 |
|
| |
Call Number |
UA @ lucian @ c:irua:97787 |
Serial |
3619 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Michel, K.H.; Verberck, B. |
|
| |
Title |
Theory of phonon dispersions and piezoelectricity in multilayers of hexagonal boron-nitride |
Type |
A1 Journal article |
| |
Year |
2011 |
Publication |
Physica status solidi: B: basic research |
Abbreviated Journal |
Phys Status Solidi B |
|
| |
Volume |
248 |
Issue |
11 |
Pages |
2720-2723 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
Taking into account covalent, Coulomb and van der Waals interactions, we construct the dynamical matrix and calculate the phonon dispersion relations for multilayer crystals of hexagonal boron-nitride. Coulomb interactions account for a strong overbending of optical phonons. Applying and extending Born's long-wave theory to the case of multilayer crystals, we calculate the piezoelectric stress constant equation image as a function of the number of layers equation image. In agreement with group theory, we find that equation image for equation image even; for an uneven number equation image of layers we obtain equation image, i.e. the piezoelectric constant decreases as equation image. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
Berlin |
Editor |
|
|
| |
Language |
|
Wos |
000297517100069 |
Publication Date |
2011-10-18 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0370-1972; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
1.674 |
Times cited |
13 |
Open Access |
|
|
| |
Notes |
; Discussions with G. Heger, B. Partoens and F. M. Peeters are gratefully acknowledged. This work has been supported by the Flemish Science Foundation (FWO-Vl) and the Bijzonder Onderzoeksfonds, Universiteit Antwerpen (BOF-UA). ; |
Approved |
Most recent IF: 1.674; 2011 IF: 1.316 |
|
| |
Call Number |
UA @ lucian @ c:irua:94034 |
Serial |
3618 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Schattschneider, P.; Verbeeck, J. |
|
| |
Title |
Theory of free electron vortices |
Type |
A1 Journal article |
| |
Year |
2011 |
Publication |
Ultramicroscopy |
Abbreviated Journal |
Ultramicroscopy |
|
| |
Volume |
111 |
Issue |
9/10 |
Pages |
1461-1468 |
|
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
| |
Abstract |
The recent creation of electron vortex beams and their first practical application motivates a better understanding of their properties. Here, we develop the theory of free electron vortices with quantized angular momentum, based on solutions of the Schrödinger equation for cylindrical boundary conditions. The principle of transformation of a plane wave into vortices with quantized angular momentum, their paraxial propagation through round magnetic lenses, and the effect of partial coherence are discussed. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
|
| |
Language |
|
Wos |
000300461200002 |
Publication Date |
2011-07-26 |
|
| |
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 |
57 |
Open Access |
|
|
| |
Notes |
Esteem 026019 |
Approved |
Most recent IF: 2.843; 2011 IF: 2.471 |
|
| |
Call Number |
UA @ lucian @ c:irua:91882 |
Serial |
3617 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Michel, K.H.; Verberck, B. |
|
| |
Title |
Theory of elastic and piezoelectric effects in two-dimensional hexagonal boron nitride |
Type |
A1 Journal article |
| |
Year |
2009 |
Publication |
Physical review : B : solid state |
Abbreviated Journal |
Phys Rev B |
|
| |
Volume |
80 |
Issue |
22 |
Pages |
224301,1-224301,10 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
Starting from an empirical force constant model of valence interactions and calculating by Ewalds method the ion-ion force constants, we derive the dynamical matrix for a monolayer crystal of hexagonal boron nitride (h-BN). The phonon dispersion relations are calculated. The interplay between valence and Coulomb forces is discussed. It is shown by analytical methods that the longitudinal and the transverse optical (LO and TO) phonon branches for in-plane motion are degenerate at the Γ point of the Brillouin zone. Away from Γ, the LO branch exhibits pronounced overbending. It is found that the nonanalytic Coulomb contribution to the dynamical matrix causes a linear increase of the LO branch with increasing wave vector starting at Γ. This effect is general for two-dimensional (2D) ionic crystals. Performing a long-wavelength expansion of the dynamical matrix, we use Borns perturbation method to calculate the elastic constants (tension coefficients). Since the crystal is noncentrosymmetric, internal displacements due to relative shifts between the two sublattices (B and N) contribute to the elastic constants. These internal displacements are responsible for piezoelectric and dielectric phenomena. The piezoelectric stress constant and the dielectric susceptibility of 2D h-BN are calculated. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
|
| |
Language |
|
Wos |
000273228500045 |
Publication Date |
2009-12-21 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
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 |
96 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 3.836; 2009 IF: 3.475 |
|
| |
Call Number |
UA @ lucian @ c:irua:80576 |
Serial |
3616 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Michel, K.H.; Nikolaev, A.V. |
|
| |
Title |
Theory of distinct crystal structures of polymerized fullerides AC60, A=K, Rb, Cs: the specific role of alkalis |
Type |
A1 Journal article |
| |
Year |
2000 |
Publication |
Physical review letters |
Abbreviated Journal |
Phys Rev Lett |
|
| |
Volume |
85 |
Issue |
|
Pages |
3197-3200 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
|
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
New York, N.Y. |
Editor |
|
|
| |
Language |
|
Wos |
000089807800033 |
Publication Date |
2002-07-27 |
|
| |
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 |
16 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 8.462; 2000 IF: 6.462 |
|
| |
Call Number |
UA @ lucian @ c:irua:34339 |
Serial |
3615 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Michel, K.H.; Nikolaev, A.V.; Verberck, B. |
|
| |
Title |
Theory of crystal structures of polymerized C60-fullerite and fullerides AC60, A=K, Rb, Cs |
Type |
H1 Book chapter |
| |
Year |
2001 |
Publication |
|
Abbreviated Journal |
|
|
| |
Volume |
|
Issue |
|
Pages |
|
|
| |
Keywords |
