Records |
Author |
Çakir, D.; Sevik, C.; Peeters, F.M. |
Title |
Engineering electronic properties of metal-MoSe2 interfaces using self-assembled monolayers |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Journal of materials chemistry C : materials for optical and electronic devices |
Abbreviated Journal |
J Mater Chem C |
Volume |
2 |
Issue |
46 |
Pages |
9842-9849 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Metallic contacts are critical components of electronic devices and the presence of a large Schottky barrier is detrimental for an optimal device operation. Here, we show by using first-principles calculations that a self-assembled monolayer (SAM) of polar molecules between the metal electrode and MoSe2 monolayer is able to convert the Schottky contact into an almost Ohmic contact. We choose -CH3 and -CF3 terminated short-chain alkylthiolate (i.e. SCH3 and fluorinated alkylthiolates (SCF3)) based SAMs to test our approach. We consider both high (Au) and low (Sc) work function metals in order to thoroughly elucidate the role of the metal work function. In the case of Sc, the Fermi level even moves into the conduction band of the MoSe2 monolayer upon SAM insertion between the metal surface and the MoSe2 monolayer, and hence possibly switches the contact type from Schottky to Ohmic. The usual Fermi level pinning at the metal-transition metal dichalcogenide (TMD) contact is shown to be completely removed upon the deposition of a SAM. Systematic analysis indicates that the work function of the metal surface and the energy level alignment between the metal electrode and the TMD monolayer can be tuned significantly by using SAMs as a buffer layer. These results clearly indicate the vast potential of the proposed interface engineering to modify the physical and chemical properties of MoSe2. |
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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 |
000344998700007 |
Publication Date |
2014-10-16 |
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 |
2050-7526;2050-7534; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
5.256 |
Times cited |
22 |
Open Access |
|
Notes |
; Part of this work is supported by the Flemish Science Foundation (FWO-VI) and the Methusalem foundation of the Flemish Government. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). D. C. is supported by a FWO Pegasus-short Marie Curie Fellowship. C. S. acknowledges the support from Scientific and Technological Research Council of Turkey (TUBITAK 113F096), Anadolu University (BAP-1306F281, -1404F158) and Turkish Academy of Science (TUBA). ; |
Approved |
Most recent IF: 5.256; 2014 IF: 4.696 |
Call Number |
UA @ lucian @ c:irua:122157 |
Serial |
1046 |
Permanent link to this record |
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Author |
Geurts, R.; Milošević, M.V.; Albino Aguiar, J.; Peeters, F.M. |
Title |
Enhanced stability of vortex-antivortex states in two-component mesoscopic superconductors |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
87 |
Issue |
2 |
Pages |
024501-24508 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Using the Ginzburg-Landau (GL) theory, we calculate the stability of sample symmetry-induced vortex-antivortex molecules in a mesoscopic superconducting bilayer exposed to a homogeneous magnetic field. We demonstrate the conditions under which the two condensates cooperatively broaden the field-temperature stability range of the composite (joint) vortex-antivortex state. In cases when such broadening is not achieved, a reentrance of the vortex-antivortex state is found at lower temperatures. In a large portion of the phase diagram noncomposite states are possible, in which the antivortex is present in only one of the layers. In this case, we demonstrate that the vortex-antivortex molecule in one of the layers can be pinned and enlarged by interaction with a vortex molecule in the other. Using analogies in the respective GL formalisms, we map our findings for the bilayer onto mesoscopic two-band superconductors. |
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 |
000313029800003 |
Publication Date |
2013-01-04 |
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 |
25 |
Open Access |
|
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vlaanderen), the Brazilian science agencies FACEPE/CNPq under Grant No. APQ-0589-1.05/08 and CNPq under Grant No. 309832/2007-1, and the CNPq-FWO cooperation program under Grant No. 490681/2010-7. M.V.M. acknowledges support from the CAPES-PVE program. ; |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
Call Number |
UA @ lucian @ c:irua:105925 |
Serial |
1058 |
Permanent link to this record |
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Author |
Badalyan, S.M.; Peeters, F.M. |
Title |
Enhancement of Coulomb drag in double-layer graphene structures by plasmons and dielectric background inhomogeneity |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
86 |
Issue |
12 |
Pages |
121405 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The drag of massless fermions in graphene double-layer structures is investigated over a wide range of temperatures and interlayer separations. We show that the inhomogeneity of the dielectric background in such graphene structures, for experimentally relevant parameters, results in a significant enhancement of the drag resistivity. At intermediate temperatures the dynamical screening via plasmon-mediated drag enhances the drag resistivity and results in an upturn in its behavior at large interlayer separations. In a range of interlayer separations, corresponding to the crossover from strong to weak coupling of graphene layers, we find that the decrease of the drag resistivity with interlayer spacing is approximately quadratic. This dependence weakens below this range of interlayer spacing while for larger separations we find a cubic (quartic) dependence at intermediate (low) temperatures. |
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 |
000309178100003 |
Publication Date |
2012-09-21 |
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 |
21 |
Open Access |
|
Notes |
; We acknowledge support from the Flemisch Science Foundation (FWO-Vl) and the Belgian Science Policy (BELSPO). ; |
Approved |
Most recent IF: 3.836; 2012 IF: 3.767 |
Call Number |
UA @ lucian @ c:irua:101834 |
Serial |
1060 |
Permanent link to this record |
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Author |
Vodolazov, D.Y.; Peeters, F.M. |
Title |
Enhancement of the retrapping current of superconducting microbridges of finite length |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
85 |
Issue |
2 |
Pages |
024508-024508,6 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
