|   | 
Details
   web
Records
Author Ghosh, S.; Tongay, S.; Hebard, A.F.; Sahin, H.; Peeters, F.M.
Title Ferromagnetism in stacked bilayers of Pd/C60 Type A1 Journal article
Year 2014 Publication Journal of magnetism and magnetic materials Abbreviated Journal J Magn Magn Mater
Volume 349 Issue Pages 128-134
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We provide experimental evidence for the existence of ferromagnetism in bilayers of Pd/C-60 which is supported by theoretical calculations based on density functional theory (DFT). The observed ferromagnetism is surprising as C-60 and Pd films are both non-ferromagnetic in the non-interacting limit. Magnetization (M) versus applied field (H) data acquired at different temperatures (T) show magnetic hysteresis with typical coercive fields (H-c) on the order of 50 Oe. From the temperature-dependent magnetization M(T) we extract a Curie temperature (T-c >= 550 K) using Bloch-like power law extrapolations to high temperatures. Using DFT calculations we investigated all plausible scenarios for the interaction between the C-60 molecules and the Pd slabs, Pd single atoms and Pd clusters. DFT shows that while the C-60 molecules are nonmagnetic, Pd films have a degenerate ground state that subject to a weak perturbation, can become ferromagnetic. Calculations also show that the interaction of C-60 molecules with excess Pd atoms and with sharp edges of a Pd slab is the most likely configuration that render the system ferromagnetic Interestingly, the calculated charge transfer (0.016 e per surface Pd atom, 0.064 e per Pd for intimate contact region) between C-60 and Pd does not appear to play an important role. (C) 2013 Elsevier B.V. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000326037600022 Publication Date 2013-08-02
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0304-8853; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.63 Times cited 8 Open Access
Notes ; We thank Prof. Amlan Biswas and Daniel Grant for Atomic Force Microscopy measurements. This work is supported by the National Science Foundation (NSF) under Contract Number 1005301 (AFH). The authors also thank S. Ciraci for fruitful discussions. All the computational resources have been provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H. Sahin is also supported by a FWO Pegasus Marie Curie Long Fellowship during the study. ; Approved Most recent IF: 2.63; 2014 IF: 1.970
Call Number (up) UA @ lucian @ c:irua:112214 Serial 1184
Permanent link to this record
 

 
Author Krstajie, P.M.; Peeters, F.M.
Title Energy-momentum dispersion relation of plasmarons in bilayer graphene Type A1 Journal article
Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 88 Issue 16 Pages 165420-165424
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The relation between the energy and momentum of plasmarons in bilayer graphene is investigated within the Overhauser approach, where the electron-plasmon interaction is described as a field theoretical problem. We find that the Dirac-like spectrum is shifted by Delta E(k) similar to 100 divided by 150 meV depending on the electron concentration n(e) and electron momentum. The shift increases with electron concentration as the energy of plasmons becomes larger. The dispersion of plasmarons is more pronounced than in the case of single layer graphene, which is explained by the fact that the energy dispersion of electrons is quadratic and not linear. We expect that these predictions can be verified using angle-resolved photoemission spectroscopy (ARPES).
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000326089400004 Publication Date 2013-10-22
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 3 Open Access
Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl), the ESF-EuroGRAPHENE project CON-GRAN, and by the Serbian Ministry of Education and Science, within the Project No. TR 32008. ; Approved Most recent IF: 3.836; 2013 IF: 3.664
Call Number (up) UA @ lucian @ c:irua:112224 Serial 1042
Permanent link to this record
 

 
Author Petrovic, M.D.; Peeters, F.M.; Chaves, A.; Farias, G.A.
Title Conductance maps of quantum rings due to a local potential perturbation Type A1 Journal article
Year 2013 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat
Volume 25 Issue 49 Pages 495301-495309
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We performed a numerical simulation of the dynamics of a Gaussian shaped wavepacket inside a small sized quantum ring, smoothly connected to two leads and exposed to a perturbing potential of a biased atomic force microscope tip. Using the Landauer formalism, we calculated conductance maps of this system in the case of single and two subband transport. We explain the main features in the conductance maps as due to the AFM tip influence on the wavepacket phase and amplitude. In the presence of an external magnetic field, the tip modifies the phi(0) periodic Aharonov-Bohm oscillation pattern into a phi(0)/2 periodic Al'tshuler-Aronov-Spivak oscillation pattern. Our results in the case of multiband transport suggest tip selectivity to higher subbands, making them more observable in the total
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000327181400002 Publication Date 2013-11-01
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0953-8984;1361-648X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.649 Times cited 12 Open Access
Notes ; This work was supported by the Methusalem programme of the Flemish government, the CNPq-FWO bilateral programme and PNPD and FUNCAP/PRONEX grants. ; Approved Most recent IF: 2.649; 2013 IF: 2.223
Call Number (up) UA @ lucian @ c:irua:112694 Serial 478
Permanent link to this record
 

