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Author Sharp, J.; Mueller, I.C.; Mandal, P.; Abbas, A.; Nord, M.; Doye, A.; Ehiasarian, A.; Hovsepian, P.; MacLaren, I.; Rainforth, W.M. url  doi
openurl 
  Title Characterisation of a high-power impulse magnetron sputtered C/Mo/W wear resistant coating by transmission electron microscopy Type A1 Journal article
  Year 2019 Publication Surface and coatings technology Abbreviated Journal Surf Coat Tech  
  Volume 377 Issue 377 Pages (up) 124853  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Thin films of C/Mo/W deposited using combined UBM/HIPIMS sputtering show 2-8 nm clusters of material richer in Mo and W than the matrix (found by EDS microanalysis), with structures that resemble graphitic onions with the metal atoms arranged regularly within them. EELS microanalysis showed the clusters to be rich in W and Mo. As the time averaged power used in the pulsed HIPIMS magnetron was increased, the clusters became more defined, larger, and arranged into layers with amorphous matrix between them. Films deposited with average HIPIMS powers of 4 kW and 6 kW also showed a periodic modulation of the cluster density within the finer layers giving secondary, wider stripes in TEM. By analysing the ratio between the finer and coarser layers, it was found that this meta-layering is related to the substrate rotation in the deposition chamber but in a non-straightforward way. Reasons for this are proposed. The detailed structure of the clusters remains unknown and is the subject of further work. Fluctuation electron microscopy results indicated the presence of crystal planes with the graphite interlayer spacing, crystal planes in hexagonal WC perpendicular to the basal plane, and some plane spacings found in Mo2C. Other peaks in the FEM results suggested symmetry-related starting points for future determination of the structure of the clusters.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000488417800015 Publication Date 2019-08-03  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0257-8972 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.589 Times cited 1 Open Access  
  Notes ; J.S. thanks the Mercury Centre at the University of Sheffield for funding, which was part funded by the ERDF under grant MERCURY 904467. I.C.M. acknowledges support from CONACyT and RobertoRocca Education Fellowship. We gratefully acknowledge funding from EPSRC for the pixelated STEM detector and the software used in its operation for the fluctuation microscopy (EP/M009963/ 1, EP/K503903/1 & EP/R511705/1). AD was supported by the EPSRC CDT in Integrative Sensing and Measurement, Grant Number EP/L016753/1. Funding sources did not influence the planning or execution of this work except to enable it. ; Approved Most recent IF: 2.589  
  Call Number UA @ admin @ c:irua:163700 Serial 5383  
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Author Ramakers, M.; Medrano, J.A.; Trenchev, G.; Gallucci, F.; Bogaerts, A. pdf  url
doi  openurl
  Title Revealing the arc dynamics in a gliding arc plasmatron: a better insight to improve CO2conversion Type A1 Journal article
  Year 2017 Publication Plasma sources science and technology Abbreviated Journal Plasma Sources Sci T  
  Volume 26 Issue 12 Pages (up) 125002  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract A gliding arc plasmatron (GAP) is very promising for CO2 conversion into value-added chemicals, but to further improve this important application, a better understanding of the arc behavior is indispensable. Therefore, we study here for the first time the dynamic arc behavior of the GAP by means of a high-speed camera, for different reactor configurations and in a wide range of operating conditions. This allows us to provide a complete image of the behavior of the gliding arc. More specifically, the arc body shape, diameter, movement and rotation speed are analyzed and discussed. Clearly, the arc movement and shape relies on a number of factors, such as gas turbulence, outlet diameter, electrode surface, gas contraction and buoyance force. Furthermore, we also compare the experimentally measured arc movement to a state-of-the-art 3D-plasma model, which predicts the plasma movement and rotation speed with very good accuracy, to gain further insight in the underlying mechanisms. Finally, we correlate the arc dynamics with the CO2 conversion and energy efficiency, at exactly the same conditions, to explain the effect of these parameters on the CO2 conversion process. This work is important for understanding and optimizing the GAP for CO2 conversion.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000414675000001 Publication Date 2017-11-07  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1361-6595 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.302 Times cited 7 Open Access OpenAccess  
  Notes This work was supported by the Belgian Federal Office for Science Policy (BELSPO) and the Fund for Scientific Research Flanders (FWO; grant numbers G.0383.16N and 11U5316N). Approved Most recent IF: 3.302  
