Records |
Author |
Lamoen, D.; Michel, K.H. |
Title |
Crystal field and molecular structure of solid C60 |
Type |
A1 Journal article |
Year |
1993 |
Publication |
Zeitschrift für Physik : B : condensed matter |
Abbreviated Journal |
|
Volume |
92 |
Issue |
|
Pages |
323-330 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The crystal field in the orientationally disordered phase of C90-fullerite is derived from an intermolecular potential model, which takes into account the geometric difference between double bonds and single bonds. The molecules are modelled as rigid bodies, atoms and single bonds are treated as single interaction centers, while double bonds are described by a distribution of interaction centers along the bond. The crystal field is expanded in terms of cubic rotator functions. The calculated expansion coefficients are compared with empirical values derived from diffraction data. The angular dependence of the crystal field, resulting from an anticlockwise rotation of the molecule around the [111] axis, exhibits an absolute and a secondary minimum at angles of 98-degrees and 38-degrees respectively. The self interaction of the molecule in a deformable lattice is investigated. |
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 |
A1993MC88000005 |
Publication Date |
2005-03-25 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0722-3277;1434-6036; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
|
Times cited |
25 |
Open Access |
|
Notes |
|
Approved |
PHYSICS, CONDENSED MATTER 11/54 Q1 # |
Call Number |
UA @ lucian @ c:irua:5777 |
Serial |
553 |
Permanent link to this record |
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|
|
Author |
Martens, T.; Bogaerts, A.; Brok, W.J.M.; van Dijk, J. |
Title |
The dominant role of impurities in the composition of high pressure noble gas plasmas |
Type |
A1 Journal article |
Year |
2008 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
Volume |
92 |
Issue |
4 |
Pages |
041504,1-3 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
|
Address |
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Corporate Author |
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Thesis |
|
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000252860400026 |
Publication Date |
2008-02-04 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0003-6951; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.411 |
Times cited |
115 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.411; 2008 IF: 3.726 |
Call Number |
UA @ lucian @ c:irua:66820 |
Serial |
748 |
Permanent link to this record |
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|
|
Author |
Slachmuylders, A.F.; Partoens, B.; Peeters, F.M.; Magnus, W. |
Title |
Effect of a metallic gate on the energy levels of a shallow donor |
Type |
A1 Journal article |
Year |
2008 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
Volume |
92 |
Issue |
8 |
Pages |
083104,1-3 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
|
Address |
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Corporate Author |
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Thesis |
|
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
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Wos |
000254297300074 |
Publication Date |
2008-02-27 |
Series Editor |
|
Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0003-6951; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.411 |
Times cited |
14 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.411; 2008 IF: 3.726 |
Call Number |
UA @ lucian @ c:irua:69618 |
Serial |
792 |
Permanent link to this record |
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|
|
Author |
Halley, D.; Majjad, H.; Bowen, M.; Najjari, N.; Henry, Y.; Ulhaq-Bouillet, C.; Weber, W.; Bertoni, G.; Verbeeck, J.; Van Tendeloo, G. |
Title |
Electrical switching in Fe/Cr/MgO/Fe magnetic tunnel junctions |
Type |
A1 Journal article |
Year |
2008 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
Volume |
92 |
Issue |
21 |
Pages |
212115,1-3 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Hysteretic resistance switching is observed in epitaxial Fe/Cr/MgO/Fe magnetic tunnel junctions under bias voltage cycling between negative and positive values of about 1 V. The junctions switch back and forth between high- and low-resistance states, both of which depend on the device bias history. A linear dependence is found between the magnitude of the tunnel magnetoresistance and the crafted resistance of the junctions. To explain these results, a model is proposed that considers electron transport both by elastic tunneling and by defect-assisted transmission. (c) 2008 American Institute of Physics. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000256303500042 |
Publication Date |
2008-06-02 |
Series Editor |
|
Series Title |
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Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0003-6951; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.411 |
Times cited |
33 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.411; 2008 IF: 3.726 |
Call Number |
UA @ lucian @ c:irua:69284UA @ admin @ c:irua:69284 |
Serial |
894 |
Permanent link to this record |
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|
|
Author |
Bogaerts, A.; Gijbels, R. |
Title |
Hybrid modeling network for a helium-argon-copper hollow cathode discharge used for laser applications |
Type |
A1 Journal article |
Year |
2002 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
Volume |
92 |
Issue |
11 |
Pages |
6408-6422 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
|
Address |
|
Corporate Author |
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Thesis |
|
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000179206600007 |
Publication Date |
2002-11-14 |
Series Editor |
|
Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0021-8979; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.068 |
Times cited |
24 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.068; 2002 IF: 2.281 |
Call Number |
UA @ lucian @ c:irua:40189 |
Serial |
1522 |
Permanent link to this record |
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|
|
Author |
Grigorieva, I.V.; Geim, A.K.; Dubonos, S.V.; Novoselov, K.S.; Vodolazov, D.Y.; Peeters, F.M.; Kes, P.H.; Hesselberth, M. |
Title |
Long-range nonlocal flow of vortices in narrow superconducting channels |
Type |
A1 Journal article |
Year |
2004 |
Publication |
Physical review letters |
Abbreviated Journal |
Phys Rev Lett |
Volume |
92 |
Issue |
23 |
Pages |
237001,1-4 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
|
Address |
|
Corporate Author |
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Thesis |
