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Author |
Michel, K.H.; Verberck, B. |
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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 |
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Volume  |
248 |
Issue |
11 |
Pages |
2720-2723 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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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. |
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Place of Publication |
Berlin |
Editor |
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Language |
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Wos |
000297517100069 |
Publication Date |
2011-10-18 |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0370-1972; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.674 |
Times cited |
13 |
Open Access |
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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 |
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Call Number |
UA @ lucian @ c:irua:94034 |
Serial |
3618 |
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Author |
Brosens, F.; Magnus, W. |
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Title |
Carrier transport in nanodevices: revisiting the Boltzmann and Wigner distribution functions |
Type |
A1 Journal article |
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Year |
2009 |
Publication |
Physica status solidi: B: basic research |
Abbreviated Journal |
Phys Status Solidi B |
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Volume |
246 |
Issue |
7 |
Pages |
1656-1661 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems |
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Abstract |
In principle, transport of charged carriers in nanometer sized solid-state devices can be fully characterized once the non-equilibrium distribution function describing the carrier ensemble is known. In this light, we have revisited the Boltzmann and the Wigner distribution functions and the framework in which they emerge from the classical respectively quantum mechanical Liouville equation. We have assessed the method of the characteristic curves as a potential workhorse to solve the time dependent Boltzmann equation for carriers propagating through spatially non-uniform systems, such as nanodevices. In order to validate the proposed solution strategy, we numerically solve the Boltzmann equation for a one-dimensional conductor mimicking the basic features of a biased low-dimensional transistor operating in the on-state. Finally, we propose a computational scheme capable of extending the benefits of the above mentioned solution strategy when it comes to solve the Wigner-Liouville equation. |
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Place of Publication |
Berlin |
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Language |
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Wos |
000268659100033 |
Publication Date |
2009-04-22 |
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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 |
0370-1972;1521-3951; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.674 |
Times cited |
8 |
Open Access |
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Notes |
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Approved |
Most recent IF: 1.674; 2009 IF: 1.150 |
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Call Number |
UA @ lucian @ c:irua:77953 |
Serial |
284 |
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Author |
Michel, K.H.; Verberck, B. |
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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 |
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Volume |
246 |
Issue |
11/12 |
Pages |
2802-2805 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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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. |
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Place of Publication |
Berlin |
Editor |
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Language |
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Wos |
000272904100091 |
Publication Date |
2009-11-12 |
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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 |
0370-1972; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.674 |
Times cited |
10 |
Open Access |
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Notes |
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Approved |
Most recent IF: 1.674; 2009 IF: 1.150 |
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Call Number |
UA @ lucian @ c:irua:80673 |
Serial |
3609 |
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| Permanent link to this record |
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Author |
Michel, K.H.; Verberck, B. |
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Title |
Theory of the elastic constants of graphite and graphene |
Type |
A1 Journal article |
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Year |
2008 |
Publication |
Physica status solidi: B: basic research |
Abbreviated Journal |
Phys Status Solidi B |
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Volume |
245 |
Issue |
10 |
Pages |