 
Author Čukarić, N.A.; Tadić, M.Z.; Partoens, B.; Peeters, F.M.
Title 30-band k\cdot p model of electron and hole states in silicon quantum wells Type A1 Journal article
Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 88 Issue 20 Pages 205306
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We modeled the electron and hole states in Si/SiO2 quantum wells within a basis of standing waves using the 30-band k . p theory. The hard-wall confinement potential is assumed, and the influence of the peculiar band structure of bulk silicon on the quantum-well sub-bands is explored. Numerous spurious solutions in the conduction-band and valence-band energy spectra are found and are identified to be of two types: (1) spurious states which have large contributions of the bulk solutions with large wave vectors (the high-k spurious solutions) and (2) states which originate mainly from the spurious valley outside the Brillouin zone (the extravalley spurious solutions). An algorithm to remove all those nonphysical solutions from the electron and hole energy spectra is proposed. Furthermore, slow and oscillatory convergence of the hole energy levels with the number of basis functions is found and is explained by the peculiar band mixing and the confinement in the considered quantum well. We discovered that assuming the hard-wall potential leads to numerical instability of the hole states computation. Nonetheless, allowing the envelope functions to exponentially decay in a barrier of finite height is found to improve the accuracy of the computed hole states.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000327161500007 Publication Date 2013-11-20
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 10 Open Access
Notes ; This work was supported by the Ministry of Education, Science, and Technological Development of Serbia, the Belgian Science Policy (IAP), the Flemish fund for Scientific Research (FWO-Vl), and the Methusalem programme of the Flemish government. ; Approved Most recent IF: 3.836; 2013 IF: 3.664
Call Number (up) UA @ lucian @ c:irua:112704 Serial 18
Permanent link to this record
 

 
Author Park, K.; De Beule, C.; Partoens, B.
Title The ageing effect in topological insulators : evolution of the surface electronic structure of Bi2Se3 upon K adsorption Type A1 Journal article
Year 2013 Publication New journal of physics Abbreviated Journal New J Phys
Volume 15 Issue Pages 113031-16
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Topological insulators (TIs) have attracted a lot of interest in recent years due to their topologically protected surface states, as well as exotic proximity-induced phenomena and device applications for TI heterostructures. Since the first experimental studies of TIs, angle-resolved photoemission spectra (ARPES) showed that the electronic structure of the topological surface states significantly changes as a function of time after cleavage. The origin and underlying mechanism of this ageing effect are still under debate, despite its importance. Here we investigate the evolution of the surface Dirac cone for Bi2Se3 films upon asymmetric potassium (K) adsorption, using density-functional theory and a tight-binding model. We find that the K adatoms induce short-ranged downward band bending within 2-3 nm from the surface, due to charge transfer from the adatoms to the TI. These findings are in contrast to earlier proposals in the literature, that propose a long-ranged downward band bending up to 15 nm from the surface. Furthermore, as the charge transfer increases, we find that a new Dirac cone, localized slightly deeper into the TI than the original one, appears at the K-adsorbed surface, originating from strong Rashba-split conduction-band states. Our results suggest possible reinterpretations of experiments because the new Dirac cone might have been observed in ARPES measurements instead of the original one that appears immediately after cleavage. Our findings are consistent with ARPES data and provide insight into building TI-heterostructure devices by varying the band-bending potential or film thickness.
Address
Corporate Author Thesis
Publisher Place of Publication Bristol Editor
Language Wos 000326876100006 Publication Date 2013-11-13
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1367-2630; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.786 Times cited 45 Open Access
Notes ; KP was supported by National Science Foundation grant numbers DMR-0804665 and DMR-1206354 and SDSC Trestles under DMR060009N. CDB was supported by the Research Foundation Flanders (FWO). ; Approved Most recent IF: 3.786; 2013 IF: 3.671
Call Number (up) UA @ lucian @ c:irua:112707 Serial 84
Permanent link to this record
 

 
Author Badalyan, S.M.; Matos-Abiague, A.; Fabian, J.; Vignale, G.; Peeters, F.M.
Title Spin-orbit-interaction induced singularity of the charge density relaxation propagator Type A1 Journal article
Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 88 Issue 19 Pages 195402-195405
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The charge density relaxation propagator of a two-dimensional electron system, which is the slope of the imaginary part of the polarization function, exhibits singularities for bosonic momenta having the order of the spin-orbit momentum and depending on the momentum orientation. We have provided an intuitive understanding for this nonanalytic behavior in terms of the interchirality subband electronic transitions, induced by the combined action of Bychkov-Rashba (BR) and Dresselhaus (D) spin-orbit coupling. It is shown that the regular behavior of the relaxation propagator is recovered in the presence of only one BR or D spin-orbit field or for spin-orbit interaction with equal BR and D coupling strengths. This creates a new possibility to influence carrier relaxation properties by means of an applied electric field.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000326820200005 Publication Date 2013-11-07
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 2 Open Access
Notes ; We acknowledge support from the Methusalem program of the Flemish government and the Flemish Science Foundation (FWO-Vl), DFG SFB Grant 689, and NSF Grant DMR-1104788 (G.V.). ; Approved Most recent IF: 3.836; 2013 IF: 3.664
Call Number (up) UA @ lucian @ c:irua:112711 Serial 3093
Permanent link to this record
 

 
Author Shakouri, K.; Badalyan, S.M.; Peeters, F.M.
Title Helical liquid of snake states Type A1 Journal article
Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 88 Issue 19 Pages 195404-195405
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We derive an exact solution to the problem of spin snake states induced in a nonhomogeneous magnetic field by a combined action of the Rashba spin-orbit and Zeeman fields. The electron spin behavior as a function of the cyclotron orbit center position and an external homogeneous magnetic field was obtained. It is shown that in an antisymmetric magnetic field the electron spin in the snake states has only an in-plane projection, perpendicular to the magnetic interface, which vanishes at large positive momenta. Applying an external homogeneous magnetic field adds a finite out-of-plane spin component and simultaneously gaps out the spectral branches, which results in regular beating patterns of the spin current components.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000326820200007 Publication Date 2013-11-07
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 3 Open Access
Notes ; This work was supported by the Methusalem program of the Flemish government and the Flemish Science Foundation (FWO-Vl). ; Approved Most recent IF: 3.836; 2013 IF: 3.664
Call Number (up) UA @ lucian @ c:irua:112712 Serial 1416
Permanent link to this record
 