H1 Book chapter; Condensed Matter Theory (CMT) |
|
| |
Abstract |
|
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
s.l. |
Editor |
|
|
| |
Language |
|
Wos |
|
Publication Date |
0000-00-00 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
462-465 |
Series Issue |
|
Edition |
|
|
| |
ISSN |
|
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:36883 |
Serial |
3614 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Michel, K.H.; Costamagna; Peeters, F.M. |
|
| |
Title |
Theory of anharmonic phonons in two-dimensional crystals |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
|
| |
Volume |
91 |
Issue |
91 |
Pages |
134302 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
Anharmonic effects in an atomic monolayer thin crystal with honeycomb lattice structure are investigated by analytical and numerical lattice dynamical methods. Starting from a semiempirical model for anharmonic couplings of third and fourth orders, we study the in-plane and out-of-plane (flexural) mode components of the generalized wave vector dependent Gruneisen parameters, the thermal tension and the thermal expansion coefficients as a function of temperature and crystal size. From the resonances of the displacement-displacement correlation functions, we obtain the renormalization and decay rate of in-plane and flexural phonons as a function of temperature, wave vector, and crystal size in the classical and in the quantum regime. Quantitative results are presented for graphene. There, we find that the transition temperature T-alpha from negative to positive thermal expansion is lowered with smaller system size. Renormalization of the flexural mode has the opposite effect and leads to values of T-alpha approximate to 300 K for systems of macroscopic size. Extensive numerical analysis throughout the Brillouin zone explores various decay and scattering channels. The relative importance of normal and umklapp processes is investigated. The work is complementary to crystalline membrane theory and computational studies of anharmonic effects in two-dimensional crystals. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
|
| |
Language |
|
Wos |
000353031000001 |
Publication Date |
2015-04-17 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
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 |
38 |
Open Access |
|
|
| |
Notes |
; We thank B. Verberck, D. Lamoen, and A. Dobry for useful comments. We acknowledge funding from the FWO (Belgium)-MINCyT (Argentina) collaborative research project. This work is supported by the EuroGRAPHENE project CONGRAN. ; |
Approved |
Most recent IF: 3.836; 2015 IF: 3.736 |
|
| |
Call Number |
UA @ lucian @ c:irua:132512 |
Serial |
4263 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Bliokh, K.Y.; Ivanov, I.P.; Guzzinati, G.; Clark, L.; Van Boxem, R.; Béché, A.; Juchtmans, R.; Alonso, M.A.; Schattschneider, P.; Nori, F.; Verbeeck, J. |
|
| |
Title |
Theory and applications of free-electron vortex states |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Physics reports |
Abbreviated Journal |
Phys Rep |
|
| |
Volume |
690 |
Issue |
690 |
Pages |
1-70 |
|
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
| |
Abstract |
Both classical and quantum waves can form vortices: with helical phase fronts and azimuthal current densities. These features determine the intrinsic orbital angular momentum carried by localized vortex states. In the past 25 years, optical vortex beams have become an inherent part of modern optics, with many remarkable achievements and applications. In the past decade, it has been realized and demonstrated that such vortex beams or wavepackets can also appear in free electron waves, in particular, in electron microscopy. Interest in free-electron vortex states quickly spread over different areas of physics: from basic aspects of quantum mechanics, via applications for fine probing of matter (including individual atoms), to high-energy particle collision and radiation processes. Here we provide a comprehensive review of theoretical and experimental studies in this emerging field of research. We describe the main properties of electron vortex states, experimental achievements and possible applications within transmission electron microscopy, as well as the possible role of vortex electrons in relativistic and high-energy processes. We aim to provide a balanced description including a pedagogical introduction, solid theoretical basis, and a wide range of practical details. Special attention is paid to translate theoretical insights into suggestions for future experiments, in electron microscopy and beyond, in any situation where free electrons occur. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000406169900001 |
Publication Date |
2017-05-29 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0370-1573 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
17.425 |
Times cited |
210 |
Open Access |
OpenAccess |
|
| |
Notes |
AFOSR, FA9550-14-1-0040 ; CREST, JPMJCR1676 ; Portuguese Fundação para a Ciência e a Tecnologia (FCT), IF/00989/2014/CP1214/CT0004 ; Austrian Science Fund, I543-N20 ; ERC, 278510 VORTEX ; We acknowledge discussions with Mark R. Dennis and Andrei Afanasev. This work was supported by the RIKEN Interdisciplinary Theoretical Science Research Group (iTHES) Project, the Multi-University Research Initiative (MURI) Center for Dynamic Magneto-Optics via the Air Force Office of Scientific Research (AFOSR) (Grant No. FA9550-14-1-0040), Grant-in-Aid for Scientific Research (A), Core Research for Evolutionary Science and Technology (CREST), the John Templeton Foundation, the Australian Research Council, the Portuguese Funda¸c˜ao para a Ciˆencia e a Tecnologia (FCT) (contract IF/00989/2014/CP1214/CT0004 under the IF2014 Program), contracts UID/FIS/00777/2013 and CERN/FIS-NUC/0010/2015 (partially funded through POCTI, COMPETE, QREN, and the European Union), Austrian Science Fund Grant No. I543-N20, the European Research Council under the 7th Framework Program (FP7) (ERC Starting Grant No. 278510 VORTEX), and FWO PhD Fellowship grants (Aspirant Fonds Wetenschappelijk OnderzoekVlaanderen). |
Approved |
Most recent IF: 17.425 |
|
| |
Call Number |
EMAT @ emat @ c:irua:143262 |
Serial |
4574 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Kosimov, D.P.; Dzhurakhalov, A.A.; Peeters, F.M. |
|
| |
Title |