We theoretically find that the resistance of a superconducting microbridge or nanowire decreases while the retrapping current I(r) for the transition to the superconducting state increases when one suppresses the magnitude of the order parameter vertical bar Delta vertical bar in the attached superconducting leads. This effect is a consequence of the increased energy interval for diffusion of the “hot” nonequilibrium quasiparticles (induced by the oscillations of vertical bar Delta vertical bar in the center of the microbridge) to the leads. The effect is absent in short microbridges (with length less than the coherence length) and it is relatively weak in long microbridges (with length larger than the inelastic relaxation length of the nonequilibrium distribution function). A nonmonotonous dependence of I(r) on the length of the microbridge is predicted. Our results are important for the explanation of the enhancement of the critical current and the appearance of negative magnetoresistance observed in many recent experiments on superconducting microbridges or nanowires. |
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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 |
000298863400005 |
Publication Date |
2012-01-06 |
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 |
7 |
Open Access |
|
Notes |
; This work was supported by the Russian Foundation for Basic Research, Russian Agency of Education, under the Federal Target Programme “Scientific and Educational Personnel of Innovative Russia in 2009-2013” and the Flemish Science Foundation (FWO-Vl). ; |
Approved |
Most recent IF: 3.836; 2012 IF: 3.767 |
Call Number |
UA @ lucian @ c:irua:96235 |
Serial |
1065 |
Permanent link to this record |
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Author |
Misko, V.R.; Bothner, D.; Kemmler, M.; Kleiner, R.; Koelle, D.; Peeters, F.M.; Nori, F. |
Title |
Enhancing the critical current in quasiperiodic pinning arrays below and above the matching magnetic flux |
Type |
A1 Journal article |
Year |
2010 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
82 |
Issue |
18 |
Pages |
184512-184512,7 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Quasiperiodic pinning arrays, as recently demonstrated theoretically and experimentally using a fivefold Penrose tiling, can lead to a significant enhancement of the critical current Ic as compared to traditional regular pinning arrays. However, while regular arrays showed only a sharp peak in Ic(Φ) at the matching flux Φ1 and quasiperiodic arrays provided a much broader maximum at Φ<Φ1, both types of pinning arrays turned out to be inefficient for fluxes larger than Φ1. We demonstrate theoretically and experimentally the enhancement of Ic(Φ) for Φ>Φ1 by using non-Penrose quasiperiodic pinning arrays. This result is based on a qualitatively different mechanism of flux pinning by quasiperiodic pinning arrays and could be potentially useful for applications in superconducting microelectronic devices operating in a broad range of magnetic fields. |
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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 |
000283923400006 |
Publication Date |
2010-11-08 |
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 |
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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 |
; This work was supported by the “Odysseus” Program of the Flemish Government and the Flemish Science Foundation (FWO-Vl), the Interuniversity Attraction Poles (IAP) Programme-Belgian State-Belgian Science Policy, the FWO-Vl, and by the DFG via SFB/TRR21. V. R. M. is grateful to the FWO-Vl for the support of the research stay at the DML (ASI, RIKEN), and to F. N. for hospitality. M. K. gratefully acknowledges support from the Carl-Zeiss-Stiftung, and D. B. from the Evangelisches Studienwerk e.V. Villigst. F. N. acknowledges partial support from the Laboratory of Physical Sciences, National Security Agency, Army Research Office, DARPA, AFOSR, National Science Foundation under Grant No. 0726909, JSPS-RFBR under Contract No. 09-02-92114, Grant-in-Aid for Scientific Research (S), MEXT Kakenhi on Quantum Cybernetics, and Funding Program for Innovative R&D on S&T (FIRST). ; |
Approved |
Most recent IF: 3.836; 2010 IF: 3.774 |
Call Number |
UA @ lucian @ c:irua:85800 |
Serial |
1066 |
Permanent link to this record |
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Author |
Chen, B.; Sahin, H.; Suslu, A.; Ding, L.; Bertoni, M.I.; Peeters, F.M.; Tongay, S. |
Title |
Environmental changes in MoTe2 excitonic dynamics by defects-activated molecular interaction |
Type |
A1 Journal article |
Year |
2015 |
Publication |
ACS nano |
Abbreviated Journal |
Acs Nano |
Volume |
9 |
Issue |
9 |
Pages |
5326-5332 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
Abstract |
Monolayers of group VI transition metal dichalcogenides possess direct gaps in the visible spectrum with the exception of MoTe2, where its gap is suitably located in the infrared region but its stability is of particular interest, as tellurium compounds are acutely sensitive to oxygen exposure. Here, our environmental (time-dependent) measurements reveal two distinct effects on MoTe2 monolayers: For weakly luminescent monolayers, photoluminescence signal and optical contrast disappear, as if they are decomposed, but yet remain intact as evidenced by AFM and Raman measurements. In contrast, strongly luminescent monolayers retain their optical contrast for a prolonged amount of time, while their PL peak blue-shifts and PL intensity saturates to slightly lower values. Our X-ray photoelectron spectroscopy measurements and DFT calculations suggest that the presence of defects and functionalization of these defect sites with O-2 molecules strongly dictate their material properties and aging response by changing the excitonic dynamics due to deep or shallow states that are created within the optical band gap. Presented results not only shed light on environmental effects on fundamental material properties and excitonic dynamics of MoTe2 monolayers but also highlight striking material transformation for metastable 20 systems such as WTe2, silicone, and phosphorene. |
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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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Language |
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Wos |
000355383000068 |
Publication Date |
2015-04-14 |
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 |
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ISSN |
1936-0851;1936-086X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
13.942 |
Times cited |
150 |
Open Access |
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Notes |
; This work was supported by the Arizona State University seeding program. The authors thank Hui Cai and Kedi Wu for useful discussions. We gratefully acknowledge the use of facilities at the LeRoy Eyring Center for Solid State Science at Arizona State University. This work was supported by the Flemish Science Foundation (FWO-VI) and the Methusalem Foundation of the Flemish government. H.S. is supported by a FWO Pegasus Long Marie Curie Fellowship. ; |