|
Publisher |
|
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000221961900045 |
Publication Date |
2004-06-08 |
Series Editor |
|
Series Title |
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Abbreviated Series Title |
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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 |
28 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 8.462; 2004 IF: 7.218 |
Call Number |
UA @ lucian @ c:irua:69419 |
Serial |
1838 |
Permanent link to this record |
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|
|
Author |
Tahir, M.; Vasilopoulos, P.; Peeters, F.M. |
Title |
Magneto-optical transport properties of monolayer phosphorene |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
92 |
Issue |
92 |
Pages |
045420 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The electronic properties of monolayer phosphorene are exotic due to its puckered structure and large intrinsic direct band gap. We derive and discuss its band structure in the presence of a perpendicular magnetic field. Further, we evaluate the magneto-optical Hall and longitudinal optical conductivities as functions of temperature, magnetic field, and Fermi energy, and show that they are strongly influenced by the magnetic field. The imaginary part of the former and the real part of the latter exhibit regular interband oscillations as functions of the frequency omega in the range (h) over bar omega similar to 1.5-2 eV. Strong intraband responses in the latter and weak ones in the former occur at much lower frequencies. The magneto-optical response can be tuned in the microwave-to-terahertz and visible frequency ranges in contrast with a conventional two-dimensional electron gas or graphene in which the response is limited to the terahertz regime. This ability to isolate carriers in an anisotropic structure may make phosphorene a promising candidate for new optical devices. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
|
Editor |
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Language |
|
Wos |
000358373600003 |
Publication Date |
2015-07-23 |
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 |
68 |
Open Access |
|
Notes |
; This work was supported by the the Canadian NSERC Grant No. OGP0121756 (M.T., P.V.) and by the Flemish Science Foundation (FWO-Vl) (F.M.P.). ; |
Approved |
Most recent IF: 3.836; 2015 IF: 3.736 |
Call Number |
c:irua:127192 |
Serial |
1903 |
Permanent link to this record |
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|
|
Author |
Ignatova, V.A.; Lebedev, O.I.; Watjen, U.; van Vaeck, L.; van Landuyt, J.; Gijbels, R.; Adams, F. |
Title |
Metal and composite nanocluster precipitate formation in silicon dioxide implanted with Sb+ ions |
Type |
A1 Journal article |
Year |
2002 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
Volume |
92 |
Issue |
8 |
Pages |
4336-4341 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000178318000024 |
Publication Date |
2002-10-07 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0021-8979; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.068 |
Times cited |
5 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.068; 2002 IF: 2.281 |
Call Number |
UA @ lucian @ c:irua:39872 |
Serial |
2005 |
Permanent link to this record |
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|
|
Author |
Herrebout, D.; Bogaerts, A.; Yan, M.; Gijbels, R.; Goedheer, W.; Vanhulsel, A. |
Title |
Modeling of a capacitively coupled radio-frequency methane plasma: comparison between a one-dimensional and a two-dimensional fluid model |
Type |
A1 Journal article |
Year |
2002 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
Volume |
92 |
Issue |
5 |
Pages |
2290-2295 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
|
Address |
|
Corporate Author |
|
Thesis |
|
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000177548500011 |
Publication Date |
2002-09-18 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0021-8979; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.068 |
Times cited |
15 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.068; 2002 IF: 2.281 |
Call Number |
UA @ lucian @ c:irua:40188 |
Serial |
2113 |
Permanent link to this record |
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|
|
Author |
Leenaerts, O.; Partoens, B.; Peeters, F.M. |
Title |
Paramagnetic adsorbates on graphene: a charge transfer analysis |
Type |
A1 Journal article |
Year |
2008 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
Volume |
92 |
Issue |
24 |
Pages |
243125,1-3 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
We introduce a modified version of the Hirshfeld charge analysis method and demonstrate its accurateness by calculating the charge transfer between the paramagnetic molecule NO2 and graphene. The charge transfer between paramagnetic molecules and a graphene layer as calculated with ab initio methods can crucially depend on the size of the supercell used in the calculation. This has important consequences for adsorption studies involving paramagnetic molecules such as NO2 physisorbed on graphene or on carbon nanotubes. © 2008 American Institute of Physics. |
Address |
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Corporate Author |
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Thesis |
|
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000256934900099 |
Publication Date |
2008-06-24 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0003-6951; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.411 |
Times cited |
79 |
Open Access |
|
Notes |
This work was supported by the Flemish Science Foundation (FWO-Vl), the NOI-BOF of the University of Antwerp, and the Belgian Science Policy (IAP). Discussions with C. Van Alsenoy are gratefully acknowledged. |
Approved |
Most recent IF: 3.411; 2008 IF: 3.726 |
Call Number |
UA @ lucian @ c:irua:69619 |
Serial |
2552 |
Permanent link to this record |
|
|
|
Author |
Cornelissens, Y.G.; Peeters, F.M. |
Title |
Response function of a Hall magnetosensor in the diffusive regime |
Type |
A1 Journal article |
Year |
2002 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
Volume |
92 |
Issue |
4 |
Pages |
2006-2012 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Two-dimensional electron gas systems patterned into micrometer Hall bars can be used as Hall magnetosensors. In this way, ballistic Hall probes have already been studied and used successfully. Here, the response function of a Hall sensor is determined in the diffusive regime, which allows this device to be used as a magnetosensor for the determination of inhomogeneous magnetic field distributions. Furthermore, the influence of the geometry of the Hall bar on this response function, such as circular corners and asymmetry in the probes, is also investigated and appears to be non-negligible. (C) 2002 American Institute of Physics. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000177171700046 |