Theoretical study of the stable states of small carbon clusters Cn (n=210) |
Type |
A1 Journal article |
| |
Year |
2008 |
Publication |
Physical review : B : solid state |
Abbreviated Journal |
Phys Rev B |
|
| |
Volume |
78 |
Issue |
23 |
Pages |
235433,1-235433,8 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
| |
Abstract |
Both even- and odd-numbered neutral carbon clusters Cn (n=210) are systematically studied using the energy minimization method and the modified Brenner potential for the carbon-carbon interactions. Many stable configurations were found, and several new isomers are predicted. For the lowest energy stable configurations we obtained their binding energies and bond lengths. We found that for n5 the linear isomer is the most stable one while for n>5 the monocyclic isomer becomes the most stable. The latter was found to be regular for all studied clusters. The dependence of the binding energy for linear and cyclic clusters versus the cluster size n (n=210) is found to be in good agreement with several previous calculations, in particular with ab initio calculations as well as with experimental data for n=25. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
|
| |
Language |
|
Wos |
000262245400119 |
Publication Date |
2008-12-24 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
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 |
35 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 3.836; 2008 IF: 3.322 |
|
| |
Call Number |
UA @ lucian @ c:irua:76006 |
Serial |
3613 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Xiao, Y. |
|
| |
Title |
Theoretical study of the optoelectronic properties of new type 2DEG materials : multilayer graphene and monolayer MoS2 |
Type |
Doctoral thesis |
| |
Year |
2017 |
Publication |
|
Abbreviated Journal |
|
|
| |
Volume |
|
Issue |
|
Pages |
144 p. |
|
| |
Keywords |
Doctoral thesis; Condensed Matter Theory (CMT) |
|
| |
Abstract |
|
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
|
Publication Date |
|
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
|
ISBN |
|
Additional Links |
UA library record |
|
| |
Impact Factor |
|
Times cited |
|
Open Access |
|
|
| |
Notes |
|
Approved |
no |
|
| |
Call Number |
UA @ admin @ c:irua:144948 |
Serial |
8661 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Houssa, M.; van den Broek, B.; Scalise, E.; Pourtois, G.; Afanas'ev, V.V.; Stesmans, A. |
|
| |
Title |
Theoretical study of silicene and germanene |
Type |
P1 Proceeding |
| |
Year |
2013 |
Publication |
Graphene, Ge/iii-v, And Emerging Materials For Post Cmos Applications 5 |
Abbreviated Journal |
|
|
| |
Volume |
|
Issue |
|
Pages |
|
|
| |
Keywords |
P1 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
| |
Abstract |
The structural and electronic properties of silicene and germanene on metallic and non-metallic substrates are investigated theoretically, using first-principles simulations. We first study the interaction of silicene with Ag(111) surfaces, focusing on the (4x4) silicene/Ag structure. Due to symmetry breaking in the silicene layer (nonequivalent number of top and bottom Si atoms), silicene is predicted to be semiconducting, with a computed energy gap of about 0.3 eV. However, the charge transfer occurring at the silicene/Ag(111) interface leads to an overall metallic system. We next investigate the interaction of silicene and germanene with hexagonal non-metallic substrates, namely ZnS and ZnSe. On reconstructed (semiconducting) (0001) ZnS or ZnSe surfaces, silicene and germanene are found to be semiconducting. Remarkably, the nature (indirect or direct) and magnitude of their energy band gap can be controlled by an out-of-plane electric field. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
Electrochemical soc inc |
Place of Publication |
Pennington |
Editor |
|
|
| |
Language |
|
Wos |
000354468000006 |
Publication Date |
2013-05-02 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
978-1-60768-374-2; 978-1-62332-023-2 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
|
Times cited |
6 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: NA |
|
| |
Call Number |
UA @ lucian @ c:irua:134451 |
Serial |
4529 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Moors, K.; Contino, A.; Van de Put, M.L.; Vandenberghe, W.G.; Fischetti, M., V; Magnus, W.; Sorée, B. |
|
| |
Title |
Theoretical study of scattering in graphene ribbons in the presence of structural and atomistic edge roughness |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
Physical review materials |
Abbreviated Journal |
|
|
| |
Volume |
3 |
Issue |
2 |
Pages |
024001 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
We investigate the diffusive electron-transport properties of charge-doped graphene ribbons and nanoribbons with imperfect edges. We consider different regimes of edge scattering, ranging from wide graphene ribbons with (partially) diffusive edge scattering to ribbons with large width variations and nanoribbons with atomistic edge roughness. For the latter, we introduce an approach based on pseudopotentials, allowing for an atomistic treatment of the band structure and the scattering potential, on the self-consistent solution of the Boltzmann transport equation within the relaxation-time approximation and taking into account the edge-roughness properties and statistics. The resulting resistivity depends strongly on the ribbon orientation, with zigzag (armchair) ribbons showing the smallest (largest) resistivity and intermediate ribbon orientations exhibiting intermediate resistivity values. The results also show clear resistivity peaks, corresponding to peaks in the density of states due to the confinement-induced subband quantization, except for armchair-edge ribbons that show a very strong width dependence because of their claromatic behavior. Furthermore, we identify a strong interplay between the relative position of the two valleys of graphene along the transport direction, the correlation profile of the atomistic edge roughness, and the chiral valley modes, leading to a peculiar strongly suppressed resistivity regime, most pronounced for the zigzag orientation. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000458161800001 |
Publication Date |
2019-02-06 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
2475-9953 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
|
Times cited |
4 |
Open Access |