Approved |
Most recent IF: 13.942; 2015 IF: 12.881 |
Call Number |
c:irua:126441 |
Serial |
1068 |
Permanent link to this record |
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Author |
Dixit, H.; Tandon, N.; Cottenier, S.; Saniz, R.; Lamoen, D.; Partoens, B. |
Title |
Erratum : First-principles study of possible shallow donors in ZnAl2O4 spinel [Phys. Rev. B 87, 174101 (2013)] |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
88 |
Issue |
5 |
Pages |
059905-2 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
Abstract |
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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 |
000323572600009 |
Publication Date |
2013-08-27 |
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 |
1 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
Call Number |
UA @ lucian @ c:irua:110015 |
Serial |
1080 |
Permanent link to this record |
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Author |
Saniz, R.; Barbiellini, B.; Denison, A.B.; Bansil, A. |
Title |
Erratum: Spontaneous magnetization and electron momentum density in three-dimensional quantum dots [Phys. Rev. B 68, 165326 (2003)] |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
84 |
Issue |
11 |
Pages |
119907 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000295263600015 |
Publication Date |
2011-09-28 |
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 |
Impact Factor |
3.836 |
Times cited |
|
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 3.836; 2011 IF: 3.691 |
Call Number |
UA @ lucian @ c:irua:92919 |
Serial |
1081 |
Permanent link to this record |
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Author |
Shi, J.; Peeters, F.M.; Edmonds, K.W.; Gallagher, B.L. |
Title |
Even-odd transition in the Shubnikov-de Haas oscillations in a two-dimensional electron gas subjected to periodic magnetic and electric modulations |
Type |
A1 Journal article |
Year |
2002 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
66 |
Issue |
3 |
Pages |
035328-035328,9 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
We investigate low-temperature magnetotransport of high-mobility two-dimensional electron gases subjected to one-dimensional periodic magnetic and electric modulations. Our previous quantum perturbation theory is extended to lower temperatures and the energy broadening due to impurity scattering is incorporated. Numerical calculations are made for situations where several Landau bands overlap. We find that the Shubnikov-de Haas (SdH) oscillations are dominated by collisional resistance. The amplitudes of the SdH oscillations are strongly modulated and the positions of the SdH minima switch between even and odd Landau-level filling factors, in the resistance both parallel and perpendicular to the one-dimensional modulation. This is a consequence of the internal structure (i.e., smeared out van Hove singularities) of overlapping Landau bands. Our theoretical results are in good agreement with recent experiments. |
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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 |
000177338500090 |
Publication Date |
2002-10-01 |
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 |
0163-1829;1095-3795; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
32 |
Open Access |
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Notes |
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Approved |
Most recent IF: 3.836; 2002 IF: NA |
Call Number |
UA @ lucian @ c:irua:94918 |
Serial |
1091 |
Permanent link to this record |
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Author |
Tadić, M.; Čukarić, N.; Arsoski, V.; Peeters, F.M. |
Title |
Excitonic Aharonov-Bohm effect : unstrained versus strained type-I semiconductor nanorings |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
84 |
Issue |
12 |
Pages |
125307-125307,13 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
We study how mechanical strain affects the magnetic field dependence of the exciton states in type-I semiconductor nanorings. Strain spatially separates the electron and hole in (In,Ga)As/GaAs nanorings which is beneficial for the occurrence of the excitonic Aharonov-Bohm (AB) effect. In narrow strained (In,Ga)As/GaAs nanorings the AB oscillations in the exciton ground-state energy are due to anticrossings with the first excited state. No such AB oscillations are found in unstrained GaAs/(Al,Ga)As nanorings irrespective of the ring width. Our results are obtained within an exact numerical diagonalization scheme and are shown to be accurately described by a two-level model with off-diagonal coupling t. The later transfer integral expresses the Coulomb coupling between states of electron-hole pairs. We also found that the oscillator strength for exciton recombination in (In,Ga)As/GaAs nanorings exhibits AB oscillations, which are superimposed on a linear increase with magnetic field. Our results agree qualitatively with recent experiments on the excitonic Aharonov-Bohm effect in type-I (In,Ga)As/GaAs nanorings. |
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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 |
000294777400013 |
Publication Date |
2011-09-09 |
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 |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
13 |
Open Access |
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Notes |
; This work was supported by the Ministry of Education and Science of Serbia, the Flemish Science Foundation (FWO-Vl), the EU NoE: SANDiE, and the Belgian Science Policy (IAP). The calculations were performed on the CalcUA and Seastar computer clusters of the University of Antwerp. ; |
Approved |
Most recent IF: 3.836; 2011 IF: 3.691 |
Call Number |
UA @ lucian @ c:irua:92326 |
Serial |
1122 |
Permanent link to this record |
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Author |
Vagov, A.V.; Shanenko, A.A.; Milošević, M.V.; Axt, V.M.; Peeters, F.M. |
Title |
Extended Ginzburg-Landau formalism : systematic expansion in small deviation from the critical temperature |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
85 |
Issue |
1 |
Pages |