Publication Date |
2002-09-18 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0021-8979; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.068 |
Times cited |
24 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.068; 2002 IF: 2.281 |
Call Number |
UA @ lucian @ c:irua:102826 |
Serial |
2897 |
Permanent link to this record |
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|
|
Author |
Shakouri, K.; Peeters, F.M. |
Title |
Spin- and pseudospin-polarized quantum Hall liquids in HgTe quantum wells |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
92 |
Issue |
92 |
Pages |
045416 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
A Hg(Cd)Te insulator heterostructure hosts a two-dimensional electron system that can simulate the physics of Dirac fermions with only a single valley. We investigate the magnetotransport properties of this structure and show that, unlike most two-dimensional crystals with spin and valley coupled levels, the Shubnikov-de Haas oscillations exhibit a high spin polarization in the absence of any valley degree of freedom. This effect can be observed using magnetospectroscopy measurements for quantum well thicknesses corresponding to either the topologically trivial or quantum spin Hall phases. The pseudospin texture of the electrons near the Fermi level is also studied and we show that a tunable pseudospin-polarized quantum Hall liquid can only be observed for thicknesses corresponding to the inverted regime. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
|
Editor |
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Language |
|
Wos |
000358032000002 |
Publication Date |
2015-07-17 |
Series Editor |
|
Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
3 |
Open Access |
|
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem program of the Flemish government. ; |
Approved |
Most recent IF: 3.836; 2015 IF: 3.736 |
Call Number |
c:irua:127097 |
Serial |
3077 |
Permanent link to this record |
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Author |
Tadić, M.; Peeters, F.M.; Janssens, K.L.; Korkusinski, M.; Hawrylak, P. |
Title |
Strain and band edges in single and coupled cylindrical InAs/GaAs and InP/InGaP self-assembled quantum dots |
Type |
A1 Journal article |
Year |
2002 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
Volume |
92 |
Issue |
10 |
Pages |
5819-5829 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
A comparative study is made of the strain distribution in cylindrical InAs/GaAs and InP/InGaP self-assembled quantum dots as obtained from isotropic elasticity theory, the anisotropic continuum mechanical model, and from atomistic calculations. For the isotropic case, the recently proposed approach [J. H. Davies, J. Appl. Phys. 84, 1358 (1998)] is used, while the finite-element method, the valence force field method, and Stillinger-Weber potentials are employed to calculate the strain in anisotropic structures. We found that all four methods result in strain distributions of similar shapes, but with notable quantitative differences inside the dot and near the disk-matrix boundary. The variations of the diagonal strains with the height of the quantum dot, with fixed radius, as calculated from all models, are almost linear. Furthermore, the energies of the band edges in the two types of quantum dots are extracted from the multiband effective-mass theory by inserting the strain distributions as obtained by the four models. We demonstrated that all strain models produce effective potentials for the heavy and light holes which agree very well inside the dot. A negligible anisotropy of all normal strains in the (x,y) plane is found, which, providing the axial symmetry of the kinetic part of the multiband effective-mass Hamiltonian, justifies the use of the axial approximation. Strain propagation along the vertical direction is also considered with the aim to study the influence of strain on the electron coupling in stacks of quantum dots. We found that the interaction between the strain fields of the individual quantum dots makes the effective quantum wells for the electrons in the conduction band shallower, thereby counteracting the quantum mechanical coupling. (C) 2002 American Institute of Physics. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
Language |
|
Wos |
000178987200036 |
Publication Date |
2002-11-07 |
Series Editor |
|
Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0021-8979; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.068 |
Times cited |
73 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.068; 2002 IF: 2.281 |
Call Number |
UA @ lucian @ c:irua:103327 |
Serial |
3164 |
Permanent link to this record |
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|
Author |
Doria, M.M.; de Romaguera, A.R.C.; Peeters, F.M. |
Title |
The ground states of the two-component order parameter superconductor |
Type |
A1 Journal article |
Year |
2010 |
Publication |
Europhysics letters |
Abbreviated Journal |
Epl-Europhys Lett |
Volume |
92 |
Issue |
1 |
Pages |
17004 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
We show that in presence of an applied external field the two-component order parameter superconductor falls in two categories of ground states, namely, in the traditional Abrikosov ground state or in a new ground state fitted to describe a superconducting layer with texture, that is, patched regions separated by a phase difference of pi. The existence of these two kinds of ground states follows from the sole assumption that the total supercurrent is the sum of the two individual supercurrents and is independent of any consideration about the free energy expansion. Uniquely defined relations between the current density and the superfluid density hold for these two ground states, which also determine the magnetization in terms of average values of the order parameters. Because these ground-state conditions are also Bogomolny equations we construct the free energy for the two-component superconductor which admits the Bogomolny solution at a special coupling value. Copyright (C) EPLA, 2010 |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Paris |
Editor |
|
Language |
|
Wos |
000284469900027 |
Publication Date |
2010-10-30 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0295-5075;1286-4854; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.957 |
Times cited |
8 |
Open Access |
|
Notes |
; ; |
Approved |
Most recent IF: 1.957; 2010 IF: 2.753 |
Call Number |