|
|
| |
Notes |
; We acknowledge the Research Foundation – Flanders (FWO) for supporting K.M.'s research visit at the University of Texas at Dallas, as well as the support by the National Research Fund Luxembourg (FNR) with ATTRACT Grant No. 7556175. ; |
Approved |
Most recent IF: NA |
|
| |
Call Number |
UA @ admin @ c:irua:157499 |
Serial |
5235 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Mlinar, V.; Peeters, F.M. |
|
| |
Title |
Theoretical study of InAs/GaAs quantum dots grown on [11k] substrates in the presence of a magnetic field |
Type |
A1 Journal article |
| |
Year |
2006 |
Publication |
Microelectronics journal |
Abbreviated Journal |
Microelectron J |
|
| |
Volume |
37 |
Issue |
12 |
Pages |
1427-1429 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
|
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
Luton |
Editor |
|
|
| |
Language |
|
Wos |
000242907400002 |
Publication Date |
2006-07-08 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0026-2692; |
ISBN |
|
Additional Links |
UA library record; WoS full record |
|
| |
Impact Factor |
1.163 |
Times cited |
|
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 1.163; 2006 IF: 0.651 |
|
| |
Call Number |
UA @ lucian @ c:irua:62325 |
Serial |
3612 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Berdiyorov, G.R.; Bahlouli, H.; Peeters, F.M. |
|
| |
Title |
Theoretical study of electronic transport properties of a graphene-silicene bilayer |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
|
| |
Volume |
117 |
Issue |
117 |
Pages |
225101 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
Electronic transport properties of a graphene-silicene bilayer system are studied using density-functional theory in combination with the nonequilibrium Green's function formalism. Depending on the energy of the electrons, the transmission can be larger in this system as compared to the sum of the transmissions of separated graphene and silicene monolayers. This effect is related to the increased electron density of states in the bilayer sample. At some energies, the electronic states become localized in one of the layers, resulting in the suppression of the electron transmission. The effect of an applied voltage on the transmission becomes more pronounced in the layered sample as compared to graphene due to the larger variation of the electrostatic potential profile. Our findings will be useful when creating hybrid nanoscale devices where enhanced transport properties will be desirable. (C) 2015 AIP Publishing LLC. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
|
| |
Language |
|
Wos |
000356176100040 |
Publication Date |
2015-06-10 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0021-8979;1089-7550; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
2.068 |
Times cited |
10 |
Open Access |
|
|
| |
Notes |
; H. B. and F. M. P. acknowledge support from King Fahd University of Petroleum and Minerals, Saudi Arabia, under the RG1329-1 and RG1329-2 DSR Projects. ; |
Approved |
Most recent IF: 2.068; 2015 IF: 2.183 |
|
| |
Call Number |
c:irua:127075 |
Serial |
3611 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Mlinar, V.; Schliwa, A.; Bimberg, D.; Peeters, F.M. |
|
| |
Title |
Theoretical study of electronic and optical properties of inverted GaAs/AlxGa1-xAs quantum dots with smoothed interfaces in an external magnetic field |
Type |
A1 Journal article |
| |
Year |
2007 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
|
| |
Volume |
75 |
Issue |
|
Pages |
205308,1-9 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
|
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
|
| |
Language |
|
Wos |
000246890900065 |
Publication Date |
2007-09-24 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
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 |
14 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 3.836; 2007 IF: 3.172 |
|
| |
Call Number |
UA @ lucian @ c:irua:69652 |
Serial |
3610 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Nguyen, D.K.; Hoat, D.M.; Bafekry, A.; Van On, V.; Rivas-Silva, J.F.; Naseri, M.; Cocoletzi, G.H. |
|
| |
Title |
Theoretical prediction of the PtOX (X = S and Se) monolayers as promising optoelectronic and thermoelectric 2D materials |
Type |
A1 Journal article |
| |
Year |
2021 |
Publication |
Physica E-Low-Dimensional Systems & Nanostructures |
Abbreviated Journal |
Physica E |
|
| |
Volume |
131 |
Issue |
|
Pages |
114732 |
|
| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
|
| |
Abstract |
In this paper, two new monolayers, namely PtOS and PtOSe, are theoretically predicted using first-principles calculations. Structural, electronic, optical and thermoelectric properties are explored using full-potential linearized augmented plane-wave (FP-LAPW) method and the semiclassical Boltzmann transport theory. Predicted two-dimensional (2D) materials show good dynamical, thermodynamic and structural stability. Calculated electronic structures indicate the indirect gap semiconductor nature of the PtOS and PtOSe single layers with energy gap of 1.346(2.436) and 0.978(1.978) eV as calculated with the WC(HSE06) functional, respectively. Density of states spectra and valence charge distribution maps suggest a mix of covalent and ionic characters of the chemical bonds. 2D materials at hand exhibit good absorption property in the visible regime with coefficient value reaching the order of 105/cm, even much larger in the ultraviolet, suggesting the promising optoelectronic applicability. Finally, the thermoelectric parameters including electrical conductivity, thermal conductivity, Seebeck coefficient, power factor and figure of merit are determined and analyzed. Results indicate prospective thermoelectric performance of both considered single layers as demonstrated by large figure of merit close to unity. Our work introduces two new 2D multifunctional materials that may possess potential applications in the optoelectronic and thermoelectric nano-devices. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000647410700007 |
Publication Date |
2021-03-25 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1386-9477 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
2.221 |
Times cited |
|
Open Access |
Not_Open_Access |
|
| |
Notes |
|
Approved |
Most recent IF: 2.221 |
|
| |
Call Number |
UA @ admin @ c:irua:178346 |
Serial |