014502-014502,17 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Based on the Gor'kov formalism for a clean s-wave superconductor, we develop an extended version of the single-band Ginzburg-Landau (GL) theory by means of a systematic expansion in the deviation from the critical temperature T(c), i.e., tau = 1 – T/T(c). We calculate different contributions to the order parameter and the magnetic field: the leading contributions (proportional to tau(1/2) in the order parameter and. t in the magnetic field) are controlled by the standard GL theory, while the next-to-leading terms (proportional to tau(3/2) in the gap and proportional to tau(2) in the magnetic field) constitute the extended GL (EGL) approach. We derive the free-energy functional for the extended formalism and the corresponding expression for the current density. To illustrate the usefulness of our formalism, we calculate, in a semianalytical form, the temperature-dependent correction to the GL parameter at which the surface energy becomes zero, and analytically, the temperature dependence of the thermodynamic critical field. We demonstrate that the EGL formalism is not just a mathematical extension to the theory: variations of both the gap and the thermodynamic critical field with temperature calculated within the EGL theory are found in very good agreement with the full BCS results down to low temperatures, which dramatically improves the applicability of the formalism compared to its standard predecessor. |
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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 |
000298985100002 |
Publication Date |
2012-01-10 |
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 |
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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 |
36 |
Open Access |
|
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Belgian Science Policy (IAP). A. V. V. is grateful to V. Zalipaev for important comments. A. A. S. thanks W. Pogosov for helpful notes. Discussions with E. H. Brandt and A. Perali are appreciated. ; |
Approved |
Most recent IF: 3.836; 2012 IF: 3.767 |
Call Number |
UA @ lucian @ c:irua:96232 |
Serial |
1155 |
Permanent link to this record |
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Author |
Barbier, M.; Vasilopoulos, P.; Peeters, F.M. |
Title |
Extra Dirac points in the energy spectrum for superlattices on single-layer graphene |
Type |
A1 Journal article |
Year |
2010 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
81 |
Issue |
7 |
Pages |
075438,1-075438,7 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
We investigate the emergence of extra Dirac points in the electronic structure of a periodically spaced barrier system, i.e., a superlattice, on single-layer graphene, using a Dirac-type Hamiltonian. Using square barriers allows us to find analytic expressions for the occurrence and location of these new Dirac points in k space and for the renormalization of the electron velocity near them in the low-energy range. In the general case of unequal barrier and well widths the new Dirac points move away from the Fermi level and for given heights of the potential barriers there is a minimum and maximum barrier width outside of which the new Dirac points disappear. The effect of these extra Dirac points on the density of states and on the conductivity 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 |
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Editor |
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Language |
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Wos |
000274998200133 |
Publication Date |
2010-02-25 |
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 |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
211 |
Open Access |
|
Notes |
; This work was supported by IMEC, the Flemish Science Foundation (FWO-Vl), the Belgian Science Policy (IAP), the Brazilian Council for Research (CNPq), and the Canadian NSERC Grant No. OGP0121756. ; |
Approved |
Most recent IF: 3.836; 2010 IF: 3.774 |
Call Number |
UA @ lucian @ c:irua:81767 |
Serial |
1159 |
Permanent link to this record |
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Author |
Masir, M.R.; Vasilopoulos, P.; Peeters, F.M. |
Title |
Fabry-Pérot resonances in graphene microstructures: influence of a magnetic field |
Type |
A1 Journal article |
Year |
2010 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
82 |
Issue |
11 |
Pages |
115417-115417,12 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Fabry-Pérot resonances in the transmission through single and double, graphene-based barriers (of height V) and wells are investigated and their dependence on an applied perpendicular magnetic field. For rectangular barriers the conductance decreases with increasing magnetic field while the resonances weaken (become more pronounced) with increasing magnetic field for EF<V (EF>V). The position of the resonances exhibit a linear shift with magnetic field which move to lower (higher) energy for EF<V (EF>V). Compared to semielliptic- or Gaussian-shaped barriers they show a smaller number of resonances in the absence of a magnetic field and an overall lower conductance but the resonant structure is more pronounced. The conductance of asymmetric double barriers show two major regions of resonances while the symmetric ones show one, that of three asymmetric barriers three, and so on. |
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 |
000281723100007 |
Publication Date |
2010-09-10 |
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 |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
74 |
Open Access |
|
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl), the Belgian Science Policy (IAP) and the Canadian NSERC under Grant No. OGP0121756. ; |
Approved |
Most recent IF: 3.836; 2010 IF: 3.774 |
Call Number |
UA @ lucian @ c:irua:84871 |
Serial |
1167 |
Permanent link to this record |
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Author |
Nowak, M.P.; Szafran, B.; Peeters, F.M. |
Title |
Fano resonances and electron spin transport through a two-dimensional spin-orbit-coupled quantum ring |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
84 |
Issue |
23 |
Pages |
235319-235319,8 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Electron transport through a spin-orbit-coupled quantum ring is investigated within linear response theory. We show that the finite width of the ring results in the appearance of Fano resonances in the conductance. This turns out to be a consequence of the spin-orbit interaction that leads to a breaking of the parity of the states localized in the ring. The resonances appear when the system is close to maxima of Aharonov-Casher conductance oscillations where spin transfer is heavily modified. When the spin-orbit coupling strength is detuned from the Aharonov-Casher maxima the resonances are broadened resulting in a dependence of the spin transport on the electron Fermi energy in contrast to predictions from one-dimensional models. |
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 |
000298605700002 |
Publication Date |
2011-12-29 |
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 |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
19 |
Open Access |
|
Notes |
; This work was supported by the “Krakow Interdisciplinary PhD Project in Nanoscience and Advanced Nanostructures” operated within the Foundation for Polish Science MPD Programme cofinanced by the EU European Regional Development Fund, Project No. N N202103938 supported by the Ministry of Science and Higher Education (MNiSW) for 2010-2013, the Belgian Science Policy (IAP), and the Flemish Science Foundation (FWO-V1). This research was supported in part by PL-Grid Infrastructure. ; |