2177-2180 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Born's long wave method is used to study the elastic properties of graphite and graphene. Starting from an empirical force constant model derived from full inplane phonon dispersions of graphite [Mohr et al., Phys. Rev. B 76, 035439 (2007)] we calculate the tension coefficients of graphene. Extending the model by interplanar interactions, we calculate the elastic constants of graphite. The agreement of our theoretical values with inelastic x-ray scattering results on elastic constants of graphite [Bosak et al., Phys. Rev. B 75, 153408 (2007)] is very satisfactory. |
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Place of Publication |
Berlin |
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Wos |
000260581800066 |
Publication Date |
2008-08-25 |
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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 |
0370-1972; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.674 |
Times cited |
47 |
Open Access |
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Notes |
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Approved |
Most recent IF: 1.674; 2008 IF: 1.166 |
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Call Number |
UA @ lucian @ c:irua:75660 |
Serial |
3621 |
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Author |
Verberck, B.; Michel, K.H. |
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Title |
Anisotropic packing of C-70 molecules in carbon nanotubes |
Type |
A1 Journal article |
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Year |
2007 |
Publication |
Physica status solidi B-basic solid state physics |
Abbreviated Journal |
Phys Status Solidi B |
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Volume |
244 |
Issue |
11 |
Pages |
4279-4282 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
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Place of Publication |
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Wos |
000251355800092 |
Publication Date |
2007-10-19 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0370-1972;1521-3951; |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
1.674 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 1.674; 2007 IF: 1.071 |
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Call Number |
UA @ lucian @ c:irua:67350 |
Serial |
128 |
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Author |
Krugel, A.; Axt, V.M.; Kuhn, T.; Vagov, A.; Peeters, F.M. |
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Title |
Coherent nonlinear optical response of excitons and biexcitons in quantum dots coupled to phonons |
Type |
A1 Journal article |
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Year |
2006 |
Publication |
Physica status solidi B – basic solid state physics |
Abbreviated Journal |
Phys Status Solidi B |
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Volume |
243 |
Issue |
10 |
Pages |
2241-2246 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
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Place of Publication |
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Wos |
000239932300006 |
Publication Date |
2006-08-15 |
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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 |
0370-1972;1521-3951; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.674 |
Times cited |
1 |
Open Access |
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Notes |
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Approved |
Most recent IF: 1.674; 2006 IF: 0.967 |
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Call Number |
UA @ lucian @ c:irua:60892 |
Serial |
380 |
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| Permanent link to this record |
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Author |
Vagov, A.; Croitoru, M.D.; Axt, V.M.; Kuhn, T.; Peeters, F.M. |
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Title |
High pulse area undamping of Rabi oscillations in quantum dots coupled to phonons |
Type |
A1 Journal article |
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Year |
2006 |
Publication |
Physica status solidi B – Basic solid state physics |
Abbreviated Journal |
Phys Status Solidi B |
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Volume |
243 |
Issue |
10 |
Pages |
2233-2240 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT); Electron microscopy for materials research (EMAT) |
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Abstract |
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Place of Publication |
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Language |
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Wos |
000239932300005 |
Publication Date |
2006-07-27 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0370-1972;1521-3951; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.674 |
Times cited |
16 |
Open Access |
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Notes |
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Approved |
Most recent IF: 1.674; 2006 IF: 0.967 |
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Call Number |
UA @ lucian @ c:irua:60891 |
Serial |
1440 |
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Author |
Papp, G.; Borza, S.; Peeters, F.M. |
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Title |
Spin transport through a ZnSe-based diluted magnetic semiconductor resonant tunneling structure in the presence of electric and magnetic fields |
Type |
A1 Journal article |
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Year |
2006 |
Publication |
Physica status solidi B: basic solid state physics |
Abbreviated Journal |
Phys Status Solidi B |
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Volume |