 
Author de Backer, J.; Vos, W.; Van Holsbeke, C.; Vinchurkar, S.; Claes, R.; Parizel, P.M.; de Backer, W.
Title Effect of high-dose N-acetylcysteine on airway geometry, inflammation, and oxidative stress in COPD patients Type A1 Journal article
Year 2013 Publication International Journal Of Chronic Obstructive Pulmonary Disease Abbreviated Journal Int J Chronic Obstr
Volume 8 Issue Pages 569-579
Keywords A1 Journal article; Biophysics and Biomedical Physics; Condensed Matter Theory (CMT); Antwerp Surgical Training, Anatomy and Research Centre (ASTARC); Laboratory Experimental Medicine and Pediatrics (LEMP)
Abstract Background: Previous studies have demonstrated the potential beneficial effect of N-acetylcysteine (NAC) in chronic obstructive pulmonary disease (COPD). However, the required dose and responder phenotype remain unclear. The current study investigated the effect of high-dose NAC on airway geometry, inflammation, and oxidative stress in COPD patients. Novel functional respiratory imaging methods combining multislice computed tomography images and computer-based flow simulations were used with high sensitivity for detecting changes induced by the therapy. Methods: Twelve patients with Global Initiative for Chronic Obstructive Lung Disease stage II COPD were randomized to receive NAC 1800 mg or placebo daily for 3 months and were then crossed over to the alternative treatment for a further 3 months. Results: Significant correlations were found between image-based resistance values and glutathione levels after treatment with NAC (P = 0.011) and glutathione peroxidase at baseline (P = 0.036). Image-based resistance values appeared to be a good predictor for glutathione peroxidase levels after NAC (P = 0.02), changes in glutathione peroxidase levels (P = 0.035), and reduction in lobar functional residual capacity levels (P = 0.00084). In the limited set of responders to NAC therapy, the changes in airway resistance were in the same order as changes induced by budesonide/formoterol. Conclusion: A combination of glutathione, glutathione peroxidase, and imaging parameters could potentially be used to phenotype COPD patients who would benefit from addition of NAC to their current therapy. The findings of this small pilot study need to be confirmed in a larger pivotal trial.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000327537300001 Publication Date 2013-11-21
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1178-2005; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.157 Times cited 21 Open Access
Notes ; JDB is a founder/shareholder of FluidDA NV, Kontich, Belgium. WV, SV, and CVH are employed by FluidDA NV, and WDB is the director of FluidDA NV. PMP and RC have no conflicts of interest to report. The study was supported by Zambon SpA, Bresso, Italy. ; Approved Most recent IF: 3.157; 2013 IF: NA
Call Number (up) UA @ lucian @ c:irua:112799 Serial 813
Permanent link to this record
 

 
Author Berdiyorov, G.R.; Peeters, F.M.
Title Influence of vacancy defects on the thermal stability of silicene: a reactive molecular dynamics study Type A1 Journal article
Year 2014 Publication RSC advances Abbreviated Journal Rsc Adv
Volume 4 Issue 3 Pages 1133-1137
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The effect of vacancy defects on the structural properties and the thermal stability of free standing silicene – a buckled structure of hexagonally arranged silicon atoms – is studied using reactive molecular dynamics simulations. Pristine silicene is found to be stable up to 1500 K, above which the system transits to a three-dimensional amorphous configuration. Vacancy defects result in local structural changes in the system and considerably reduce the thermal stability of silicene: depending on the size of the vacancy defect, the critical temperature decreases by more than 30%. However, the system is still found to be stable well above room temperature within our simulation time of 500 ps. We found that the, stability of silicene can be increased by saturating the dangling bonds at the defect edges by foreign atoms (e.g., hydrogen).
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000327868400015 Publication Date 2013-11-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2046-2069; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.108 Times cited 62 Open Access
Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem Foundation of the Flemish Government. The authors are grateful to Prof. Adri van Duin for his support with the ReaxFF force field. ; Approved Most recent IF: 3.108; 2014 IF: 3.840
Call Number (up) UA @ lucian @ c:irua:112829 Serial 1658
Permanent link to this record
 

 
Author Berdiyorov, G.R.; Savel'ev, S.E.; Kusmartsev, F.V.; Peeters, F.M.
Title In-phase motion of Josephson vortices in stacked SNS Josephson junctions : effect of ordered pinning Type A1 Journal article
Year 2013 Publication Superconductor science and technology Abbreviated Journal Supercond Sci Tech
Volume 26 Issue 12 Pages 125010-125016
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The dynamics of Josephson vortices (fluxons) in artificial stacks of superconducting-normal-superconducting Josephson junctions is investigated using the anisotropic time-dependent Ginzburg-Landau theory in the presence of a square/rectangular array of pinning centers (holes). For small values of the applied drive, fluxons in different junctions move out of phase, forming a periodic triangular lattice. A rectangular lattice of moving fluxons is observed at larger currents, which is in agreement with previous theoretical predictions (Koshelev and Aranson 2000 Phys. Rev. Lett. 85 3938). This 'superradiant' flux-flow state is found to be stable in a wide region of applied current. The stability range of this ordered state is considerably larger than the one obtained for the pinning-free sample. Clear commensurability features are observed in the current-voltage characteristics of the system with pronounced peaks in the critical current at (fractional) matching fields. The effect of density and strength of the pinning centers on the stability of the rectangular fluxon lattice is discussed. Predicted synchronized motion of fluxons in the presence of ordered pinning can be detected experimentally using the rf response of the system, where enhancement of the Shapiro-like steps is expected due to the synchronization.
Address
Corporate Author Thesis
Publisher Place of Publication Bristol Editor
Language Wos 000327447200013 Publication Date 2013-10-29
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0953-2048;1361-6668; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.878 Times cited 5 Open Access
Notes ; This work was supported by EU Marie Curie (Project No: 253057) and by the Flemish Science Foundation (FWO-Vl). ; Approved Most recent IF: 2.878; 2013 IF: 2.796
Call Number (up) UA @ lucian @ c:irua:112834 Serial 1573
Permanent link to this record
 