  Call Number PLASMANT @ plasmant @c:irua:147023 Serial 4761  
Permanent link to this record
 

 
Author Kenawy, A.; Magnus, W.; Milošević, M.V.; Sorée, B. pdf  doi
openurl 
  Title Electronically tunable quantum phase slips in voltage-biased superconducting rings as a base for phase-slip flux qubits Type A1 Journal article
  Year 2020 Publication Superconductor Science & Technology Abbreviated Journal Supercond Sci Tech  
  Volume 33 Issue 12 Pages (up) 125002  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Quantum phase slips represent a coherent mechanism to couple flux states of a superconducting loop. Since their first direct observation, there have been substantial developments in building charge-insensitive quantum phase-slip circuits. At the heart of these devices is a weak link, often a nanowire, interrupting a superconducting loop. Owing to the very small cross-sectional area of such a nanowire, quantum phase slip rates in the gigahertz range can be achieved. Instead, here we present the use of a bias voltage across a superconducting loop to electrostatically induce a weak link, thereby amplifying the rate of quantum phase slips without physically interrupting the loop. Our simulations reveal that the bias voltage modulates the free energy barrier between subsequent flux states in a very controllable fashion, providing a route towards a phase-slip flux qubit with a broadly tunable transition frequency.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000577207000001 Publication Date 2020-09-16  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0953-2048 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.6 Times cited 4 Open Access  
  Notes ; ; Approved Most recent IF: 3.6; 2020 IF: 2.878  
  Call Number UA @ admin @ c:irua:172643 Serial 6503  
Permanent link to this record
 

 
Author Zeegers, M.T.; Kadu, A.; van Leeuwen, T.; Batenburg, K.J. pdf  doi
openurl 
  Title ADJUST : a dictionary-based joint reconstruction and unmixing method for spectral tomography Type A1 Journal article
  Year 2022 Publication Inverse problems Abbreviated Journal Inverse Probl  
  Volume 38 Issue 12 Pages (up) 125002-125033  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Advances in multi-spectral detectors are causing a paradigm shift in x-ray computed tomography (CT). Spectral information acquired from these detectors can be used to extract volumetric material composition maps of the object of interest. If the materials and their spectral responses are known a priori, the image reconstruction step is rather straightforward. If they are not known, however, the maps as well as the responses need to be estimated jointly. A conventional workflow in spectral CT involves performing volume reconstruction followed by material decomposition, or vice versa. However, these methods inherently suffer from the ill-posedness of the joint reconstruction problem. To resolve this issue, we propose 'A Dictionary-based Joint reconstruction and Unmixing method for Spectral Tomography' (ADJUST). Our formulation relies on forming a dictionary of spectral signatures of materials common in CT and prior knowledge of the number of materials present in an object. In particular, we decompose the spectral volume linearly in terms of spatial material maps, a spectral dictionary, and the indicator of materials for the dictionary elements. We propose a memory-efficient accelerated alternating proximal gradient method to find an approximate solution to the resulting bi-convex problem. From numerical demonstrations on several synthetic phantoms, we observe that ADJUST performs exceedingly well compared to other state-of-the-art methods. Additionally, we address the robustness of ADJUST against limited and noisy measurement patterns. The demonstration of the proposed approach on a spectral micro-CT dataset shows its potential for real-world applications. Code is available at https://github.com/mzeegers/ADJUST.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000868885200001 Publication Date 2022-09-20  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0266-5611 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 2.1 Times cited Open Access Not_Open_Access  
  Notes Approved Most recent IF: 2.1  
  Call Number UA @ admin @ c:irua:191536 Serial 7280  
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Author Berdiyorov, G.R.; Savel'ev, S.E.; Kusmartsev, F.V.; Peeters, F.M. pdf  doi
openurl 
  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 (up) 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 UA @ lucian @ c:irua:112834 Serial 1573  
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Author Leliaert, J.; Mulkers, J.; De Clercq, J.; Coene, A.; Dvornik, M.; Van Waeyenberge, B. pdf  url
doi  openurl
  Title Adaptively time stepping the stochastic Landau-Lifshitz-Gilbert equation at nonzero temperature: Implementation and validation in MuMax3 Type A1 Journal article
  Year 2017 Publication AIP advances Abbreviated Journal Aip Adv  