243 |
Issue |
8 |
Pages |
1956-1962 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
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Place of Publication |
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Language |
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Wos |
000239100800035 |
Publication Date |
2006-06-01 |
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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 |
0370-1972;1521-3951; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.674 |
Times cited |
10 |
Open Access |
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Notes |
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Approved |
Most recent IF: 1.674; 2006 IF: 0.967 |
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Call Number |
UA @ lucian @ c:irua:60563 |
Serial |
3103 |
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Author |
Govaerts, K.; Partoens, B.; Lamoen, D. |
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Title |
Extended homologous series of Sn–O layered systems: A first-principles study |
Type |
A1 Journal article |
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Year |
2016 |
Publication |
Solid state communications |
Abbreviated Journal |
Solid State Commun |
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Volume |
243 |
Issue |
243 |
Pages |
36-43 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
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Abstract |
Apart from the most studied tin-oxide compounds, SnO and SnO2, intermediate states have been claimed to exist for more than a hundred years. In addition to the known homologous series (Seko et al., Phys. Rev. Lett. 100, 045702 (2008)), we here predict the existence of several new compounds with an O concentration between 50 % (SnO) and 67 % (SnO2). All these intermediate compounds are constructed from removing one or more (101) oxygen layers of SnO2. Since the van der Waals (vdW) interaction is known to be important for the Sn-Sn interlayer distances, we use a vdW-corrected functional, and compare these results with results obtained with PBE and hybrid functionals. We present the electronic properties of the intermediate structures and we observe a decrease of the band gap when (i) the O concentration increases and (ii) more SnO-like units are present for a given concentration. The contribution of the different atoms to the valence and conduction band is also investigated. |
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Corporate Author |
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Place of Publication |
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Language |
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Wos |
000381544200007 |
Publication Date |
2016-06-12 |
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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 |
0038-1098 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.554 |
Times cited |
10 |
Open Access |
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Notes |
We gratefully acknowledge financial support from a GOA fund of the University of Antwerp. K.G. thanks the University of Antwerp for a PhD fellowship. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center) and the HPC infrastructure of the University of Antwerp (CalcUA), both funded by the Hercules Foundation and the Flemish Government – department EWI. |
Approved |
Most recent IF: 1.554 |
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Call Number |
c:irua:134037 |
Serial |
4085 |
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Author |
Papp, G.; Peeters, F.M. |
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Title |
Comment on “Tunable spin-injection and magnetoconductance in a novel 2DEG-ferromagnet structure” [phys. stat. sol. (b) 235, No. 1, 157-161 (2003)] |
Type |
A1 Journal article |
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Year |
2004 |
Publication |
Physica status solidi: B: basic research |
Abbreviated Journal |
Phys Status Solidi B |
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Volume |
241 |
Issue |
1 |
Pages |
222-223 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We point out that the predicted strong spin-injection effect by Jiang and Jalil [phys. stat. sol. (b) 235, 157 (2003)] for a double magnetic barrier structure is based on a wrong calculation of the transmission probability. We corrected the result and found no significant spin-injection. |
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Corporate Author |
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Publisher |
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Place of Publication |
Berlin |
Editor |
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Language |
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Wos |
000188585200028 |
Publication Date |
2003-12-29 |
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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 |
0370-1972;1521-3951; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.674 |
Times cited |
11 |
Open Access |
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Notes |
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Approved |
Most recent IF: 1.674; 2004 IF: 0.982 |
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Call Number |
UA @ lucian @ c:irua:103257 |
Serial |
413 |
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Author |
Copley, J.R.D.; Michel, K.H. |
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Title |