7030 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Michel, K.H.; Verberck, B. |
|
| |
Title |
Theoretical phonon dispersions in monolayers and multilayers of hexagonal boron-nitride |
Type |
A1 Journal article |
| |
Year |
2009 |
Publication |
Physica status solidi: B: basic research |
Abbreviated Journal |
Phys Status Solidi B |
|
| |
Volume |
246 |
Issue |
11/12 |
Pages |
2802-2805 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
Starting from an empirical force constant model of valence interactions and calculating by Ewald's method the electrostatic force constants, we derive the dynamical matrix for a monolayer and for multilayer systems of hexagonal boron nitride (h-BN). Solution of the secular problem leads to the corresponding phonon dispersion relations. The interplay between valence forces and Coulomb forces is discussed. A comparison with previous results on graphene and graphene multilayers is made. Our spectra on the h-BN monolayer are rather similar to previous ab initio theory results. Comparison is also made with Raman and infrared experimental results. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
Berlin |
Editor |
|
|
| |
Language |
|
Wos |
000272904100091 |
Publication Date |
2009-11-12 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0370-1972; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
1.674 |
Times cited |
10 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 1.674; 2009 IF: 1.150 |
|
| |
Call Number |
UA @ lucian @ c:irua:80673 |
Serial |
3609 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Verberck, B.; Nikolaev, A.V.; Michel, K.H. |
|
| |
Title |
Theoretical model for the structural phase transition at the metal-insulator transition in polymerized KC60 |
Type |
A1 Journal article |
| |
Year |
2002 |
Publication |
Physical Review B |
Abbreviated Journal |
Phys Rev B |
|
| |
Volume |
66 |
Issue |
16 |
Pages |
165425-165425,14 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
The recently discovered structural transition in polymerized KC60 at about 50 K results in a doubling of the unit cell volume and accompanies the 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 small orientational charge density waves along the polymer chains and concomitant displacements of the surrounding K+ ions. The effect is specific for the space group Pmnn of KC60 and is absent in RbC60 and CsC60 (space group I2/m). The mechanism is relevant for the metal-insulator transition. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000179286400135 |
Publication Date |
2002-10-30 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0163-1829;1095-3795; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.836 |
Times cited |
10 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 3.836; 2002 IF: NA |
|
| |
Call Number |
UA @ lucian @ c:irua:94907 |
Serial |
3608 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Verberck, B.; Nikolaev, A.V.; Michel, K.H. |
|
| |
Title |
Theoretical model for the structural phase transition and the metal-insulator transition in polymerized KC60 |
Type |
A1 Journal article |
| |
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 |
|
| |
Volume |
12 |
Issue |
1-2 |
Pages |
243-252 |
|
| |
Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
|
| |
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. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000220551600040 |
Publication Date |
2004-03-15 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1536-383X;1536-4046; |
ISBN |
|
Additional Links |
UA library record; WoS full record |
|
| |
Impact Factor |
1.35 |
Times cited |
|
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 1.35; 2004 IF: 1.117 |
|
| |
Call Number |
UA @ lucian @ c:irua:103259 |
Serial |
3607 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Eckert, M.; Mortet, V.; Zhang, L.; Neyts, E.; Verbeeck, J.; Haenen, ken; Bogaerts, A. |
|
| |
Title |
Theoretical investigation of grain size tuning during prolonged bias-enhanced nucleation |
Type |
A1 Journal article |
| |
Year |
2011 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
|
| |
Volume |
23 |
Issue |
6 |
Pages |
1414-1423 |
|
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
| |
Abstract |
In this paper, the effects of prolonged bias-enhanced nucleation (prolonged BEN) on the growth mechanisms of diamond are investigated by molecular dynamics (MD) and combined MD-Metropolis Monte Carlo (MD-MMC) simulations. First, cumulative impacts of CxHy+ and Hx+ on an a-C:H/nanodiamond composite were simulated; second, nonconsecutive impacts of the dominant ions were simulated in order to understand the observed phenomena in more detail. As stated in the existing literature, the growth of diamond structures during prolonged BEN is a process that takes place below the surface of the growing film. The investigation of the penetration behavior of CxHy+ and Hx+ species shows that the carbon-containing ions remain trapped within this amorphous phase where they dominate mechanisms like precipitation of sp3 carbon clusters. The H+ ions, however, penetrate into the crystalline phase at high bias voltages (>100 V), destroying the perfect diamond structure. The experimentally measured reduction of grain sizes at high bias voltage, reported in the literature, might thus be related to penetrating H+ ions. Furthermore, the CxHy+ ions are found to be the most efficient sputtering agents, preventing the build up of defective material. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
|
|
| |
Language |
|
Wos |
000288291400011 |
Publication Date |
2011-02-23 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0897-4756;1520-5002; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
9.466 |
Times cited |
9 |
Open Access |
|
|
| |
Notes |
Iwt; Fwo; Esteem 026019; Iap |
Approved |
Most recent IF: 9.466; 2011 IF: 7.286 |
|
| |
Call Number |
UA @ lucian @ c:irua:87642 |
Serial |
3605 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Chaves, A.; Mayers, M.Z.; Peeters, F.M.; Reichman, D.R. |
|
| |
Title |
Theoretical investigation of electron-hole complexes in anisotropic two-dimensional materials |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
|
| |
Volume |
93 |
Issue |
93 |
Pages |
115314 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