Approved |
Most recent IF: 3.836; 2011 IF: 3.691 |
Call Number |
UA @ lucian @ c:irua:94292 |
Serial |
1171 |
Permanent link to this record |
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Author |
Petrovic, M.D.; Peeters, F.M. |
Title |
Fano resonances in the conductance of graphene nanoribbons with side gates |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
91 |
Issue |
91 |
Pages |
035444 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The control of side gates on the quantum electron transport in narrow graphene ribbons of different widths and edge types (armchair and zigzag) is investigated. The conductance exhibits Fano resonances with varying side gate potential. Resonant and antiresonant peaks in the conductance can be associated with the eigenstates of a closed system, and these peaks can be accurately fitted with a Fano line shape. The local density of states (LDOS) and the electron current show a specific behavior at these resonances, which depends on the ribbon edge type. In zigzag ribbons, transport is dominated by intervalley scattering, which is reflected in the transmission functions of individual modes. The side gates induce p-n interfaces near the edges at which the LDOS exhibits peaks. Near the resonance points, the electron current flows uniformly through the constriction, while near the antiresonances it creates vortices. In the armchair ribbons the LDOS spreads in areas of high potential, with current flowing near the edges. |
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 |
000351217900005 |
Publication Date |
2015-01-30 |
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 |
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 |
; This work was supported by the Methusalem programme of the Flemish government. ; |
Approved |
Most recent IF: 3.836; 2015 IF: 3.736 |
Call Number |
c:irua:125422 |
Serial |
1172 |
Permanent link to this record |
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Author |
Anisimovas, E.; Peeters, F.M. |
Title |
Few-particle states in coupled electron-hole quantum dots |
Type |
P1 Proceeding |
Year |
2003 |
Publication |
Functions II |
Abbreviated Journal |
|
Volume |
|
Issue |
|
Pages |
330-337 |
Keywords |
P1 Proceeding; Condensed Matter Theory (CMT) |
Abstract |
We apply the exact diagonalization technique to calculate the ground and excited states of a bipolar artificial molecule composed of two vertically coupled quantum dots containing different types of carriers electrons and holes in equilibrium. In this system, the magnetic field tunes the relative role of intra-dot Coulomb interaction while the inter-dot separation sets the strength of inter-dot correlations. We find an intricate pattern of the switching of the ground-state angular momentum with increasing magnetic field and a rearrangement of approximate single-particle levels as a function of the inter-dot coupling strength. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Language |
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Wos |
000229502400029 |
Publication Date |
2007-11-07 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
|
ISBN |
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Additional Links |
UA library record; WoS full record |
Impact Factor |
|
Times cited |
|
Open Access |
|
Notes |
|
Approved |
Most recent IF: NA |
Call Number |
UA @ lucian @ c:irua:103838 |
Serial |
1186 |
Permanent link to this record |
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Author |
Ludu, A. |
Title |
Fiber bundle description of flow and nonlinear hydrodynamics on circles |
Type |
A1 Journal article |
Year |
2008 |
Publication |
Journal of nonlinear mathematical physics |
Abbreviated Journal |
J Nonlinear Math Phy |
Volume |
15 |
Issue |
|
Pages |
157-170 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
We introduce a differential geometry description of the path lines, stream lines and particles contours in hydrodynamics. We present a generalized form of a Korteweg-de Vries type of equation for the exterior of a circle. Nonlinearities from the boundary conditions, surface tension and the Euler equations are taken into account, but the flow is considered inviscid and irrotational. For the circular case we describe the traveling waves shapes, solitons and the particles trajectories. |
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 |
000263517200012 |
Publication Date |
2008-09-05 |
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 |
1402-9251;1776-0852; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
0.986 |
Times cited |
1 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 0.986; 2008 IF: 0.760 |
Call Number |
UA @ lucian @ c:irua:94603 |
Serial |
1189 |
Permanent link to this record |
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Author |
Esfahani, D.N.; Covaci, L.; Peeters, F.M. |
Title |
Field effect on surface states in a doped Mott-insulator thin film |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
87 |
Issue |
3 |
Pages |
035131-35136 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Surface effects of a doped thin film made of a strongly correlated material are investigated both in the absence and presence of a perpendicular electric field. We use an inhomogeneous Gutzwiller approximation for a single-band Hubbard model in order to describe correlation effects. For low doping, the bulk value of the quasiparticle weight is recovered exponentially deep into the slab, but with increasing doping, additional Friedel oscillations appear near the surface. We show that the inverse correlation length has a power-law dependence on the doping level. In the presence of an electrical field, considerable changes in the quasiparticle weight can be realized throughout the system. We observe a large difference (as large as five orders of magnitude) in the quasiparticle weight near the opposite sides of the slab. This effect can be significant in switching devices that use the surface states for transport. DOI: 10.1103/PhysRevB.87.035131 |
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 |
000313941000001 |
Publication Date |
2013-01-29 |
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 |
4 |
Open Access |
|
Notes |
; This work was supported by the Flemish Science Foundation (FWO-VI). ; |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
Call Number |
UA @ lucian @ c:irua:110086 |
Serial |
1190 |
Permanent link to this record |
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Author |
Leenaerts, O.; Sahin, H.; Partoens, B.; Peeters, F.M. |
Title |
First-principles investigation of B- and N-doped fluorographene |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
88 |
Issue |
3 |
Pages |