Multiple orientational order parameters in solid C60 |
Type |
A1 Journal article |
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Year |
1997 |
Publication |
Physica: B : condensed matter
T2 – International Conference on Neutron Scattering, AUG 17-21, 1997, TORONTO, CANADA |
Abbreviated Journal |
Physica B |
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Volume |
241 |
Issue |
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Pages |
454-455 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The transition Fm (3) over bar m -->Pa (3) over bar in solid C-60 is driven by the condensation of orientational modes belonging to X-5(+) irreducible representations (irreps) of Fm (3) over bar m. Taking into account irreps up to the manifold l = 12, we have studied the primary and secondary orientational order parameters loops). We have numerically solved the coupled molecular field equations for these oops and calculated the temperature dependence of Bragg reflection intensities. (C) 1998 Elsevier Science B.V. All rights reserved. |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
000074062600130 |
Publication Date |
2002-07-25 |
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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 |
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Series Issue |
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Edition |
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ISSN |
0921-4526; |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
1.386 |
Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: 1.386; 1997 IF: 0.991 |
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Call Number |
UA @ lucian @ c:irua:104360 |
Serial |
2228 |
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Author |
Hassani, N.; Movafegh-Ghadirli, A.; Mahdavifar, Z.; Peeters, F.M.; Neek-Amal, M. |
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Title |
Two new members of the covalent organic frameworks family : crystalline 2D-oxocarbon and 3D-borocarbon structures |
Type |
A1 Journal article |
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Year |
2024 |
Publication |
Computational materials science |
Abbreviated Journal |
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Volume |
241 |
Issue |
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Pages |
1-9 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Oxocarbons, known for over two centuries, have recently revealed a long-awaited facet: two-dimensional crystalline structures. Employing an intelligent global optimization algorithm (IGOA) alongside densityfunctional calculations, we unearthed a quasi -flat oxocarbon (C 6 0 6 ), featuring an oxygen -decorated hole, and a novel 3D-borocarbon. Comparative analyses with recently synthesized isostructures, such as 2D -porous carbon nitride (C 6 N 6 ) and 2D -porous boroxine (B 6 0 6 ), highlight the unique attributes of these compounds. All structures share a common stoichiometry of X 6 Y 6 (which we call COF-66), where X = B, C, and Y = B, N, O (with X not equal Y), exhibiting a 2D -crystalline structure, except for borocarbon C 6 B 6 , which forms a 3D crystal. In our comprehensive study, we conducted a detailed exploration of the electronic structure of X 6 Y 6 compounds, scrutinizing their thermodynamic properties and systematically evaluating phonon stability criteria. With expansive surface areas, diverse pore sizes, biocompatibility, pi-conjugation, and distinctive photoelectric properties, these structures, belonging to the covalent organic framework (COF) family, present enticing prospects for fundamental research and hold potential for biosensing applications. |
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Place of Publication |
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Wos |
001215960700001 |
Publication Date |
2024-04-23 |
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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 |
0927-0256 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:206005 |
Serial |
9179 |
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Author |
Pokatilov, E.P.; Croitoru, M.D.; Fomin, V.M.; Devreese, J.T. |
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Title |
Bipolaron stability in an ellipsoidal potential well |
Type |
A1 Journal article |
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Year |
2003 |
Publication |
Physica status solidi: B: basic research |
Abbreviated Journal |
Phys Status Solidi B |
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Volume |
237 |
Issue |
|
Pages |
244-251 |
|
| |
Keywords |
A1 Journal article; Theory of quantum systems and complex systems; Condensed Matter Theory (CMT); Electron microscopy for materials research (EMAT) |
|
| |
Abstract |
|
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
Berlin |
Editor |
|
|
| |
Language |
|
Wos |
000182801800022 |
Publication Date |
2003-04-24 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0370-1972;1521-3951; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
1.674 |
Times cited |
7 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 1.674; 2003 IF: 0.987 |
|
| |
Call Number |
UA @ lucian @ c:irua:44283 |
Serial |
243 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
van Rossum, M.; Schoenmaker, W.; Magnus, W.; de Meyer, K.; Croitoru, M.D.; Gladilin, V.N.; Fomin, V.M.; Devreese, J.T. |
|
| |
Title |
Moore's law: new playground for quantum physics |
Type |
A1 Journal article |
| |
Year |
2003 |
Publication |
Physica status solidi: B: basic research |