  Volume 7 Issue 12 Pages (up) 125010  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract Thermal fluctuations play an increasingly important role in micromagnetic research relevant for various biomedical and other technological applications. Until now, it was deemed necessary to use a time stepping algorithm with a fixed time step in order to perform micromagnetic simulations at nonzero temperatures. However, Berkov and Gorn have shown in [D. Berkov and N. Gorn, J. Phys.: Condens. Matter,14, L281, 2002] that the drift term which generally appears when solving stochastic differential equations can only influence the length of the magnetization. This quantity is however fixed in the case of the stochastic Landau-Lifshitz-Gilbert equation. In this paper, we exploit this fact to straightforwardly extend existing high order solvers with an adaptive time stepping algorithm. We implemented the presented methods in the freely available GPU-accelerated micromagnetic software package MuMax3 and used it to extensively validate the presented methods. Next to the advantage of having control over the error tolerance, we report a twenty fold speedup without a loss of accuracy, when using the presented methods as compared to the hereto best practice of using Heun’s solver with a small fixed time step.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000418492500010 Publication Date 2017-12-11  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2158-3226 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.568 Times cited 13 Open Access  
  Notes This work was supported by the Fonds Wetenschappelijk Onderzoek (FWO-Vlaanderen) through Project No. G098917N and a postdoctoral fellowship (A.C.). J. L. is supported by the Ghent University Special Research Fund (BOF postdoctoral fellowship). We gratefully acknowl- edge the support of NVIDIA Corporation with the donation of the Titan Xp GPU used for this research. Approved Most recent IF: 1.568  
  Call Number CMT @ cmt @c:irua:147860 Serial 4799  
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Author Sidor, Y.; Partoens, B.; Peeters, F.M.; Ben, T.; Ponce, A.; Sales, D.L.; Molina, S.I.; Fuster, D.; González, L.; González, Y. url  doi
openurl 
  Title Excitons in coupled InAs/InP self-assembled quantum wires Type A1 Journal article
  Year 2007 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 75 Issue 12 Pages (up) 125120,1-7  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos 000245330200036 Publication Date 2007-03-30  
  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 24 Open Access  
  Notes Approved Most recent IF: 3.836; 2007 IF: 3.172  
  Call Number UA @ lucian @ c:irua:64293 Serial 1128  
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Author Kenawy, A.; Magnus, W.; Milošević, M.V.; Sorée, B. doi  openurl
  Title Voltage-controlled superconducting magnetic memory Type A1 Journal article
  Year 2019 Publication AIP advances T2 – 64th Annual Conference on Magnetism and Magnetic Materials (MMM), NOV 04-08, 2019, Las Vegas, NV Abbreviated Journal  
  Volume 9 Issue 12 Pages (up) 125223  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract Over the past few decades, superconducting circuits have been used to realize various novel electronic devices such as quantum bits, SQUIDs, parametric amplifiers, etc. One domain, however, where superconducting circuits fall short is information storage. Superconducting memories are based on the quantization of magnetic flux in superconducting loops. Standard implementations store information as magnetic flux quanta in a superconducting loop interrupted by two Josephson junctions (i.e., a SQUID). However, due to the large inductance required, the size of the SQUID loop cannot be scaled below several micrometers, resulting in low-density memory chips. Here, we propose a scalable memory consisting of a voltage-biased superconducting ring threaded by a half-quantum flux bias. By numerically solving the time-dependent Ginzburg-Landau equations, we show that applying a time-dependent bias voltage in the microwave range constitutes a writing mechanism to change the number of stored flux quanta within the ring. Since the proposed device does not require a large loop inductance, it can be scaled down, enabling a high-density memory technology. (C) 2019 Author(s).  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000515525300002 Publication Date 2019-12-20  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2158-3226 ISBN Additional Links UA library record; WoS full record  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:167551 Serial 8740  
Permanent link to this record
 

 
Author Wang, X.F.; Peeters, F.M. url  doi
openurl 
  Title Beating of oscillations in transport coefficients of a one-dimensionally periodically modulatedtwo-dimensional electron gas in the presence of spin-orbit interaction Type A1 Journal article
  Year 2005 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 71 Issue Pages (up) 125301,1-8  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos 000228923300074 Publication Date 2005-03-01  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 35 Open Access  