035434-35435 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The effect of substitutional doping of fluorographene with boron and nitrogen atoms on its electronic and magnetic properties is investigated using first-principles calculations. It is found that boron dopants can be readily incorporated in the fluorographene crystal where they act as shallow acceptors and cause hole doping, but no changes in the magnetic properties are observed. Nitrogen dopants act as deep donors and give rise to a magnetic moment, but the resulting system becomes chemically unstable. These results are opposite to what was found for substitutional doping of graphane, i.e., hydrogenated graphene, in which case B substituents induce magnetism and N dopants do not. |
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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 |
000322083700002 |
Publication Date |
2013-07-22 |
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 |
16 |
Open Access |
|
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem program of the Flemish government. H.S. is supported by a FWO Pegasus-long Marie Curie Fellowship. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure), and the HPC infrastructure of the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Center VSC. ; |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
Call Number |
UA @ lucian @ c:irua:109807 |
Serial |
1210 |
Permanent link to this record |
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Author |
Leenaerts, O.; Peelaers, H.; Hernández-Nieves, A.D.; Partoens, B.; Peeters, F.M. |
Title |
First-principles investigation of graphene fluoride and graphane |
Type |
A1 Journal article |
Year |
2010 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
82 |
Issue |
19 |
Pages |
195436,1-195436,6 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Different stoichiometric configurations of graphane and graphene fluoride are investigated within density-functional theory. Their structural and electronic properties are compared, and we indicate the similarities and differences among the various configurations. Large differences between graphane and graphene fluoride are found that are caused by the presence of charges on the fluorine atoms. A configuration that is more stable than the boat configuration is predicted for graphene fluoride. We also perform GW calculations for the electronic band gap of both graphene derivatives. These band gaps and also the calculated Youngs moduli are at variance with available experimental data. This might indicate that the experimental samples contain a large number of defects or are only partially covered with H or F. |
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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 |
000284399200004 |
Publication Date |
2010-11-18 |
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 |
367 |
Open Access |
|
Notes |
; This work was supported by the Flemish Science Foundation (FWO-V1), the NOI-BOF of the University of Antwerp, the Belgian Science Policy (IAP), and the collaborative project FWO-MINCyT (Grant No. FW/08/01). A.D.H. also acknowledges support from ANPCyT (Grant No. PICT 2008-2236). ; |
Approved |
Most recent IF: 3.836; 2010 IF: 3.774 |
Call Number |
UA @ lucian @ c:irua:86916 |
Serial |
1212 |
Permanent link to this record |
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Author |
Peelaers, H.; Partoens, B.; Peeters, F.M. |
Title |
First-principles study of doped Si and Ge nanowires |
Type |
A1 Journal article |
Year |
2008 |
Publication |
Physica. E: Low-dimensional systems and nanostructures |
Abbreviated Journal |
Physica E |
Volume |
40 |
Issue |
6 |
Pages |
2169-2171 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000255717400123 |
Publication Date |
2007-12-05 |
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 |
1386-9477; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.221 |
Times cited |
7 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 2.221; 2008 IF: 1.230 |
Call Number |
UA @ lucian @ c:irua:69134 |
Serial |
1217 |
Permanent link to this record |
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Author |
Dixit, H.; Tandon, N.; Cottenier, S.; Saniz, R.; Lamoen, D.; Partoens, B. |
Title |
First-principles study of possible shallow donors in ZnAl2O4 spinel |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
87 |
Issue |
17 |
Pages |
174101-174107 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
Abstract |
ZnAl2O4 (gahnite) is a ceramic which is considered a possible transparent conducting oxide (TCO) due to its wide band gap and transparency for UV. Defects play an important role in controlling the conductivity of a TCO material along with the dopant, which is the main source of conductivity in an otherwise insulating oxide. A comprehensive first-principles density functional theory study for point defects in ZnAl2O4 spinel is presented using the Heyd, Scuseria, and Ernzerhof hybrid functional (HSE06) to overcome the band gap problem. We have investigated the formation energies of intrinsic defects which include the Zn, Al, and O vacancy and the antisite defects: Zn at the Al site (ZnAl) and Al at the Zn site (AlZn). The antisite defect AlZn has the lowest formation energy and acts as a shallow donor, indicating possible n-type conductivity in ZnAl2O4 spinel by Al doping. |
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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 |
000318653300001 |
Publication Date |
2013-05-08 |
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 |
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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 |
50 |
Open Access |
|
Notes |
Iwt; Fwo |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
Call Number |
UA @ lucian @ c:irua:108769 |
Serial |
1219 |
Permanent link to this record |
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Author |
Berger, J.; Milošević, M.V. |
Title |
Fluctuations in superconducting rings with two order parameters |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
84 |
Issue |
21 |
Pages |
214515-214515,9 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Motivated by two-band superconductivity in, e.g., borides and pnictides, starting from the two-band Ginzburg-Landau energy functional, we discuss how the presence of two order parameters and the coupling between them influence a superconducting ring in the fluctuative regime. Our method is an extension of the von OppenRiedel formalism for rings; it is exact, but requires numerical implementation. We also study approximations for which analytic expressions can be obtained, and check their ranges of validity. We provide estimates for the temperature ranges where fluctuations are important, calculate the persistent current in MgB2 rings as a function of temperature and enclosed flux, and point out its additional dependence on the cross-section area of the wire from which the ring is made. We find temperature regions in which fluctuations enhance the persistent currents and regions where they inhibit the persistent current. The presence of two order parameters that can fluctuate independently always leads to larger averages of the order parameters at Tc, but yields larger persistent current only for appropriate parameters. In cases of very different material parameters for the two coupled condensates, the persistent current is inhibited. |