Abbreviated Journal |
Phys Status Solidi B |
|
| |
Volume |
237 |
Issue |
|
Pages |
426-432 |
|
| |
Keywords |
A1 Journal article; Theory of quantum systems and complex systems; Condensed Matter Theory (CMT); Electron microscopy for materials research (EMAT) |
|
| |
Abstract |
|
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
Berlin |
Editor |
|
|
| |
Language |
|
Wos |
000182801800041 |
Publication Date |
2003-04-24 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0370-1972;1521-3951; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
1.674 |
Times cited |
2 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 1.674; 2003 IF: 0.987 |
|
| |
Call Number |
UA @ lucian @ c:irua:44284 |
Serial |
2202 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Riva, C.; Peeters, F.M.; Varga, K.; Schweigert, V.A. |
|
| |
Title |
Correlation energy and configuration of biexcitons in quantum wells |
Type |
A1 Journal article |
| |
Year |
2002 |
Publication |
Physica status solidi: B: basic research |
Abbreviated Journal |
Phys Status Solidi B |
|
| |
Volume |
234 |
Issue |
1 |
Pages |
50-57 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
A calculation of the energy of a biexciton in a GaAs/AlGaAs quantum wen is presented. We compare the results obtained using two different techniques. We discuss the dependence of the biexciton correlation energy and binding energy on the electron/hole mass ratio and on the well width. The structure of the biexciton is also investigated. |
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| |
Address |
|
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| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
Berlin |
Editor |
|
|
| |
Language |
|
Wos |
000179600900009 |
Publication Date |
2002-11-07 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0370-1972;1521-3951; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
1.674 |
Times cited |
6 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 1.674; 2002 IF: 0.930 |
|
| |
Call Number |
UA @ lucian @ c:irua:99604 |
Serial |
526 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Hassani, N.; Yagmurcukardes, M.; Peeters, F.M.; Neek-Amal, M. |
|
| |
Title |
Chlorinated phosphorene for energy application |
Type |
A1 Journal article |
| |
Year |
2024 |
Publication |
Computational materials science |
Abbreviated Journal |
|
|
| |
Volume |
231 |
Issue |
|
Pages |
112625-112628 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
The influence of decoration with impurities and the composition dependent band gap in 2D materials has been the subject of debate for a long time. Here, by using Density Functional Theory (DFT) calculations, we systematically disclose physical properties of chlorinated phosphorene having the stoichiometry of PmCln. By analyzing the adsorption energy, charge density, migration energy barrier, structural, vibrational, and electronic properties of chlorinated phosphorene, we found that (I) the Cl-P bonds are strong with binding energy Eb =-1.61 eV, decreases with increasing n. (II) Cl atoms on phosphorene have anionic feature, (III) the migration path of Cl on phosphorene is anisotropic with an energy barrier of 0.38 eV, (IV) the phonon band dispersion reveal that chlorinated phosphorenes are stable when r <= 0.25 where r = m/n, (V) chlorinated phosphorenes is found to be a photonic crystal in the frequency range of 280 cm-1 to 325 cm-1, (VI) electronic band structure of chlorinated phosphorenes exhibits quasi-flat bands emerging around the Fermi level with widths in the range of 22 meV to 580 meV, and (VII) Cl adsorption causes a semiconducting to metallic/semi-metallic transition which makes it suitable for application as an electroactive material. To elucidate this application, we investigated the change in binding energy (Eb), specific capacity, and open-circuit voltage as a function of the density of adsorbed Cl. The theoretical storage capacity of the chlorinated phosphorene is found to be 168.19 mA h g-1with a large average voltage (similar to 2.08 V) which is ideal number as a cathode in chloride-ion batteries. |
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| |
Address |
|
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| |
Corporate Author |
|
Thesis |
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| |
Publisher |
|
Place of Publication |
|
Editor |
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| |
Language |
|
Wos |
001110003400001 |
Publication Date |
2023-11-04 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0927-0256 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.3 |
Times cited |
|
Open Access |
Not_Open_Access |
|
| |
Notes |
|
Approved |
Most recent IF: 3.3; 2024 IF: 2.292 |
|
| |
Call Number |
UA @ admin @ c:irua:202125 |
Serial |
9008 |
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| Permanent link to this record |
| |
|
| |
|
Author |
Karczewski, G.; Wojtowicz, T.; Wang, Y.-J.; Wu, X.; Peeters, F.M. |
|
| |
Title |
Electron effective mass and resonant polaron effect in CdTe/CdMgTe quantum wells |
Type |
A1 Journal article |
| |
Year |
2002 |
Publication |
Physica status solidi: B: basic research
T2 – 10th International Conference on II-VI Compounds, SEP 09-14, 2001, BREMEN, GERMANY |
Abbreviated Journal |
Phys Status Solidi B |
|
| |
Volume |
229 |
Issue |
1 |
Pages |
597-600 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