UA @ lucian @ c:irua:95558 |
Serial |
3584 |
Permanent link to this record |
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|
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Author |
Shakouri, K.; Simchi, H.; Esmaeilzadeh, M.; Mazidabadi, H.; Peeters, F.M. |
Title |
Tunable spin and charge transport in silicene nanoribbons |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
92 |
Issue |
92 |
Pages |
035413 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Using the tight-binding formalism, we study spin and charge transport through a zigzag silicene ribbon subject to an external electric field E-z. The effect of an exchange field M-z is also taken into account and its consequences on the band structure as well as spin transport are evaluated. We show that the band structure lacks spin inversion symmetry in the presence of intrinsic spin-orbit interaction in combination of E-z and M-z fields. Our quantum transport calculations indicate that for certain energy ranges of the incoming electrons the silicene ribbon can act as a controllable high-efficiency spin polarizer. The polarization maxima occur simultaneously with the van Hove singularities of the local density of states. In this case, the combination of electric and exchange fields is the key to achieving nearly perfect spin polarization, which also leads to the appearance of additional narrow plateaus in the quantum conductance. Moreover, we demonstrate that the output current still remains completely spin-polarized for low-energy carriers even when a few edge vacancies are present. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000357806900004 |
Publication Date |
2015-07-10 |
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 |
|
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
70 |
Open Access |
|
Notes |
; ; |
Approved |
Most recent IF: 3.836; 2015 IF: 3.736 |
Call Number |
c:irua:127099 |
Serial |
3746 |
Permanent link to this record |
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Author |
da Costa, D.R.; Chaves, A.; Sena, S.H.R.; Farias, G.A.; Peeters, F.M. |
Title |
Valley filtering using electrostatic potentials in bilayer graphene |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
92 |
Issue |
92 |
Pages |
045417 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Propagation of an electron wave packet through a quantum point contact (QPC) defined by electrostatic gates in bilayer graphene is investigated. The gates provide a bias between the layers, in order to produce an energy gap. If the gates on both sides of the contact produce the same bias, steps in the electron transmission probability are observed, as in the usual QPC. However, if the bias is inverted on one of the sides of the QPC, only electrons belonging to one of the Dirac valleys are allowed to pass, which provides a very efficient valley filtering. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000358253200009 |
Publication Date |
2015-07-20 |
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 |
|
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
47 |
Open Access |
|
Notes |
; This work was financially supported by CNPq, under PNPD and PRONEX/FUNCAP grants; the CAPES Foundation under ProcessNo. BEX7178/13-1; the Bilateral programme between Flanders and Brazil; the Flemish Science Foundation (FWOVl); and the Brazilian program Science Without Borders (CsF). ; |
Approved |
Most recent IF: 3.836; 2015 IF: 3.736 |
Call Number |
c:irua:127152 |
Serial |
3833 |
Permanent link to this record |
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Author |
Adami, O.-A.; Jelić, Ž.L.; Xue, C.; Abdel-Hafiez, M.; Hackens, B.; Moshchalkov, V.V.; Milošević, M.V.; Van de Vondel, J.; Silhanek, A.V. |
Title |
Onset, evolution, and magnetic braking of vortex lattice instabilities in nanostructured superconducting films |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Physical review: B: condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
92 |
Issue |
92 |
Pages |
134506 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
In 1976, Larkin and Ovchinnikov [Zh. Eksp. Teor. Fiz. 68, 1915 (1975) [Sov. Phys.–JETP 41, 960 (1976)]] predicted that vortex matter in superconductors driven by an electrical current can undergo an abrupt dynamic transition from a flux-flow regime to a more dissipative state at sufficiently high vortex velocities. Typically, this transition manifests itself as a large voltage jump at a particular current density, so-called instability current density J∗, which is smaller than the depairing current. By tuning the effective pinning strength in Al films, using an artificial periodic pinning array of triangular holes, we show that a unique and well-defined instability current density exists if the pinning is strong, whereas a series of multiple voltage transitions appear in the relatively weaker pinning regime. This behavior is consistent with time-dependent Ginzburg-Landau simulations, where the multiple-step transition can be unambiguously attributed to the progressive development of vortex chains and subsequently phase-slip lines. In addition, we explore experimentally the magnetic braking effects, caused by a thick Cu layer deposited on top of the superconductor, on the instabilities and the vortex ratchet effect. |
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Corporate Author |
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Publisher |
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Place of Publication |
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Language |
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Wos |
000362433200003 |
Publication Date |
2015-10-08 |
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 |
|
ISSN |
1098-0121 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
21 |
Open Access |
|
Notes |
ACKNOWLEDGMENTS: This work was partially supported by the Fonds de la Recherche Scientifique-FNRS, the Methusalem Funding of the Flemish Government, the Research Foundation-Flanders (FWO), and COST Action MP1201. The work of A.V.S. and Z.L.J. is partially supported by “Mandat d’Impulsion Scientifique” MIS F.4527.13 of the F.R.S.-FNRS. B.H. is an associate researcher of the Fonds de la Recherche Scientifique- FNRS. The authors thank J. Cuppens for the data analysis at the early stage of this work, R. Delamare for his valuable help during the fabrication of the samples, and G. Grimaldi for helpful discussions. |
Approved |
Most recent IF: 3.836; 2015 IF: 3.736 |
Call Number |
c:irua:128747 |
Serial |
3981 |
Permanent link to this record |
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Author |
Aierken, Y.; Leenaerts, O.; Peeters, F.M. |
Title |