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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 |
000297932500004 |
Publication Date |
2011-12-12 |
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 |
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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 |
7 |
Open Access |
|
Notes |
; This research was supported by the Israel Science Foundation, Grant No. 249/10, the Flemish Science Foundation (FWO-Vl), and the ESF network INSTANS. We are grateful to Andrei Varlamov and Felix von Oppen for their answers to our enquiries. ; |
Approved |
Most recent IF: 3.836; 2011 IF: 3.691 |
Call Number |
UA @ lucian @ c:irua:93957 |
Serial |
1226 |
Permanent link to this record |
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Author |
Berdiyorov, G.R.; Hernández-Nieves, A.D.; Milošević, M.V.; Peeters, F.M.; Dominguez, D. |
Title |
Flux-quantum-discretized dynamics of magnetic flux entry, exit, and annihilation in current-driven mesoscopic type-I superconductors |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
85 |
Issue |
9 |
Pages |
092502-092502,4 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
We study nonlinear flux dynamics in a current-carrying type-I superconductor. The stray magnetic field of the current induces the intermediate state, where nucleation of flux domains is discretized to a single fluxoid at a time, while their final shape (tubular or laminar), size, and nucleation rate depend on applied current and edge conditions. The current induces opposite flux domains on opposite sides of the sample, and subsequently drives them to annihilation-which is also discretized, as a sequence of vortex-antivortex pairs. The discretization of both nucleation and annihilation leaves measurable traces in the voltage across the sample and in locally probed magnetization. The reported dynamic phenomena thus provide an unambiguous proof of a flux quantum being the smallest building block of the intermediate state in type-I superconductors. |
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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 |
000301183000002 |
Publication Date |
2012-03-07 |
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 |
14 |
Open Access |
|
Notes |
; This work was supported by the Belgian Science Policy (IAP), the Flemish Science Foundation (FWO-Vl), and the collaborative project FWO-MINCyT (Project No. FW/08/01). G. R. B. and A. D. H acknowledge support from FWO-Vl. A. D. H. and D. D. acknowledge support from CONICET, CNEA, and ANPCyT (Grant No. PICT07-824). ; |
Approved |
Most recent IF: 3.836; 2012 IF: 3.767 |
Call Number |
UA @ lucian @ c:irua:97180 |
Serial |
1243 |
Permanent link to this record |
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Author |
Horzum, S.; Çakir, D.; Suh, J.; Tongay, S.; Huang, Y.-S.; Ho, C.-H.; Wu, J.; Sahin, H.; Peeters, F.M. |
Title |
Formation and stability of point defects in monolayer rhenium disulfide |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
89 |
Issue |
15 |
Pages |
155433 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Recently, rhenium disulfide (ReS2) monolayers were experimentally extracted by conventional mechanical exfoliation technique from as-grown ReS2 crystals. Unlike the well-known members of transition metal dichalcogenides (TMDs), ReS2 crystallizes in a stable distorted-1T structure and lacks an indirect to direct gap crossover. Here we present an experimental and theoretical study of the formation, energetics, and stability of the most prominent lattice defects in monolayer ReS2. Experimentally, irradiation with 3-MeV He+2 ions was used to break the strong covalent bonds in ReS2 flakes. Photoluminescence measurements showed that the luminescence from monolayers is mostly unchanged after highly energetic a particle irradiation. In order to understand the energetics of possible vacancies in ReS2 we performed systematic first-principles calculations. Our calculations revealed that the formation of a single sulfur vacancy has the lowest formation energy in both Re and S rich conditions and a random distribution of such defects are energetically more preferable. Sulfur point defects do not result in any spin polarization whereas the creation of Re-containing point defects induce magnetization with a net magnetic moment of 1-3 mu B. Experimentally observed easy formation of sulfur vacancies is in good agreement with first-principles calculations. |
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 |
000337301200009 |
Publication Date |
2014-04-28 |
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 |
130 |
Open Access |
|
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl), the bilateral project FWO-TUBITAK, and the Methusalem Foundation of the Flemish government. Computational resources were provided by TUBITAK ULAK-BIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H. S. was supported by a FWO Pegasus Long Marie Curie Fellowship. D. C. was supported by a FWO Pegasus-short Marie Curie Fellowship. ; |
Approved |
Most recent IF: 3.836; 2014 IF: 3.736 |
Call Number |
UA @ lucian @ c:irua:118410 |
Serial |
1250 |
Permanent link to this record |
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|
|
Author |
Van Duppen, B.; Peeters, F.M. |
Title |
Four-band tunneling in bilayer graphene |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
87 |
Issue |
20 |
Pages |
205427-10 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The conductance, the transmission, and the reflection probabilities through rectangular potential barriers and p-n junctions are obtained for bilayer graphene taking into account the four bands of the energy spectrum. We have evaluated the importance of the skew hopping parameters gamma(3) and gamma(4) to these properties and show that for energies E > gamma(1)/100 their effect is negligible. For high energies two modes of propagation exist and we investigate scattering between these modes. For perpendicular incidence both propagation modes are decoupled, and scattering between them is forbidden. This extends the concept of pseudospin as defined within the two-band approximation to a four-band model and corresponds to the (anti) symmetry of the wave functions under in-plane mirroring. New transmission resonances are found that appear as sharp peaks in the conductance which are absent in the two-band approximation. The application of an interlayer bias to the system (1) breaks the pseudospin structure, (2) opens a band gap that results in a distinct feature of suppressed transmission in the conductance, and (3) breaks the angular symmetry with respect to normal incidence in the transmission and reflection. |