Cyclotron resonance in CdTe/CdMgTe quantum wells (QWs) was studied. Due to the polaron effect the zero-field effective mass is strongly influenced by the QW width. The experimental data have been described theoretically by taking into account electron-phonon coupling and the nonparabolicity of the conduction band. The subband structure was calculated self-consistently. The best fit was obtained for an electron-phonon coupling constant alpha = 0.3 and bare electron mass of m(b) = 0.092m(0). |
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| |
Address |
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| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
Berlin |
Editor |
|
|
| |
Language |
|
Wos |
000173806600118 |
Publication Date |
2002-08-25 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0370-1972;1521-3951; |
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; 2002 IF: 0.930 |
|
| |
Call Number |
UA @ lucian @ c:irua:102838 |
Serial |
925 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Riva, C.; Peeters, F.M.; Varga, K. |
|
| |
Title |
Positive and negative charged excitons in a semiconductor quantum well |
Type |
A1 Journal article |
| |
Year |
2001 |
Publication |
Physica status solidi: B: basic research |
Abbreviated Journal |
Phys Status Solidi B |
|
| |
Volume |
227 |
Issue |
|
Pages |
397-404 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
|
|
| |
Address |
|
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| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
Berlin |
Editor |
|
|
| |
Language |
|
Wos |
000171986600015 |
Publication Date |
2002-08-25 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0370-1972;1521-3951; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
1.674 |
Times cited |
5 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 1.674; 2001 IF: 0.873 |
|
| |
Call Number |
UA @ lucian @ c:irua:37310 |
Serial |
2677 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Peeters, F.M.; Matulis, A.; Ibrahim, I.S. |
|
| |
Title |
Two-dimensional electrons in modulated magnetic fields |
Type |
A1 Journal article |
| |
Year |
1996 |
Publication |
Physica: B : condensed matter |
Abbreviated Journal |
Physica B |
|
| |
Volume |
227 |
Issue |
|
Pages |
131-137 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
|
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
|
| |
Language |
|
Wos |
A1996VR71500035 |
Publication Date |
2003-05-01 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0921-4526; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
1.319 |
Times cited |
17 |
Open Access |
|
|
| |
Notes |
|
Approved |
no |
|
| |
Call Number |
UA @ lucian @ c:irua:15811 |
Serial |
3774 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Freire, J.A.K.; Matulis, A.; Peeters, F.M.; Freire, V.N.; Farias, G.A. |
|
| |
Title |
Exciton trapping in a hybrid ferromagnetic/semiconductor magnetic antidot |
Type |
A1 Journal article |
| |
Year |
2001 |
Publication |
Journal of magnetism and magnetic materials |
Abbreviated Journal |
J Magn Magn Mater |
|
| |
Volume |
226/230 |
Issue |
|
Pages |
2038-2039 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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| |
Abstract |
|
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
|
| |
Language |
|
Wos |
000170628400349 |
Publication Date |
2002-07-25 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0304-8853; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
2.63 |
Times cited |
2 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 2.63; 2001 IF: 1.329 |
|
| |
Call Number |
UA @ lucian @ c:irua:37314 |
Serial |
1119 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Papp, G.; Peeters, F.M. |
|
| |
Title |
Tunneling through a combined magnetic-potential barrier |
Type |
A1 Journal article |
| |
Year |
2001 |
Publication |
Physica status solidi: B: basic research |
Abbreviated Journal |
Phys Status Solidi B |
|
| |
Volume |
225 |
Issue |
|
Pages |
433-441 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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| |
Abstract |
|
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
Berlin |
Editor |
|
|
| |
Language |
|
Wos |
|
Publication Date |
0000-00-00 |
|
| |
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 |
|
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 1.674; 2001 IF: 0.873 |
|
| |
Call Number |
UA @ lucian @ c:irua:37309 |
Serial |
3764 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Janssens, K.L.; Peeters, F.M.; Schweigert, V.A. |
|
| |
Title |
Magnetic field dependence of the properties of excitons confined in a quantum disk |
Type |
A1 Journal article |
| |
Year |
2001 |
Publication |
Physica status solidi: B: basic research |
Abbreviated Journal |
Phys Status Solidi B |
|
| |
Volume |
224 |
Issue |
|
Pages |
763-768 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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| |
Abstract |
|
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
Berlin |
Editor |
|
|
| |
Language |
|
Wos |
000168432100030 |
Publication Date |
2004-11-23 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0370-1972;1521-3951; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
1.674 |
Times cited |
1 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 1.674; 2001 IF: 0.873 |
|
| |
Call Number |
UA @ lucian @ c:irua:37311 |
Serial |
1872 |
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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. |
|
| |
Title |
Adsorption and desorption in confined geometries : a discrete hopping model |
Type |
A1 Journal article |
| |
Year |
2014 |
Publication |
The European physical journal. Special topics |
Abbreviated Journal |