Trions and biexcitons in anisotropic two-dimensional materials are investigated within an effective mass theory. Explicit results are obtained for phosphorene and arsenene, materials that share features such as a direct quasiparticle gap and anisotropic conduction and valence bands. Trions are predicted to have remarkably high binding energies and an elongated electron-hole structure with a preference for alignment along the armchair direction, where the effective masses are lower. We find that biexciton binding energies are also notably large, especially for monolayer phosphorene, where they are found to be twice as large as those for typical monolayer transition metal dichalcogenides. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000372715700001 |
Publication Date |
2016-03-25 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
2469-9950;2469-9969; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.836 |
Times cited |
33 |
Open Access |
|
|
| |
Notes |
; This work has been financially supported by CNPq, through the PRONEX/FUNCAP and Science Without Borders programs, the FWO-CNPq bilateral program between Brazil and Flanders, and the Lemann Foundation. M.Z.M. is supported by a fellowship from the National Science Foundation, under Grant No. DGE-11-44155. ; |
Approved |
Most recent IF: 3.836 |
|
| |
Call Number |
UA @ lucian @ c:irua:133191 |
Serial |
4262 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Chu, D.P.; Peeters, F.M.; Kolodinski, S.; Roca, E. |
|
| |
Title |
Theoretical investigation of CoSi2/Si1-xGex detectors: influence of a Si tunneling barrier on the electro-optical characteristics |
Type |
A1 Journal article |
| |
Year |
1996 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
|
| |
Volume |
79 |
Issue |
|
Pages |
1151-1156 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
|
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
|
| |
Language |
|
Wos |
A1996TQ77500084 |
Publication Date |
0000-00-00 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0021-8979; 1089-7550 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
2.183 |
Times cited |
3 |
Open Access |
|
|
| |
Notes |
|
Approved |
no |
|
| |
Call Number |
UA @ lucian @ c:irua:15801 |
Serial |
3606 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Muia, L.M.; Van Grieken, R. |
|
| |
Title |
Theoretical evaluation of the effective alpha and De Jongh approaches in X-ray fluorescence analysis of geological materials in borax glass beads |
Type |
A1 Journal article |
| |
Year |
1989 |
Publication |
X-ray spectrometry |
Abbreviated Journal |
|
|
| |
Volume |
18 |
Issue |
6 |
Pages |
259-262 |
|
| |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
|
| |
Abstract |
An evaluation of the accuracy and suitability of the LachanceTraill algorithm using effective α-coefficients, and the De Jongh α approach for x-ray fluorescence analysis of borax glass beads prepared from geological material was performed. By using theoretical α-coefficients obtained from the same standard and calculated elemental intensities, the two algorithms were compared under identical conditions. When only the monitor standard is used, the LachanceTrail1 approach is found to be inferior to the De Jongh basic α method. If multi-standard calibration is performed for both approaches, the accuracies are almost identical and no significant difference is found in the results. The LachanceTraill algorithm has the advantage of being easier to implement on a minicomputer and, when used without standards, it is found to give results within a few percent of the true values, which is a useful indicator in the choice of appropriate standards for more accurate analytical work. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
A1989CE70800002 |
Publication Date |
2005-05-28 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0049-8246 |
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:116490 |
Serial |
8660 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Martens, T.; Mihailova, D.; van Dijk, J.; Bogaerts, A. |
|
| |
Title |
Theoretical characterization of an atmospheric pressure glow discharge used for analytical spectrometry |
Type |
A1 Journal article |
| |
Year |
2009 |
Publication |
Analytical chemistry |
Abbreviated Journal |
Anal Chem |
|
| |
Volume |
81 |
Issue |
21 |
Pages |
9096-9108 |
|
| |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
| |
Abstract |
We have investigated the plasma processes in an atmospheric pressure glow discharge (APGD) in He used for analytical spectrometry by means of fluid and Monte Carlo (MC) simulations. Typical results include the potential and electric field distributions in the plasma, the density profiles of the various plasma species throughout the discharge, the mean electron energy, as well as the rates of the various collision processes in the plasma, and the relative importance of the different production and loss rates for the various species. The similarities and differences with low-pressure glow discharges are discussed. The main differences are a very small cathode dark space region and a large positive column as well as the dominant role of molecular ions. Some characteristic features of the APGD, such as the occurrence of the different spatial zones in the discharge, are illustrated, with links to experimental observations. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
Washington, D.C. |
Editor |
|
|
| |
Language |
|
Wos |
000276191900062 |
Publication Date |
2009-10-08 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0003-2700;1520-6882; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
6.32 |
Times cited |
15 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 6.32; 2009 IF: 5.214 |
|
| |
Call Number |
UA @ lucian @ c:irua:79554 |
Serial |
3604 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Hasnat Rubel, A. |
|
| |
Title |
Theoretical characterization and optimization of nano-engineered superconducting scanning probe tip |
Type |
Doctoral thesis |
| |
Year |
2023 |
Publication |
|
Abbreviated Journal |
|
|
| |
Volume |
|
Issue |
|
Pages |
viii, 145 p. |
|
| |
Keywords |
Doctoral thesis; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
|
| |
Abstract |