 
Author Van Holsbeke, C.S.; Leemans, G.; Vos, W.G.; de Backer, J.W.; Vinchurkar, S.C.; Geldof, M.; Verdonck, P.R.; Parizel, P.M.; van Schil, P.E.; de Backer, W.A.
Title Functional Respiratory Imaging as a tool to personalize respiratory treatment in subjects with unilateral diaphragmatic paralysis Type A1 Journal article
Year 2013 Publication Respiratory care Abbreviated Journal Resp Care
Volume Issue Pages 1-20
Keywords A1 Journal article; Condensed Matter Theory (CMT); Antwerp Surgical Training, Anatomy and Research Centre (ASTARC); Laboratory Experimental Medicine and Pediatrics (LEMP)
Abstract In two subjects with a unilateral diaphragmatic paralysis and complaints of dyspnea, a completely different treatment approach was chosen despite similar anatomical and physiological abnormalities. These decisions were supported by the results generated by Functional Respiratory Imaging (FRI). FRI was able to generate functional information with respect to lobar ventilation and local drug deposition. In one subject, it was found that some lobes were poorly ventilated and drug deposition simulation showed that some regions were undertreated. This subject underwent a diaphragm plication to restore the ventilation. In the other subject, it was found that all lobes were still ventilated. A conservative approach with regular follow-up was chosen to wait for spontaneous recovery of the diaphragmatic function. Both subjects improved subjectively and objectively. These cases demonstrate how novel medical imaging techniques such as FRI can be used to personalize respiratory treatment in subjects with unilateral diaphragmatic paralysis.
Address
Corporate Author Thesis
Publisher Place of Publication Dallas, Tex. Editor
Language Wos 000349200100024 Publication Date 2013-12-11
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0020-1324;1943-3654; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.733 Times cited 5 Open Access
Notes ; ; Approved Most recent IF: 1.733; 2013 IF: 1.840
Call Number (up) UA @ lucian @ c:irua:112982 Serial 1303
Permanent link to this record
 

 
Author de Oliveira, E.L.; Albuquerque, E.L.; de Sousa, J.S.; Farias, G.A.; Peeters, F.M.
Title Configuration-interaction excitonic absorption in small Si/Ge and Ge/Si core/shell nanocrystals Type A1 Journal article
Year 2012 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
Volume 116 Issue 7 Pages 4399-4407
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract The excitonic properties of Si(core)/Ge(shell) and Ge(core)/Si(shell) nanocrystals (NC's) with diameters of similar to 1.9 nm are investigated using a combination density functional ab initio method to obtain the single particle wave functions and a configuration interaction method to compute the exciton fine structure and absorption coefficient. These core/shell structures exhibit type II confinement, which is more pronounced for the Si/Ge NC as a consequence of strain. The absorption coefficients of these NC's exhibit a single dominant peak, which has a much larger oscillator strength than the multipeaks found for pure Si and Ge NC's. The exciton lifetime in Si, Ge, and Ge/Si shows a small i:emperature dependence in the range 10-300 K, whereas in Si/Ge, the exciton lifetime decreases more than an order of magnitude in the same temperature range.
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor
Language Wos 000301156500007 Publication Date 2012-01-04
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1932-7447;1932-7455; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.536 Times cited 44 Open Access
Notes ; The authors acknowledge financial support from CNPq and the bilateral program between Flanders and Brazil and the Belgian Science Foundation (IAP). ; Approved Most recent IF: 4.536; 2012 IF: 4.814
Call Number (up) UA @ lucian @ c:irua:113045 Serial 482
Permanent link to this record
 

 
Author Avetisyan, A.A.; Partoens, B.; Peeters, F.M.
Title Electric field tuning of the band gap in four layers of graphene with different stacking order Type P1 Proceeding
Year 2012 Publication Proceedings of the Society of Photo-optical Instrumentation Engineers T2 – Conference on Photonics and Micro and Nano-structured Materials, JUN 28-30, 2011, Yerevan, ARMENIA Abbreviated Journal
Volume Issue Pages 84140-84148
Keywords P1 Proceeding; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract We investigated the effect of different stacking order of the four graphene layer system on the induced band gap when positively charged top and negatively charged back gates are applied to the system. A tight-binding approach within a self-consistent Hartree approximation is used to calculate the induced charges on the different graphene layers. We show that the electric field does not open an energy gap if the multilayer graphene system contains a trilayer part with the ABA Bernal stacking.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000303856600012 Publication Date 2012-01-20
Series Editor Series Title Abbreviated Series Title
Series Volume 8414 Series Issue Edition
ISSN ISBN Additional Links UA library record; WoS full record
Impact Factor Times cited Open Access
Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl), and the BelgianScience Policy (IAP). One of us (A.A.A.) was supported by a fellowship from the Belgian Federal Science Policy Office (BELSPO). ; Approved Most recent IF: NA
Call Number (up) UA @ lucian @ c:irua:113046 Serial 886
Permanent link to this record
 