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 |
000319282000002 |
Publication Date |
2013-05-21 |
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 |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
37 |
Open Access |
|
Notes |
; This work was supported by the European Science Foundation (ESF) under the EUROCORES Program Euro-GRAPHENE within the project CONGRAN, the Flemish Science Foundation (FWO-Vl) by an aspirant research grant to B. Van Duppen and the Methusalem Programme of the Flemish Government. ; |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
Call Number |
UA @ lucian @ c:irua:109001 |
Serial |
1269 |
Permanent link to this record |
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|
Author |
Michel, K.H. |
Title |
Free energy and orientational phase transition in solid C60 |
Type |
A1 Journal article |
Year |
1992 |
Publication |
Zeitschrift für Physik: B |
Abbreviated Journal |
|
Volume |
88 |
Issue |
|
Pages |
71-78 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
A1992JB10700009 |
Publication Date |
2005-04-28 |
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 |
33 |
Open Access |
|
Notes |
|
Approved |
no |
Call Number |
UA @ lucian @ c:irua:2967 |
Serial |
1275 |
Permanent link to this record |
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|
|
Author |
Theuns, T.; Michel, K.H. |
Title |
Free energy and structural phase transitions in mixed crystals: a microscopic derivation |
Type |
A1 Journal article |
Year |
1992 |
Publication |
Zeitschrift für Physik: B |
Abbreviated Journal |
|
Volume |
86 |
Issue |
|
Pages |
125-131 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
|
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 |
A1992GV45100019 |
Publication Date |
2005-03-26 |
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 |
1 |
Open Access |
|
Notes |
|
Approved |
no |
Call Number |
UA @ lucian @ c:irua:44748 |
Serial |
1276 |
Permanent link to this record |
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Author |
Tognalii, N.G.; Cortés, E.; Hernández-Nieves, A.D.; Carro, P.; Usaj, G.; Balseiro, C.A.; Vela, M.E.; Salvarezza, R.C.; Fainstein, A. |
Title |
From single to multiple Ag-layer modification of Au nanocavity substrates : a tunable probe of the chemical surface-enhanced Raman scattering mechanism |
Type |
A1 Journal article |
Year |
2011 |
Publication |
ACS nano |
Abbreviated Journal |
Acs Nano |
Volume |
5 |
Issue |
7 |
Pages |
5433-5443 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
We present experimental and computational results that enlighten the mechanisms underlying the chemical contribution to surface-enhanced Raman scattering (SERS). Gold void metallic arrays electrochemically covered either by a Ag monolayer or 10100 Ag layers were modified with a self-assembled monolayer of 4-mercaptopyridine as a molecular Raman probe displaying a rich and unexpected Raman response. A resonant increase of the Raman intensity in the red part of the spectrum is observed that cannot be related to plasmon excitations of the cavity-array. Notably, we find an additional 1020 time increase of the SERS amplification upon deposition of a single Ag layer on the Au substrate, which is, however, almost quenched upon deposition of 10 atomic layers. Further deposition of 100 atomic Ag layers results in a new increase of the SERS signal, consistent with the improved plasmonic efficiency of Ag bulk-like structures. The SERS response as a function of the Ag layer thickness is analyzed in terms of ab initio calculations and a microscopic model for the SERS chemical mechanism based on a resonant charge transfer process between the molecular HOMO state and the Fermi level in the metal surface. We find that a rearrangement of the electronic charge density related to the presence of the Ag monolayer in the Au/Ag/molecule complex causes an increase in the distance between the HOMO center of charge and the metallic image plane that is responsible for the variation of Raman enhancement between the studied substrates. Our results provide a general platform for studying the chemical contribution to SERS, and for enhancing the Raman efficiency of tailored Au-SERS templates through electrochemical modification with Ag films. |
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 |
000293035200019 |
Publication Date |
2011-06-15 |
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 |
|
ISSN |
1936-0851;1936-086X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
13.942 |
Times cited |
26 |
Open Access |
|
Notes |
; We acknowledge financial support from ANPCyT (Argentina, PICT08-1617, PICT08-2236, PICT06-621, PICT-CNPQ-08-0019, PAE 22711, PICT06-01061, PICT06-483) and Project CTQ2008-06017/BQU, Spain. N.G.T, E.C., A.D.H.N., R.C.S, G.U., C.A.B., and A.F. are also at CONICET. M.E.V. is a member of the research career of CIC BsAs. R.C.S., C.A.B., and A.F. are Guggenheim Foundation Fellows. We would like to thank Dr. M. H. Fonticelli for fruitful discussions on the electrochemical measurements and Dr. H. Pastoriza for the help with the SEM measurements. ; |
Approved |
Most recent IF: 13.942; 2011 IF: 11.421 |
Call Number |
UA @ lucian @ c:irua:91775 |
Serial |
1285 |
Permanent link to this record |
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Author |
Verberck, B.; Heresanu, V.; Rouziere, S.; Cambedouzou, J.; Launois, P.; Kovats, E.; Pekker, S.; Vliegenthart, G.A.; Michel, K.H.; Gompper, G. |
Title |
Fullerene-cubane : X-ray scattering experiments and Monte Carlo simulations |
Type |
A1 Journal article |
Year |
2008 |
Publication |
Fullerenes, nanotubes, and carbon nanostructures
T2 – 8th Biennial International Workshop on Fullerenes and Atomic Clusters, (IWFAC 2007), JUL 02-06, 2007, St Petersburg, RUSSIA |
Abbreviated Journal |
Fuller Nanotub Car N |
Volume |
16 |
Issue |
5-6 |
Pages |
293-300 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
Abstract |
We report single-crystal X-ray diffuse scattering measurements on C-60.C8H8 fullerene-cubane showing that the C-60 molecules are orientationally disordered at 300 and 150K and get ordered at low temperatures. Monte Carlo simulations provide further insight in the orientational behavior of both C-60 and C8H8 molecules; low-temperature molecular orientations are predicted. |
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 |
000259645200003 |
Publication Date |
2008-09-28 |
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 |
1536-383X;1536-4046; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.35 |
Times cited |
6 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 1.35; 2008 IF: 0.680 |
Call Number |
UA @ lucian @ c:irua:102640 |
Serial |
1295 |
Permanent link to this record |