Eur Phys J-Spec Top |
|
| |
Volume |
223 |
Issue |
14 |
Pages |
3243-3256 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
We study the adsorption and desorption kinetics of interacting particles moving on a one-dimensional lattice. Confinement is introduced by limiting the number of particles on a lattice site. Adsorption and desorption are found to proceed at different rates, and are strongly influenced by the concentration-dependent transport diffusion. Analytical solutions for the transport and self-diffusion are given for systems of length 1 and 2 and for a zero-range process. In the last situation the self- and transport diffusion can be calculated analytically for any length. |
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| |
Address |
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| |
Corporate Author |
|
Thesis |
|
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| |
Publisher |
|
Place of Publication |
|
Editor |
|
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| |
Language |
|
Wos |
000346416400015 |
Publication Date |
2014-12-15 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1951-6355;1951-6401; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
1.862 |
Times cited |
4 |
Open Access |
|
|
| |
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vlaanderen). 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: 1.862; 2014 IF: 1.399 |
|
| |
Call Number |
UA @ lucian @ c:irua:122779 |
Serial |
61 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Marazzi, E.; Ghojavand, A.; Pirard, J.; Petretto, G.; Charlier, J.-C.; Rignanese, G.-M. |
|
| |
Title |
Modeling symmetric and defect-free carbon schwarzites into various zeolite templates |
Type |
A1 Journal article |
| |
Year |
2023 |
Publication |
Carbon |
Abbreviated Journal |
|
|
| |
Volume |
215 |
Issue |
|
Pages |
118385-118389 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
Recently, a process has been proposed for generating negatively-curved carbon schwarzites via zeolite-templating (Braun et al., 2018). However, the proposed process leads to atomistic models which are not very symmetric and often rather defective. In the present work, an improved generation approach is developed, by imposing symmetry constraints, which systematically leads to defect-free, hence more stable, schwarzites. The stability of the newly predicted symmetric schwarzites is also compared to that of other carbon nanostructures (in particular carbon nanotubes – CNTs), which could also be accommodated within the same templates. Our results suggest that only a few of these (such as FAU, SBT and SBS) can fit schwarzites more stable than CNTs. Our predictions could help experimentalists in the crucial choice of the template for the challenging synthesis of schwarzites. Furthermore, being highly symmetric and stable phases, the models could also be synthesized by means of other experimental procedures. |
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| |
Address |
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| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
001078649800001 |
Publication Date |
2023-09-04 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0008-6223 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
|
| |
Impact Factor |
10.9 |
Times cited |
|
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 10.9; 2023 IF: 6.337 |
|
| |
Call Number |
UA @ admin @ c:irua:200314 |
Serial |
9057 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
van Bockstal, L.; Mahy, M.; de Keyser, A.; Hoeks, W.; Herlach, F.; Peeters, F.M.; van de Graaf, W.; Borghs, G. |
|
| |
Title |
Cyclotron-resonance of 2D electrons at Si-δ-doped InSb layers grown on GaAs |
Type |
A1 Journal article |
| |
Year |
1995 |
Publication |
Physica: B : condensed matter |
Abbreviated Journal |
Physica B |
|
| |
Volume |
211 |
Issue |
|
Pages |
455-457 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
|
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
Amsterdam |
Editor |
|
|
| |
Language |
|
Wos |
A1995RD54400118 |
Publication Date |
0000-00-00 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0921-4526 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
1.319 |
Times cited |
2 |
Open Access |
|
|
| |
Notes |
|
Approved |
no |
|
| |
Call Number |
UA @ lucian @ c:irua:13038 |
Serial |
600 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Van Bockstal, L.; Mahy, M.; de Keyser, A.; Hoeks, W.; Herlach, F.; Peeters, F.M.; Van de Graaf, W.; Borghs, G. |
|
| |
Title |
Cyclotron-resonance of 2d electrons at Si-\delta-doped InSb layers grown on GaAs |
Type |
A1 Journal article |
| |
Year |
1995 |
Publication |
Physica: B : condensed matter |
Abbreviated Journal |
Physica B |
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| |
Volume |
211 |
Issue |
1-4 |
Pages |
466-469 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Cyclotron resonance (CR) of the electrons accumulated at sheets with heavy Si doping in InSb were observed using far infrared radiation. The angular dependence of the CR follows closely the 1/cos theta behaviour with some small deviations at high angles attributed to coupling between subbands. From the effective mass of the lowest subband, which is found to be 0.027m(o), the bottom of the lowest subband was determined to lie 125 meV below the Fermi level. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
Elsevier |
Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
A1995RD54400121 |
Publication Date |
2003-05-01 |
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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 |