 
Author Djotyan, A.P.; Avetisyan, A.A.; Hao, Y.L.; Peeters, F.M.
Title Shallow donor near a semiconductor surface in the presence of locally spherical scanning tunneling microscope tip Type P1 Proceeding
Year 2012 Publication Proceedings of the Society of Photo-optical Instrumentation Engineers T2 – Conference on Photonics and Micro and Nano-structured Materials, JUN 28-30, 2011, Yerevan, ARMENIA Abbreviated Journal
Volume Issue Pages 84140-84148
Keywords P1 Proceeding; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract We developed a variational approach to investigate the ground state energy and the extend of the wavefunction of a neutral donor located near a semiconductor surface in the presence of scanning tunneling microscope (STM) metallic tip. We apply the effective mass approximation and use a variational wavefunction that takes into account the influence of all image charges that arise due to the presence of a metallic tip. The behavior of the ground state energy when the tip approaches the semiconductor surface is investigated.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000303856600020 Publication Date 2012-01-20
Series Editor Series Title Abbreviated Series Title
Series Volume 8414 Series Issue Edition
ISSN ISBN Additional Links UA library record; WoS full record
Impact Factor Times cited Open Access
Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl), and the Belgian Science Policy. One of us (AAA) was supported by a fellowship from the Belgian Federal Science Policy Office (Belspo). ; Approved Most recent IF: NA
Call Number (up) UA @ lucian @ c:irua:113047 Serial 2987
Permanent link to this record
 

 
Author Austing, D.G.; Payette, C.; Yu, G.; Gupta, J.A.; Aers, G.C.; Nair, S.V.; Partoens, B.; Amaha, S.; Tarucha, S.
Title Characterization and modeling of single-particle energy levels and resonant currents in a coherent quantum dot mixer Type P1 Proceeding
Year 2011 Publication AIP conference proceedings T2 – 30th International Conference on the Physics of Semiconductors (ICPS-30), JUL 25-30, 2010, Seoul, SOUTH KOREA Abbreviated Journal
Volume Issue Pages 1-2
Keywords P1 Proceeding; Condensed Matter Theory (CMT)
Abstract We characterize and model the single-particle energy level position and resonant current strength at a three-level crossing in a coherent mixer composed of two weakly coupled vertical quantum dots. In addition to clear anticrossing behavior, an otherwise strong resonance is completely extinguished at the center of the crossing. Despite the strong variation in energy level position and resonant current strength throughout the crossing region, the resonance widths and the sum of the branch currents are found to be approximately constant.
Address
Corporate Author Thesis
Publisher Place of Publication New York Editor
Language Wos 000301053000453 Publication Date 2011-12-28
Series Editor Series Title Abbreviated Series Title
Series Volume 1399 Series Issue Edition
ISSN ISBN Additional Links UA library record; WoS full record
Impact Factor Times cited Open Access
Notes ; ; Approved Most recent IF: NA
Call Number (up) UA @ lucian @ c:irua:113070 Serial 314
Permanent link to this record
 

 
Author Nguyen, N.T.T.; Peeters, F.M.
Title The breakdown of Kohn's theorem in few-electron parabolic quantum dots doped with a single magnetic impurity Mn2+ Type P1 Proceeding
Year 2010 Publication Journal of physics : conference series T2 – Conference on Quantum Dots 2010 (QD2010), APR 26-30, 2010, Nottingham, ENGLAND Abbreviated Journal
Volume Issue Pages 012031-12034
Keywords P1 Proceeding; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract The cyclotron resonance (CR) absorption spectrum is calculated for a II-VI parabolic quantum dot (QD) containing few electrons and a single magnetic dopant (Mn(2+)). We find that Kohn's theorem no longer holds for this system and that the CR spectrum depends on the number of electrons inside the QD. The electron-Mn-ion interaction strength can be tuned for example by the magnetic field and by moving the Mn-ion to different positions inside the QD. We demonstrate that due to the presence of the Mn-ion the relative motion of the electrons couple with their center-of-mass motion through the electron-Mn-ion spin-spin exchange term resulting in an electron-electron interaction dependence of the magneto-optical absorption spectrum. At the ferromagnetic-antiferromagnetic transition we observe significant discontinuities in the CR lines.
Address
Corporate Author Thesis
Publisher Place of Publication Bristol Editor
Language Wos 000294907400031 Publication Date 2010-09-21
Series Editor Series Title Abbreviated Series Title
Series Volume 245 Series Issue Edition
ISSN 1742-6596; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 1 Open Access
Notes ; ; Approved Most recent IF: NA
Call Number (up) UA @ lucian @ c:irua:113080 Serial 3572
Permanent link to this record
 

 
Author Nguyen, N.T.T.; Peeters, F.M.
Title Phase-diagram for the magnetic states of the Mn-ion subsystem in a magnetic quantum dot Type P1 Proceeding
Year 2010 Publication Journal of physics : conference series T2 – Conference on Quantum Dots 2010 (QD2010), APR 26-30, 2010, Nottingham, ENGLAND Abbreviated Journal
Volume Issue Pages 012032-12034
Keywords P1 Proceeding; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract The interplay between two types of spin-spin exchange interaction (namely of the electron with the Mn-ions and the Mn-ions with each other) that are governed by the positions of the Mn-ions and the magnetic field is studied in the case of a Mn-ion doped CdTe quantum dot. We investigate the formation of different magnetic phases and the existence of frustrated magnetic states due to the dominant contribution of the Mn-Mn energy.
Address
Corporate Author Thesis
Publisher Place of Publication Bristol Editor
Language Wos 000294907400032 Publication Date 2010-09-21
Series Editor Series Title Abbreviated Series Title
Series Volume 245 Series Issue Edition
ISSN 1742-6596; ISBN Additional Links UA library record; WoS full record
Impact Factor Times cited Open Access
Notes ; ; Approved Most recent IF: NA
Call Number (up) UA @ lucian @ c:irua:113081 Serial 2582
Permanent link to this record
 

 
Author Amini, M.
Title First-principles study of defects in transparent conducting oxide materials Type Doctoral thesis
Year 2014 Publication Abbreviated Journal
Volume Issue Pages
Keywords Doctoral thesis; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Antwerpen Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number (up) UA @ lucian @ c:irua:113390 Serial 1216
Permanent link to this record
 