Using state-of-the-art simulation methods, we optimized the performance of nanoscale superconducting scanning probe tips for advanced spatial imaging of magnetic fields. The systematic studies of the tips’ static properties as a function of the tilted magnetic field, geometric parameters, and material parameters were carried out. The sensitivity of different superconducting quantum interference devices (SQUIDs) to the magnetic field emanating from the magnetic nanoparticle, where the location of a magnetic nanoparticle is considered below the primary loop's center, was examined as a function of the primary and secondary loop dimensions. The main objective of the research was to characterize and optimize the performance of a nano-sized SQUID-on-tip (SOT) device. Optimal SOT sensitivity was sought, for different loop sizes, arm linewidth, and lead dimensions. Moreover, we revealed that a constriction in the loop arms of the SOT can substantially improve the sensitivity of the device. Finally, the properties of the theta-SOT device were examined in the presence of in-plane and out-of-plane magnetic field components, enabling nanoscale imaging of 3D distributions of the magnetic field. Altogether, the obtained results deliver an engineering solution for the optimum performance of the SOT device in desired conditions. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
|
Publication Date |
|
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
|
ISBN |
|
Additional Links |
UA library record |
|
| |
Impact Factor |
|
Times cited |
|
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: NA |
|
| |
Call Number |
UA @ admin @ c:irua:199494 |
Serial |
8942 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Houssa, M.; van den Broek, B.; Scalise, E.; Ealet, B.; Pourtois, G.; Chiappe, D.; Cinquanta, E.; Grazianetti, C.; Fanciulli, M.; Molle, A.; Afanas’ev, V.V.; Stesmans, A.; |
|
| |
Title |
Theoretical aspects of graphene-like group IV semiconductors |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
Applied surface science |
Abbreviated Journal |
Appl Surf Sci |
|
| |
Volume |
291 |
Issue |
|
Pages |
98-103 |
|
| |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
| |
Abstract |
Silicene and germanene are the silicon and germanium counterparts of graphene, respectively. Recent experimental works have reported the growth of silicene on (1 1 1)Ag surfaces with different atomic configurations, depending on the growth temperature and surface coverage. We first theoretically study the structural and electronic properties of silicene on (1 1 1) Ag surfaces, focusing on the (4 x 4) silicene/Ag structure. Due to symmetry breaking in the silicene layer (nonequivalent number of top and bottom Si atoms), the corrugated silicene layer, with the Ag substrate removed, is predicted to be semiconducting, with a computed energy bandgap of about 0.3 eV. However, the hybridization between the Si 3p orbitals and the Ag 5s orbital in the silicene/(1 1 1)Ag slab model leads to an overall metallic system, with a distribution of local electronic density of states, which is related to the slightly disordered structure of the silicene layer on the (1 1 1)Ag surface. We next study the interaction of silicene and germanene with different hexagonal non-metallic substrates, namely ZnS and ZnSe. On reconstructed (0 0 0 1)ZnS or ZnSe surfaces, which should be more energetically stable for very thin layers, silicene and germanene are found to be semiconducting. Remarkably, the nature and magnitude of their energy bandgap can be controlled by an out-of-plane electric field, an important finding for the potential use of these materials in nanoelectronic devices. (C) 2013 Elsevier B. V. All rights reserved. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
|
| |
Language |
|
Wos |
000329327700022 |
Publication Date |
2013-09-18 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0169-4332; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.387 |
Times cited |
20 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 3.387; 2014 IF: 2.711 |
|
| |
Call Number |
UA @ lucian @ c:irua:113765 |
Serial |
3603 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Gul, A.; Bacaksiz, C.; Unsal, E.; Akbali, B.; Tomak, A.; Zareie, H.M.; Sahin, H. |
|
| |
Title |
Theoretical and experimental investigation of conjugation of 1,6-hexanedithiol on MoS2 |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
Materials Research Express |
Abbreviated Journal |
Mater Res Express |
|
| |
Volume |
5 |
Issue |
3 |
Pages |
036415 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
We report an experimental and theoretical investigation of conjugation of 1,6-Hexaneditihiol (HDT) on MoS2 which is prepared by mixing MoS2 structure and HDT molecules in proper solvent. Raman spectra and the calculated phonon bands reveal that the HDT molecules bind covalently to MoS2. Surface morphology of MoS2/HDTstructure is changed upon conjugation ofHDTon MoS2 and characterized by using Scanning Electron Microscope (SEM). Density Functional Theory (DFT) based calculations show that HOMO-LUMO band gap of HDT is altered after the conjugation and two-S binding (handle-like) configuration is energetically most favorable among three different structures. This study displays that the facile thiol functionalization process of MoS2 is promising strategy for obtaining solution processable MoS2. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
IOP Publishing |
Place of Publication |
Bristol |
Editor |
|
|
| |
Language |
|
Wos |
000428781400003 |
Publication Date |
2018-03-07 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
2053-1591 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
1.068 |
Times cited |
2 |
Open Access |
|
|
| |
Notes |
; Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). HS acknowledges financial support from the TUBITAK under the project number 116C073. HS acknowledges support from Bilim Akademisi-The Science Academy, Turkey under the BAGEP program. ; |
Approved |
Most recent IF: 1.068 |
|
| |
Call Number |
UA @ lucian @ c:irua:154607UA @ admin @ c:irua:154607 |
Serial |
5133 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Harth, A.; van der Snickt, G.; Schalm, O.; Janssens, K.; Blanckaert, G. |
|
| |
Title |
The young Van Dyck's fingerprint : a technical approach to assess the authenticity of a disputed painting |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Heritage science |
Abbreviated Journal |
|
|
| |
Volume |
5 |
Issue |
|
Pages |
22-13 |
|
| |
Keywords |
A1 Journal article; Art; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Cultural Heritage Sciences (ARCHES) |
|
| |
Abstract |