Defect-induced faceted blue phosphorene nanotubes |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
92 |
Issue |
92 |
Pages |
104104 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The properties of a new class of phosphorene nanotubes (PNT) are investigated by performing first-principles calculations. We demonstrate that it is advantageous to use blue phosphorene in order to make small nanotubes and propose a way to create low-energy PNTs by the inclusion of defect lines. Five different types of defect lines are investigated and incorporated in various combinations. The resulting defect-induced faceted PNTs have negligible bending stresses which leads to a reduction in the formation energy with respect to round PNTs. Our armchair faceted PNTs have similar formation energies than the recently proposed multiphase faceted PNTs, but they have a larger variety of possible structures. Our zigzag faceted PNTs have lower formation energies than round tubes and multiphase faceted nanotubes. The electronic properties of the defect-induced faceted PNTs are determined by the defect lines which control the band gap and the shape of the electronic states at the band edges. These band gaps increase with the radius of the nanotubes and converge to those of isolated defect lines. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000361037200006 |
Publication Date |
2015-09-12 |
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 |
|
ISSN |
1098-0121 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
24 |
Open Access |
|
Notes |
This work was supported by the Fonds Wetenschappelijk Onderzoek (FWO-Vl). The computational resources and ser- vices 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: 3.836; 2015 IF: 3.736 |
Call Number |
c:irua:127837 |
Serial |
4033 |
Permanent link to this record |
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Author |
Aierken, Y.; Çakır, D.; Sevik, C.; Peeters, F.M. |
Title |
Thermal properties of black and blue phosphorenes from a first-principles quasiharmonic approach |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
92 |
Issue |
92 |
Pages |
081408 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Different allotropes of phosphorene are possible of which black and blue phosphorus are the most stable. While blue phosphorus has isotropic properties, black phosphorus is strongly anisotropic in its electronic and optical properties due to its anisotropic crystal structure. In this work, we systematically investigated the lattice thermal properties of black and blue phosphorene by using first-principles calculations based on the quasiharmonic approximation approach. Similar to the optoelectronic and electronic properties, we predict that black phosphorene has highly anisotropic thermal properties, in contrast to the blue phase. The linear thermal expansion coefficients along the zigzag and armchair direction differ up to 20% in black phosphorene. The armchair direction of black phosphorene is more expandable as compared to the zigzag direction and the biaxial expansion of blue phosphorene under finite temperature. Our comparative analysis reveals that the inclusion of finite-temperature effects makes the blue phase thermodynamically more stable over the black phase above 135 K. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000359860700005 |
Publication Date |
2015-08-19 |
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 |
|
ISSN |
1098-0121 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
124 |
Open Access |
|
Notes |
This work was supported by the Flemish Science Founda- tion (FWO-Vl) and the Methusalem foundation of the Flem- ish government. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Comput- ing Center (TR-Grid e-Infrastructure), and HPC infrastructure of the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules foundation. C.S. acknowledges the support from Anadolu University (BAP-1407F335), and Turkish Academy of Sciences (TUBA-GEBIP). |
Approved |
Most recent IF: 3.836; 2015 IF: 3.736 |
Call Number |
c:irua:127754 |
Serial |
4034 |
Permanent link to this record |
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Author |
Dell'Anna, L.; Perali, A.; Covaci, L.; Neilson, D. |
Title |
Using magnetic stripes to stabilize superfluidity in electron-hole double monolayer graphene |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
92 |
Issue |
92 |
Pages |
220502 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Experiments have confirmed that double monolayer graphene does not generate finite-temperature electron-hole superfluidity, because of very strong screening of the pairing attraction. The linear dispersing energy bands in monolayer graphene block any attempt to reduce the strength of the screening. We propose a hybrid device with two sheets of monolayer graphene in a modulated periodic perpendicular magnetic field. The field preserves the isotropic Dirac cones of the original monolayers but reduces the slope of the cones, making the monolayer Fermi velocity v(F) smaller. We demonstrate that with current experimental techniques, the reduction in vF can weaken the screening sufficiently to allow electron-hole superfluidity at measurable temperatures. |
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Corporate Author |
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Publisher |
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Place of Publication |
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Language |
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Wos |
000366500100004 |
Publication Date |
2015-12-14 |
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 |
|
ISSN |
1098-0121 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
7 |
Open Access |
|
Notes |
; We thank M. Zarenia for useful discussions. L.D. acknowledges financial support from MIUR: FIRB 2012, Grant No. RBFR12NLNA_002, and PRIN, Grant No. 2010LLKJBX. A.P. and D.N. acknowledge financial support from University of Camerino FAR project CESEMN. L.C. acknowledges financial support from Flemish Science Foundation (FWO). ; |
Approved |
Most recent IF: 3.836; 2015 IF: 3.736 |
Call Number |
c:irua:130211 |
Serial |
4069 |
Permanent link to this record |
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Author |
Juchtmans, R.; Verbeeck, J. |
Title |
Orbital angular momentum in electron diffraction and its use to determine chiral crystal symmetries |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Physical review: B: condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
92 |
Issue |
92 |
Pages |
134108 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
In this work we present an alternative way to look at electron diffraction in a transmission electron microscope.