 
Author Zarenia, M.; Partoens, B.; Chakraborty, T.; Peeters, F.M.
Title Electron-electron interactions in bilayer graphene quantum dots Type A1 Journal article
Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 88 Issue 24 Pages 245432-245435
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract A parabolic quantum dot (QD) as realized by biasing nanostructured gates on bilayer graphene is investigated in the presence of electron-electron interaction. The energy spectrum and the phase diagram reveal unexpected transitions as a function of a magnetic field. For example, in contrast to semiconductor QDs, we find a valley transition rather than only the usual singlet-triplet transition in the ground state of the interacting system. The origin of these features can be traced to the valley degree of freedom in bilayer graphene. These transitions have important consequences for cyclotron resonance experiments.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000328688600010 Publication Date 2014-01-09
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 29 Open Access
Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl), the European Science Foundation (ESF) under the EUROCORES program EuroGRAPHENE (project CONGRAN), and the Methusalem foundation of the Flemish Government. T. C. is supported by the Canada Research Chairs program of the Government of Canada. ; Approved Most recent IF: 3.836; 2013 IF: 3.664
Call Number (up) UA @ lucian @ c:irua:113698 Serial 926
Permanent link to this record
 

 
Author Van Duppen, B.; Peeters, F.M.
Title Thermodynamic properties of the electron gas in multilayer graphene in the presence of a perpendicular magnetic field Type A1 Journal article
Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 88 Issue 24 Pages 245429-7
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The thermodynamic properties of the electron gas in multilayer graphene depend strongly on the number of layers and the type of stacking. Here we analyze how those properties change when we vary the number of layers for rhombohedral stacked multilayer graphene and compare our results with those from a conventional two-dimensional electron gas. We show that the highly degenerate zero-energy Landau level which is partly filled with electrons and partly with holes has a strong influence on the values of the different thermodynamic quantities.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000328686900006 Publication Date 2014-01-09
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 2 Open Access
Notes ; The authors would like to thank C. De Beule for enlightening discussions. 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.V.D., and the Methusalem Program of the Flemish Government. ; Approved Most recent IF: 3.836; 2013 IF: 3.664
Call Number (up) UA @ lucian @ c:irua:113700 Serial 3635
Permanent link to this record
 

 
Author de Sousa, A.A.; Chaves, A.; Farias, G.A.; Peeters, F.M.
Title Braess paradox at the mesoscopic scale Type A1 Journal article
Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 88 Issue 24 Pages 245417-6
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We theoretically demonstrate that the transport inefficiency recently found experimentally for branched-out mesoscopic networks can also be observed in a quantum ring of finite width with an attached central horizontal branch. This is done by investigating the time evolution of an electron wave packet in such a system. Our numerical results show that the conductivity of the ring does not necessary improve if one adds an extra channel. This ensures that there exists a quantum analog of the Braess paradox, originating from quantum scattering and interference.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000328680500011 Publication Date 2013-12-17
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 17 Open Access
Notes ; This work was financially supported by PRONEX/CNPq/FUNCAP and the bilateral project CNPq-FWO. Discussions with J. S. Andrade, Jr. are gratefully acknowledged. A. A. S. has been financially supported by CAPES, under PDSE Contract No. BEX 7177/13-5. ; Approved Most recent IF: 3.836; 2013 IF: 3.664
Call Number (up) UA @ lucian @ c:irua:113705 Serial 253
Permanent link to this record
 

 
Author Milovanović, S.P.; Masir, M.R.; Peeters, F.M.
Title Spectroscopy of snake states using a graphene Hall bar Type A1 Journal article
Year 2013 Publication Applied physics letters Abbreviated Journal Appl Phys Lett
Volume 103 Issue 23 Pages 233502-233504
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract An approach to observe snake states in a graphene Hall bar containing a pn-junction is proposed. The magnetic field dependence of the bend resistance in a ballistic graphene Hall bar structure containing a tilted pn-junction oscillates as a function of applied magnetic field. We show that each oscillation is due to a specific snake state that moves along the pn-interface. Furthermore, depending on the value of the magnetic field and applied potential, we can control the lead in which the electrons will end up and hence control the response of the system.
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000328634900090 Publication Date 2013-12-03
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 15 Open Access
Notes This work was supported by the Flemish Science Foundation (FWO-Vl), the European Science Foundation (ESF) under the EUROCORES Program EuroGRAPHENE within the project CONGRAN and the Methusalem Foundation of the Flemish government. Approved Most recent IF: 3.411; 2013 IF: 3.515
Call Number (up) UA @ lucian @ c:irua:113710 Serial 3074
Permanent link to this record
 