0921-4526; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
1.319 |
Times cited |
2 |
Open Access |
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| |
Notes |
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Approved |
no |
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| |
Call Number |
UA @ lucian @ c:irua:95914 |
Serial |
601 |
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| Permanent link to this record |
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Author |
Koenraad, P.M.; van de Stadt, A.F.W.; Hai, G.Q.; Shi, J.M.; Vansant, P.; Peeters, F.M.; Devreese, J.T.; Perenboom, J.A.A.J.; Wolter, J.H. |
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| |
Title |
Electron mobility in Si delta doped GaAs |
Type |
A1 Journal article |
| |
Year |
1995 |
Publication |
Physica: B : condensed matter |
Abbreviated Journal |
Physica B |
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| |
Volume |
211 |
Issue |
|
Pages |
462-465 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
A1995RD54400120 |
Publication Date |
2003-05-01 |
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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 |
0921-4526; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.319 |
Times cited |
9 |
Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ lucian @ c:irua:11694 |
Serial |
978 |
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| Permanent link to this record |
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Author |
de Keyser, A.; Bogaerts, R.; van Bockstal, L.; Hoeks, W.; Herlach, F.; Karavolas, V.C.; Peeters, F.M.; van de Graaf, W.; Borghs, G. |
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Title |
Magnetotransport properties of Si-δ-doped InSb layers grown on GaAs |
Type |
A1 Journal article |
| |
Year |
1995 |
Publication |
Physica: B : condensed matter |
Abbreviated Journal |
Physica B |
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| |
Volume |
211 |
Issue |
|
Pages |
455-457 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
A1995RD54400118 |
Publication Date |
2003-05-01 |
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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 |
0921-4526; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.319 |
Times cited |
2 |
Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ lucian @ c:irua:12210 |
Serial |
1936 |
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| Permanent link to this record |
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Author |
Riva, C.; Schweigert, V.A.; Peeters, F.M. |
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Title |
Angular momentum transitions and magnetic evaporation in off-center D- centers in quantum well |
Type |
A1 Journal article |
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Year |
1998 |
Publication |
Physica status solidi: B: basic research |
Abbreviated Journal |
Phys Status Solidi B |
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Volume |
210 |
Issue |
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Pages |
599-603 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Berlin |
Editor |
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Language |
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Wos |
000077607400058 |
Publication Date |
2002-09-10 |
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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 |
|
Series Issue |
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Edition |
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ISSN |
0370-1972;1521-3951; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.674 |
Times cited |
1 |
Open Access |
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Notes |
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Approved |
Most recent IF: 1.674; 1998 IF: 0.818 |
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Call Number |
UA @ lucian @ c:irua:24182 |
Serial |
117 |
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| Permanent link to this record |
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Author |
Riva, C.; Varga, K.; Schweigert, V.A.; Peeters, F.M. |
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Title |
Binding energy and structure of localized biexcitons in quantum wells |
Type |
A1 Journal article |
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Year |
1998 |
Publication |
Physica status solidi: B: basic research |
Abbreviated Journal |
Phys Status Solidi B |
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Volume |
210 |
Issue |
|
Pages |
689-692 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Berlin |
Editor |
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Language |
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Wos |
000077607400073 |
Publication Date |
2002-09-10 |
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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 |
|
Series Issue |
|
Edition |
|
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ISSN |
0370-1972;1521-3951; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
1.674 |
Times cited |
12 |
Open Access |
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Notes |
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Approved |
Most recent IF: 1.674; 1998 IF: 0.818 |
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Call Number |
UA @ lucian @ c:irua:24181 |
Serial |
238 |
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| Permanent link to this record |