Instead of writing the scattering amplitude in Fourier space as a set of plane waves,we use the cylindrical Fourier transform to describe the scattering amplitude in a basis of orbital angular momentum (OAM) eigenstates. We show how working in this framework can be very convenient when investigating, e.g., rotation and screw-axis symmetries. For the latter we find selection rules on the OAM coefficients that unambiguously reveal the handedness of the screw axis. Detecting the OAM coefficients of the scattering amplitude thus offers the possibility to detect the handedness of crystals without the need for dynamical simulations, the thickness of the sample, nor the exact crystal structure. We propose an experimental setup to measure the OAM components where an image of the crystal is taken after inserting a spiral phase plate in the diffraction plane and perform multislice simulations on α quartz to demonstrate how the method indeed reveals the chirality. The experimental feasibility of the technique is discussed together with its main advantages with respect to chirality determination of screw axes. The method shows how the use of a spiral phase plate can be extended from a simple phase imaging technique to a tool to measure the local OAM decomposition of an electron wave, widening the field of interest well beyond chiral space group determination. |
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Corporate Author |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000362893100002 |
Publication Date |
2015-10-14 |
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 |
|
ISSN |
1098-0121; 1550-235x |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
16 |
Open Access |
|
Notes |
The authors acknowledge support from the FWO (As- pirant Fonds Wetenschappelijk Onderzoek–Vlaanderen), the EU under the Seventh Framework Program (FP7) under a contract for an Integrated Infrastructure Initiative, Reference No. 312483-ESTEEM2, and ERC Starting Grant No. 278510 VORTEX; esteem2jra1; ECASJO; |
Approved |
Most recent IF: 3.836; 2015 IF: 3.736 |
Call Number |
c:irua:129417 c:irua:129417UA @ admin @ c:irua:129417 |
Serial |
4089 |
Permanent link to this record |
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Author |
Sobrino Fernandez, M.M.; Neek-Amal, M.; Peeters, F.M. |
Title |
AA-stacked bilayer square ice between graphene layers |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
92 |
Issue |
92 |
Pages |
245428 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Water confined between two graphene layers with a separation of a few A forms a layered two-dimensional ice structure. Using large scale molecular dynamics simulations with the adoptable ReaxFF interatomic potential we found that flat monolayer ice with a rhombic-square structure nucleates between the graphene layers which is nonpolar and nonferroelectric. We provide different energetic considerations and H-bonding results that explain the interlayer and intralayer properties of two-dimensional ice. The controversial AA stacking found experimentally [Algara-Siller et al., Nature (London) 519, 443 (2015)] is consistent with our minimum-energy crystal structure of bilayer ice. Furthermore, we predict that an odd number of layers of ice has the same lattice structure as monolayer ice, while an even number of ice layers exhibits the square ice AA stacking of bilayer ice. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lancaster, Pa |
Editor |
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Language |
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Wos |
000366731800004 |
Publication Date |
2015-12-17 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1098-0121; 1550-235x |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
40 |
Open Access |
|
Notes |
; This work was supported by the ESF-Eurographene project CONGRAN, and the Flemish Science Foundation (FWO-Vl). ; |
Approved |
Most recent IF: 3.836; 2015 IF: 3.736 |
Call Number |
c:irua:130203 |
Serial |
4127 |
Permanent link to this record |
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Author |
Galvan-Moya; Misko, V.R.; Peeters, F.M. |
Title |
Chainlike transitions in Wigner crystals : sequential versus nonsequential |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
92 |
Issue |
92 |
Pages |
064112 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The structural transitions of the ground state of a system of repulsively interacting particles confined in a quasi-one-dimensional channel, and the effect of the interparticle interaction as well as the functional form of the confinement potential on those transitions are investigated. Although the nonsequential ordering of transitions (non-SOT), i.e., the 1 – 2 – 4 – 3 – 4 – 5 – 6 – ... sequence of chain configurations with increasing density, is widely robust as predicted in a number of theoretical studies, the sequential ordering of transitions (SOT), i.e., the 1 – 2 – 3 – 4 – 5 – 6 – ... chain, is found as the ground state for long-ranged interparticle interaction and hard-wall-like confinement potentials. We found an energy barrier between every two different phases around its transition point, which plays an important role in the preference of the system to follow either a SOT or a non-SOT. However, that preferential transition requires also the stability of the phases during the transition. Additionally, we analyze the effect of a small structural disorder on the transition between the two phases around its transition point. Our results show that a small deformation of the triangular structure changes dramatically the picture of the transition between two phases, removing in a considerable region the non-SOT in the system. This feature could explain the fact that the non-SOT is, up to now, not observed in experimental systems, and suggests a more advanced experimental setup to detect the non-SOT. |
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Corporate Author |
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Publisher |
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Place of Publication |
Lancaster, Pa |
Editor |
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Language |
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Wos |
000359859400003 |
Publication Date |
2015-08-21 |
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 |
|
ISSN |
1098-0121; 1550-235x |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
3 |
Open Access |
|
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Odysseus and Methusalem programmes of the Flemish government. Computational resources were provided by HPC infrastructure of the University of Antwerp (CalcUA) a division of the Flemish Supercomputer Center (VSC). ; |
Approved |
Most recent IF: 3.836; 2015 IF: 3.736 |
Call Number |
UA @ lucian @ c:irua:127753 |
Serial |
4148 |
Permanent link to this record |
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Author |
da Costa, D.R.; Zarenia, M.; Chaves, A.; Farias, G.A.; Peeters, F.M. |
Title |
Energy levels of bilayer graphene quantum dots |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
92 |
Issue |
92 |
Pages |