 
Author Vos, W.; de Backer, J.; Poli, G.; De Volder, A.; Ghys, L.; Van Holsbeke, C.; Vinchurkar, S.; De Backer, L.; de Backer, W.
Title Novel functional imaging of changes in small airways of patients treated with extrafine beclomethasone/formoterol Type A1 Journal article
Year 2013 Publication Respiration Abbreviated Journal Respiration
Volume 86 Issue 5 Pages 393-401
Keywords A1 Journal article; Biophysics and Biomedical Physics; Condensed Matter Theory (CMT); Laboratory Experimental Medicine and Pediatrics (LEMP)
Abstract Background: Inhaled formulations using extrafine particles of long-acting beta(2)-agonists and corticosteroids were developed to optimize asthma treatment. Findings that these combinations reach and treat smaller airways more effectively are predominantly based on general non-specific outcomes with little information on regional characteristics. Objectives: This study aims to assess long-term effects of extrafine beclomethasone/formoterol on small airways of asthmatic patients using novel functional imaging methods. Methods: Twenty-four stable asthma patients were subdivided into three groups (steroid naive, n = 7; partially controlled, n = 6; well controlled, n = 11). Current treatment was switched to a fixed combination of extrafine beclomethasone/formoterol (Foster (R); Chiesi Pharmaceuticals, Parma, Italy). Patients underwent lung function evaluation and thorax high-resolution computerized tomography (HRCT) scan. Local airway resistance was obtained from computational fluid dynamics (CFD). Results: After 6 months, the entire population showed improvement in pre-bronchodilation imaging parameters, including small airway volume (p = 0.0007), resistance (p = 0.011), and asthma control score (p = 0.016). Changes in small airway volume correlated with changes in asthma control score (p = 0.004). Forced expiratory volume in 1 s (p = 0.044) and exhaled nitric oxide (p = 0.040) also improved. Functional imaging provided more detail and clinical relevance compared to lung function tests, especially in the well-controlled group where only functional imaging parameters showed significant improvement, while the correlation with asthma control score remained. Conclusions: Extrafine beclomethasone/formoterol results in a significant reduction of small airway obstruction, detectable by functional imaging (HRCT/CFD). Changes in imaging parameters correlated significantly with clinically relevant improvements. This indicates that functional imaging is a useful tool for sensitive assessment of changes in the respiratory system after asthma treatment. Copyright (C) 2013 S. Karger AG, Basel
Address
Corporate Author Thesis
Publisher Place of Publication Basel Editor
Language Wos 000329046200006 Publication Date 2013-04-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1423-0356;0025-7931; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.772 Times cited 30 Open Access
Notes ; ; Approved Most recent IF: 2.772; 2013 IF: 2.924
Call Number (up) UA @ lucian @ c:irua:113762 Serial 2376
Permanent link to this record
 

 
Author Kapra, A.
Title Controlling the flux dynamics in superconductors by nanostructured magnetic arrays Type Doctoral thesis
Year 2013 Publication Abbreviated Journal
Volume Issue Pages
Keywords Doctoral thesis; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Antwerpen Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number (up) UA @ lucian @ c:irua:114596 Serial 508
Permanent link to this record
 

 
Author Masir, M.R.; Moldovan, D.; Peeters, F.M.
Title Pseudo magnetic field in strained graphene : revisited Type A1 Journal article
Year 2013 Publication Solid state communications Abbreviated Journal Solid State Commun
Volume 175 Issue Pages 76-82
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We revisit the theory of the pseudo magnetic field as induced by strain in graphene using the tight- binding approach. A systematic expansion of the hopping parameter and the deformation of the lattice vectors is presented from which we obtain an expression for the pseudo magnetic field for low energy electrons. We generalize and discuss previous results and propose a novel effective Hamiltonian. The contributions of the different terms to the pseudo field expression are investigated for a model triaxial strain profile and are compared with the full solution. Our work suggests that the previous proposed pseudo magnetic field expression is valid up to reasonably high strain (15%) and there is no K-dependent pseudo-magnetic field.
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000329538200010 Publication Date 2013-04-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0038-1098; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.554 Times cited 57 Open Access
Notes This work was supported by the Flemish Science Foundation (FWO-Vl), the European Science Foundation (ESF) under the EURO- CORES Program EuroGRAPHENE within the project CONGRAN and the Methusalem programme of the Flemish government. Approved Most recent IF: 1.554; 2013 IF: 1.698
Call Number (up) UA @ lucian @ c:irua:114805 Serial 2737
Permanent link to this record
 

 
Author Amini, M.N.; Dixit, H.; Saniz, R.; Lamoen, D.; Partoens, B.
Title The origin of p-type conductivity in ZnM2O4 (M = Co, Rh, Ir) spinels Type A1 Journal article
Year 2014 Publication Physical chemistry, chemical physics Abbreviated Journal Phys Chem Chem Phys
Volume 16 Issue 6 Pages 2588-2596
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
Abstract ZnM2O4 (M = Co, Rh, Ir) spinels are considered as a class of potential p-type transparent conducting oxides (TCOs). We report the formation energy of acceptor-like defects using first principles calculations with an advanced hybrid exchange-correlation functional (HSE06) within density functional theory (DFT). Due to the discrepancies between the theoretically obtained band gaps with this hybrid functional and the – scattered – experimental results, we also perform GW calculations to support the validity of the description of these spinels with the HSE06 functional. The considered defects are the cation vacancy and antisite defects, which are supposed to be the leading source of disorder in the spinel structures. We also discuss the band alignments in these spinels. The calculated formation energies indicate that the antisite defects ZnM (Zn replacing M, M = Co, Rh, Ir) and VZn act as shallow acceptors in ZnCo2O4, ZnRh2O4 and ZnIr2O4, which explains the experimentally observed p-type conductivity in those systems. Moreover, our systematic study indicates that the ZnIr antisite defect has the lowest formation energy in the group and it corroborates the highest p-type conductivity reported for ZnIr2O4 among the group of ZnM2O4 spinels. To gain further insight into factors affecting the p-type conductivity, we have also investigated the formation of localized small polarons by calculating the self-trapping energy of the holes.
Address
Corporate Author Thesis
Publisher Place of Publication Cambridge Editor
Language Wos 000329926700040 Publication Date 2013-12-03
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1463-9076;1463-9084; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.123 Times cited 47 Open Access
Notes Fwo; Goa; Hercules Approved Most recent IF: 4.123; 2014 IF: 4.493
Call Number (up) UA @ lucian @ c:irua:114829 Serial 2525
Permanent link to this record
 