The painting Saint Jerome, part of the collection of the Maagdenhuis Museum (Antwerp, Belgium), is attributed to the young Anthony van Dyck (1613-1621) with reservations. The painting displays remarkable compositional and iconographic similarities with two early Van Dyck works (1618-1620) now in Museum Boijmans van Beuningen (Rotterdam) and Nationalmuseum (Stockholm). Despite these similarities, previous art historical research did not result in a clear attribution to this master. In this study, the works authenticity as a young Van Dyck painting was assessed from a technical perspective by employing a twofold approach. First, technical information on Van Dycks materials and techniques, here identified as his fingerprint, were defined based on a literature review. Second, the materials and techniques of the questioned Saint Jerome painting were characterized by using complementary imaging techniques: infrared reflectography, X-ray radiography and macro X-ray fluorescence scanning. The insights from this non-invasive research were supplemented with analysis of a limited number of cross-sections by means of field emission scanning electron microscopy coupled with energy dispersive X-ray spectroscopy. The results demonstrated that the questioned paintings materials and techniques deviate from Van Dycks fingerprint, thus making the authorship of this master very unlikely. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000403971300001 |
Publication Date |
2017-05-12 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
2050-7445 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
|
Times cited |
1 |
Open Access |
|
|
| |
Notes |
; The authors are grateful to the staff of the Maagdenhuis Museum Antwerp, especially to Daniel Christiaens and Rudi van Velthoven, for their cooperation and enthusiastic support. Prof. Em. Claudine A. Chavannes-Mazel and Ph. D. student Alice Taatgen (University of Amsterdam) are acknowledged for the IRR recordings. We also would like to acknowledge Dr. Christina Currie (KIK/IRPA) and Catherine Fondaire (KIK/IRPA) for the XRR, and Eva Grieten (EMAT, University of Antwerp) for the FE-SEM-EDX. Finally, the authors wish to thank Prof. Dr. Katlijne van der Stighelen (University of Leuven) and Prof. Dr. Maximilaan Martens (Ghent University) for their art historical insights and additional comments. This research was supported by the Baillet Latour fund and Research Foundation Flanders (FWO). ; |
Approved |
Most recent IF: NA |
|
| |
Call Number |
UA @ admin @ c:irua:143633 |
Serial |
5923 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Borms, L.; Van Opstal, W.; Brusselaers, J.; Van Passel, S. |
|
| |
Title |
The working future : an analysis of skills needed by circular startups |
Type |
A1 Journal article |
| |
Year |
2023 |
Publication |
Journal of cleaner production |
Abbreviated Journal |
|
|
| |
Volume |
409 |
Issue |
|
Pages |
137261-137269 |
|
| |
Keywords |
A1 Journal article; Economics; Engineering sciences. Technology; Engineering Management (ENM) |
|
| |
Abstract |
Aside from potential environmental benefits, the implementation of circular economy principles in businesses can have merits for the labour market. The current unemployment in several regions of Europe and the qualitative mismatch between supply and demand could be countered by reskilling the labour force to adjust supply and demand to one another for increased reuse, repair, or recycling, among others. This study uses interviews to increase the focus of the research question and uses survey data to perform an ordered probit regression analysis to sketch the current and future landscape of startups’ skills in Flanders (Belgium), and to analyse the relationship between circular strategies and different types of skills. The results show that design to lower material use increases the need for transport and logistics skills, digitalisation increases the need for R&D and IT skills, and the recuperation of waste requires technical knowledge. Furthermore, gender, age, and experience of the entrepreneur influence the needed skills. The paper probed for policy recommendations for the uptake of circular strategies and recommendations for future research. The most asked policy measures by the respondents are innovation and collaboration support (subsidies), fiscal measures that support circular goods and services, and public procurement for circular goods and services. This research is of relevance for several stakeholders, such as startup ecosystems, sector organisations, policy makers in innovation policy and labour market policy, and educational institutions. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000988763400001 |
Publication Date |
2023-04-21 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0959-6526 |
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:195706 |
Serial |
9246 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Leenaerts, O.; Partoens, B.; Peeters, F.M.; Volodin, A.; van Haesendonck, C. |
|
| |
Title |
The work function of few-layer graphene |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
|
|
| |
Volume |
29 |
Issue |
3 |
Pages |
035003 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
A theoretical and experimental study of the work function of few-layer graphene is reported. The influence of the number of layers on the work function is investigated in the presence of a substrate, a molecular dipole layer, and combinations of the two. The work function of few-layer graphene is almost independent of the number of layers with only a difference between monolayer and multilayer graphene of about 60 meV. In the presence of a charge-donating substrate the charge distribution is found to decay exponentially away from the substrate and this is directly reflected in the work function of few-layer graphene. A dipole layer changes the work function only when placed in between the substrate and few-layer graphene through a change of the charge transfer between the two. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000425250600002 |
Publication Date |
2016-11-16 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0953-8984 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
|
Times cited |
61 |
Open Access |
|
|
| |
Notes |
|
Approved |
no |
|
| |
Call Number |
UA @ admin @ c:irua:164938 |
Serial |
8760 |
|
| Permanent link to this record |