115437 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Within a tight binding approach we investigate the energy levels of hexagonal and triangular bilayer graphene (BLG) quantum dots (QDs) with zigzag and armchair edges. We study AA- and AB-(Bernal) stacked BLG QDs and obtain the energy levels in both the absence and the presence of a perpendicular electric field (i.e., biased BLG QDs). Our results show that the size dependence of the energy levels is different from that of monolayer graphene QDs. The energy spectrum of AB-stacked BLG QDs with zigzag edges exhibits edge states which spread out into the opened energy gap in the presence of a perpendicular electric field. We found that the behavior of these edges states is different for the hexagonal and triangular geometries. In the case of AA-stacked BLG QDs, the electron and hole energy levels cross each other in both cases of armchair and zigzag edges as the dot size or the applied bias increases. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lancaster, Pa |
Editor |
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Language |
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Wos |
000361663700003 |
Publication Date |
2015-09-24 |
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 |
|
ISSN |
1098-0121; 1550-235x |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
21 |
Open Access |
|
Notes |
; This work was financially supported by CNPq, under contract NanoBioEstruturas 555183/2005-0, PRONEX/FUNCAP, CAPES Foundation under the process number BEX 7178/13-1, the Flemish Science Foundation (FWO-Vl), the Bilateral programme between CNPq and FWO-Vl, and the Brazilian Program Science Without Borders (CsF). ; |
Approved |
Most recent IF: 3.836; 2015 IF: 3.736 |
Call Number |
UA @ lucian @ c:irua:128726 |
Serial |
4173 |
Permanent link to this record |
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Author |
Peymanirad, F.; Neek Amal, M.; Beheshtian, J.; Peeters, F.M. |
Title |
Graphene-silicene bilayer : a nanocapacitor with permanent dipole and piezoelectricity effect |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
92 |
Issue |
92 |
Pages |
155113 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Using density functional theory, we study the electronic properties of a graphene-silicene bilayer (GSB). A single layer of silicene binds to the graphene layer with adhesion energy of about 25 meV/atom. This adhesion energy between the two layers follows accurately the well-known -1/z(2) dispersion energy as found between two infinite parallel plates. In small flakes of GSB with hydrogenated edges, negative charge is transferred from the graphene layer to the silicene layer, producing a permanent and a switchable polar bilayer, while in an infinite GSB, the negative charge is transferred from the silicene layer to the graphene layer. The graphene-silicene bilayer is a good candidate for a nanocapacitor with piezoelectric capabilities. We found that the permanent dipole of the bilayer can be tuned by an external perpendicular electric field. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lancaster, Pa |
Editor |
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Language |
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Wos |
000362493400002 |
Publication Date |
2015-10-09 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1098-0121; 1550-235x |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
17 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.836; 2015 IF: 3.736 |
Call Number |
UA @ lucian @ c:irua:128762 |
Serial |
4188 |
Permanent link to this record |
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Author |
Kang, J.; Horzum, S.; Peeters, F.M. |
Title |
Heterostructures of graphene and nitrogenated holey graphene: Moire pattern and Dirac ring |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
92 |
Issue |
92 |
Pages |
195419 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Nitrogenated holey graphene (NHG) is a recently synthesized two-dimensional material. In this paper the structural and electronic properties of heterostructures of graphene and NHG are investigated using first-principles and tight-binding calculations. Due to the lattice mismatch between NHG and graphene, the formation of a moire pattern is preferred in the graphene/NHG heterostructure, instead of a lattice-coherent structure. In moire-patterned graphene/NHG, the band gap opening at the K point is negligible, and the linear band dispersion of graphene survives. Applying an electric field modifies the coupling strength between the two atomic layers. The Fermi velocity upsilon(F) is reduced as compared to the one of pristine graphene, and its magnitude depends on the twist angle theta between graphene and NHG: For theta = 0 degrees, upsilon(F) is 30% of that of graphene, and it increases rapidly to a value of 80% with increasing theta. The heterostructure exhibits electron-hole asymmetry in upsilon(F), which is large for small theta. In NHG encapsulated between two graphene layers, a “Dirac ring” appears around the K point. Its presence is robust with respect to the relative stacking of the two graphene layers. These findings can be useful for future applications of graphene/NHG heterostructures. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lancaster, Pa |
Editor |
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Language |
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Wos |
000364998000006 |
Publication Date |
2015-11-19 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1098-0121; 1550-235x |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
33 |
Open Access |
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Notes |
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Approved |
Most recent IF: 3.836; 2015 IF: 3.736 |
Call Number |
UA @ lucian @ c:irua:130266 |
Serial |
4189 |
Permanent link to this record |
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Author |
Zha, G.-Q.; Covaci, L.; Peeters, F.M.; Zhou, S.-P. |
Title |
Majorana zero-energy modes and spin current evolution in mesoscopic superconducting loop systems with spin-orbit interaction |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
92 |
Issue |
92 |
Pages |
094516 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The Majorana zero modes and persistent spin current in mesoscopic d-wave-superconducting loops with spin-orbit (SO) interaction are investigated by numerically solving the spin-generalized Bogoliubov-de Gennes equations self-consistently. For some appropriate strength of the SO coupling, Majorana zero-energy states and sharp jumps of the spin-polarized currents can be observed when the highest energy levels cross the Fermi energy in the spectrum, leading to spin currents with opposite chirality flowing near the inner and outer edges of the sample. When the threaded magnetic flux turns on, four flux-dependent patterns of the persistent spin current with step-like features show up, accompanied by Majorana edge modes at flux values where the energy gap closes. Moreover, the Majorana zero mode is highly influenced by the direction of the Zeeman field. A finite in-plane field can lead to the gap opening since the inversion symmetry is broken. Remarkably, multiple Majorana zero-energy states occur in the presence of an out-of-plane field h(z), and the number of steps in the spin current evolution can be effectively tuned by the field strength due to the shift of Majorana zero modes. Finally, when the loop sample contains surface indentation defects, zero-energy modes can always show up in the presence of an appropriate h(z). Interestingly, multiple Majorana states may be present in the system with a corner defect even if h(z) = 0. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lancaster, Pa |
Editor |
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Language |