 
Author Neek-Amal, M.; Sadeghi, A.; Berdiyorov, G.R.; Peeters, F.M.
Title Realization of free-standing silicene using bilayer graphene Type A1 Journal article
Year 2013 Publication Applied physics letters Abbreviated Journal Appl Phys Lett
Volume 103 Issue 26 Pages 261904-4
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The available synthesized silicene-like structures have been only realized on metallic substrates which are very different from the standalone buckled silicene, e. g., the Dirac cone of silicene is destroyed due to lattice distortion and the interaction with the substrate. Using graphene bilayer as a scaffold, a route is proposed to synthesize silicene with electronic properties decoupled from the substrate. The buckled hexagonal arrangement of silicene between the graphene layers is found to be very similar to the theoretically predicted standalone buckled silicene which is only very weakly van der Waals coupled to the graphene layers with a graphite-like interlayer distance of 3.42 angstrom and without any lattice distortion. We found that these stacked layers are stable well above room temperature. (C) 2013 AIP Publishing LLC.
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000329977400022 Publication Date 2013-12-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0003-6951;1077-3118; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.411 Times cited 74 Open Access
Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem Foundation of the Flemish Government. M.N.-A. was supported by the EU-Marie Curie IIF postdoc Fellowship/299855. ; Approved Most recent IF: 3.411; 2013 IF: 3.515
Call Number (up) UA @ lucian @ c:irua:114849 Serial 2837
Permanent link to this record
 

 
Author Govaerts, K.; Sluiter, M.H.F.; Partoens, B.; Lamoen, D.
Title Homologous series of layered structures in binary and ternary Bi-Sb-Te-Se systems : ab initio study Type A1 Journal article
Year 2014 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 89 Issue 5 Pages 054106-54109
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
Abstract In order to account explicitly for the existence of long-periodic layered structures and the strong structural relaxations in the most common binary and ternary alloys of the Bi-Sb-Te-Se system, we have developed a one-dimensional cluster expansion (CE) based on first-principles electronic structure calculations, which accounts for the Bi and Sb bilayer formation. Excellent interlayer distances are obtained with a van der Waals density functional. It is shown that a CE solely based on pair interactions is sufficient to provide an accurate description of the ground-state energies of Bi-Sb-Te-Se binary and ternary systems without making the data set of ab initio calculated structures unreasonably large. For the binary alloys A1−xQx (A=Sb, Bi; Q=Te, Se), a ternary CE yields an almost continuous series of (meta)stable structures consisting of consecutive A bilayers next to consecutive A2Q3 for 0<x<0.6. For x>0.6, the binary alloy segregates into pure Q and A2Q3. The Bi-Sb system is described by a quaternary CE and is found to be an ideal solid solution stabilized by entropic effects at T≠0 K but with an ordered structure of alternating Bi and Sb layers for x=0.5 at T=0 K. A quintuple CE is used for the ternary Bi-Sb-Te system, where stable ternary layered compounds with an arbitrary stacking of Sb2Te3, Bi2Te3, and Te-Bi-Te-Sb-Te quintuple units are found, optionally separated by mixed Bi/Sb bilayers. Electronic properties of the stable compounds were studied taking spin-orbit coupling into account.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000332420900001 Publication Date 2014-03-05
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 5 Open Access
Notes Fwo; Hercules Approved Most recent IF: 3.836; 2014 IF: 3.736
Call Number (up) UA @ lucian @ c:irua:114910 Serial 1487
Permanent link to this record
 

 
Author Van Boxem, R.; Partoens, B.; Verbeeck, J.
Title Rutherford scattering of electron vortices Type A1 Journal article
Year 2014 Publication Physical review : A : atomic, molecular and optical physics Abbreviated Journal Phys Rev A
Volume 89 Issue 3 Pages 032715-32719
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
Abstract By considering a cylindrically symmetric generalization of a plane wave, the first-order Born approximation of screened Coulomb scattering unfolds two new dimensions in the scattering problem: transverse momentum and orbital angular momentum of the incoming beam. In this paper, the elastic Coulomb scattering amplitude is calculated analytically for incoming Bessel beams. This reveals novel features occurring for wide-angle scattering and quantitative insights for small-angle vortex scattering. The result successfully generalizes the well-known Rutherford formula, incorporating transverse and orbital angular momentum into the formalism.
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000333690500008 Publication Date 2014-03-31
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1050-2947;1094-1622; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.925 Times cited 34 Open Access
Notes 312483-Esteem2; N246791 – Countatoms; 278510 Vortex; esteem2jra1; esteem2jra3 ECASJO_; Approved Most recent IF: 2.925; 2014 IF: 2.808
Call Number (up) UA @ lucian @ c:irua:115562UA @ admin @ c:irua:115562 Serial 2936
Permanent link to this record
 

 
Author Nasr Esfahani, D.; Covaci, L.; Peeters, F.M.
Title Surface correlation effects in two-band strongly correlated slabs Type A1 Journal article
Year 2014 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat
Volume 26 Issue 7 Pages 075601-75609
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Using an extension of the Gutzwiller approximation for an inhomogeneous system, we study the two-band Hubbard model with unequal band widths for a slab geometry. The aim is to investigate the mutual effect of individual bands on the spatial distribution of quasi-particle weight and charge density, especially near the surface of the slab. The main effect of the difference in band width is the presence of two different length scales corresponding to the quasi-particle profile of each band. This is enhanced in the vicinity of the critical interaction of the narrow band where an orbitally selective Mott transition occurs and a surface dead layer forms for the narrow band. For the doped case, two different regimes of charge transfer between the surface and the bulk of the slab are revealed. The charge transfer from surface/ center to center/ surface depends on both the doping level and the average relative charge accumulated in each band. Such effects could also be of importance when describing the accumulation of charges at the interface between structures made of multi-band strongly correlated materials.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000330719500009 Publication Date 2014-01-29
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0953-8984;1361-648X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.649 Times cited 1 Open Access
Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem program of the Flemish government. One of us (LC) is a postdoctoral fellow of the FWO-Vl. ; Approved Most recent IF: 2.649; 2014 IF: 2.346
Call Number (up) UA @ lucian @ c:irua:115723 Serial 3395
Permanent link to this record