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Wos |
000362081000002 |
Publication Date |
2015-09-30 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1098-0121; 1550-235x |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
11 |
Open Access |
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Notes |
; This work was supported by National Natural Science Foundation of China under Grants No. 61371020, No. 61271163, and No. 61571277, by the Visiting Scholar Program of Shanghai Municipal Education Commission, and by the Flemish Science Foundation (FWO-Vl). ; |
Approved |
Most recent IF: 3.836; 2015 IF: 3.736 |
Call Number |
UA @ lucian @ c:irua:132467 |
Serial |
4203 |
Permanent link to this record |
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Author |
Neek-Amal, M; Peeters, F.M. |
Title |
Partially hydrogenated and fluorinated graphene : structure, roughness, and negative thermal expansion |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
92 |
Issue |
92 |
Pages |
155430 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The structural properties of partially hydrogenated and fluorinated graphene with different percentages of H/F atoms are investigated using molecular dynamics simulations based on reactive force field (ReaxFF) potentials. We found that the roughness of graphene varies with the percentage (p) of H or F and in both cases is maximal around p = 50%. Similar results were obtained for partially oxidized graphene. The two-dimensional area size of partially fluorinated and hydrogenated graphene exhibits a local minimum around p = 35% coverage. The lattice thermal contraction in partially functionalized graphene is found to be one order of magnitude larger than that of fully covered graphene. We also show that the armchair structure for graphene oxide (similar to the structure of fully hydrogenated and fluorinated graphene) is unstable. Our results show that the structure of partially functionalized graphene changes nontrivially with the C : H and C : F ratio as well as with temperature. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lancaster, Pa |
Editor |
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Language |
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Wos |
000363294100005 |
Publication Date |
2015-10-23 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1098-0121; 1550-235x |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
5 |
Open Access |
|
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem Foundation of the Flemish Government. ; |
Approved |
Most recent IF: 3.836; 2015 IF: 3.736 |
Call Number |
UA @ lucian @ c:irua:129448 |
Serial |
4221 |
Permanent link to this record |
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Author |
Brito, B.G.A.; Candido, L.; Hai, G.-Q.; Peeters, F.M. |
Title |
Quantum effects in a free-standing graphene lattice : path-integral against classical Monte Carlo simulations |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
92 |
Issue |
92 |
Pages |
195416 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
In order to study quantum effects in a two-dimensional crystal lattice of a free-standing monolayer graphene, we have performed both path-integral Monte Carlo (PIMC) and classical Monte Carlo (MC) simulations for temperatures up to 2000 K. The REBO potential is used for the interatomic interaction. The total energy, interatomic distance, root-mean-square displacement of the atom vibrations, and the free energy of the graphene layer are calculated. The obtained lattice vibrational energy per atom from the classical MC simulation is very close to the energy of a three-dimensional harmonic oscillator 3k(B)T. The PIMC simulation shows that quantum effects due to zero-point vibrations are significant for temperatures T < 1000 K. The quantum contribution to the lattice vibrational energy becomes larger than that of the classical lattice for T < 400 K. The lattice expansion due to the zero-point motion causes an increase of 0.53% in the lattice parameter. A minimum in the lattice parameter appears at T similar or equal to 500 K. Quantum effects on the atomic vibration amplitude of the graphene lattice and its free energy are investigated. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lancaster, Pa |
Editor |
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Language |
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Wos |
000368095400004 |
Publication Date |
2015-11-13 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1098-0121; 1550-235x |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
22 |
Open Access |
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Notes |
; This research was supported by the Brazilian agencies FAPESP, FAPEG, and CNPq, the Flemish Science Foundation (FWO-Vl) and the Methusalem Foundation of the Flemish Government. ; |
Approved |
Most recent IF: 3.836; 2015 IF: 3.736 |
Call Number |
UA @ lucian @ c:irua:131144 |
Serial |
4232 |
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Author |
Sobrino Fernandez, M.; Misko, V.R.; Peeters, F.M. |
Title |
Self-assembly of Janus particles into helices with tunable pitch |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Physical review : E : statistical, nonlinear, and soft matter physics |
Abbreviated Journal |
Phys Rev E |
Volume |
92 |
Issue |
92 |
Pages |
042309 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Janus particles present an important class of building blocks for directional assembly. These are compartmentalized colloids with two different hemispheres. In this work we consider a three-dimensional model of Janus spheres that contain one hydrophobic and one charged hemisphere. Using molecular dynamics simulations, we study the morphology of these particles when confined in a channel-like environment. The interplay between the attractive and repulsive forces on each particle gives rise to a rich phase space where the relative orientation of each particle plays a dominant role in the formation of large-scale clusters. The interest in this system is primarily due to the fact that it could give a better understanding of the mechanisms of the formation of polar membranes. A variety of ordered membranelike morphologies is found consisting of single and multiple connected chain configurations. The helicity of these chains can be chosen by simply changing the salt concentration of the solution. Special attention is given to the formation of Bernal spirals. These helices are composed of regular tetrahedra and are known to exhibit nontrivial translational and rotational symmetry. |
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Corporate Author |
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Thesis |
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Publisher |
American Physical Society |
Place of Publication |
Melville, N.Y. |
Editor |
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Language |
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Wos |
000362903700004 |
Publication Date |
2015-10-15 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1539-3755; 1550-2376 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.366 |
Times cited |
18 |
Open Access |
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Notes |
; This work was supported by the Fund for Scientific Research Flanders (FWO) and by the “Odysseus” program of the Flemish government and FWO. ; |
Approved |
Most recent IF: 2.366; 2015 IF: 2.288 |
Call Number |
UA @ lucian @ c:irua:129416 |
Serial |
4241 |
Permanent link to this record |