  Notes Approved Most recent IF: 3.836; 2005 IF: 3.185  
  Call Number UA @ lucian @ c:irua:69405 Serial 223  
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Author Xu, W.; Dong, H.M.; Li, L.L.; Yao, J.Q.; Vasilopoulos, P.; Peeters, F.M. url  doi
openurl 
  Title Optoelectronic properties of graphene in the presence of optical phonon scattering Type A1 Journal article
  Year 2010 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 82 Issue 12 Pages (up) 125304-125304,9  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We study in detail the optoelectronic properties of graphene. Considering the electron interactions with photons and phonons, we employ the mass- and energy-balance equations to self-consistently evaluate the photoinduced carrier densities, the optical conductance, and the transmission coefficient in the presence of a linearly polarized radiation field. We demonstrate that the photoinduced carrier densities increase around the electron-photon-phonon resonant transition. They depend strongly on the radiation intensity and frequency, temperature, and dark carrier density. For short-wavelength radiation (L<3 μm), we obtain the universal optical conductance σ0=e2/(4ℏ). Importantly, there exists an optical-absorption window in the radiation wavelength range 4100 μm, which is induced by different transition energies required for interband and intraband optical absorption. The position and width of this window depend sensitively on the temperature and the carrier density of the system. These theoretical results are in line with recent experimental findings and indicate that graphene exhibits important features not only in the visible regime but also in the midinfrared bandwidth.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000281516500009 Publication Date 2010-09-03  
  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 28 Open Access  
  Notes ; This work was supported by the Chinese Academy of Sciences, National Natural Science Foundation of China, and Department of Science and Technology of Yunnan Province. ; Approved Most recent IF: 3.836; 2010 IF: 3.774  
  Call Number UA @ lucian @ c:irua:84260 Serial 2496  
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Author Topalovic, D.B.; Arsoski, V.V.; Tadic, M.Z.; Peeters, F.M. url  doi
openurl 
  Title Confined electron states in two-dimensional HgTe in magnetic field : quantum dot versus quantum ring behavior Type A1 Journal article
  Year 2019 Publication Physical review B Abbreviated Journal Phys Rev B  
  Volume 100 Issue 12 Pages (up) 125304  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We investigate the electron states and optical absorption in square- and hexagonal-shaped two-dimensional (2D) HgTe quantum dots and quantum rings in the presence of a perpendicular magnetic field. The electronic structure is modeled by means of the sp(3)d(5)s* tight-binding method within the nearest-neighbor approximation. Both bulklike and edge states appear in the energy spectrum. The bulklike states in quantum rings exhibit Aharonov-Bohm oscillations in magnetic field, whereas no such oscillations are found in quantum dots, which is ascribed to the different topology of the two systems. When magnetic field varies, all the edge states in square quantum dots appear as quasibands composed of almost fully flat levels, whereas some edge states in quantum rings are found to oscillate with magnetic field. However, the edge states in hexagonal quantum dots are localized like in rings. The absorption spectra of all the structures consist of numerous absorption lines, which substantially overlap even for small line broadening. The absorption lines in the infrared are found to originate from transitions between edge states. It is shown that the magnetic field can be used to efficiently tune the optical absorption of HgTe 2D quantum dot and quantum ring systems.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000486638400007 Publication Date 2019-09-16  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2469-9969; 2469-9950 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 Projects No. III 41028, No. III 42008, and No. III 45003 funded by the Serbian Ministry of Education, Science and Technological Development, and the Flemish Science Foundation (FWO-Vl). ; Approved Most recent IF: 3.836  
  Call Number UA @ admin @ c:irua:162787 Serial 5409  
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Author Tavernier, M.B.; Anisimovas, E.; Peeters, F.M. url  doi
openurl 
  Title Ground state and vortex structure of the N=5 and N=6 electron quantum dot Type A1 Journal article
  Year 2006 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 74 Issue 12 Pages (up) 125305,1-9  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos 000240872500054 Publication Date 2006-09-13  
  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 23 Open Access  
  Notes Approved Most recent IF: 3.836; 2006 IF: 3.107  
  Call Number UA @ lucian @ c:irua:61000 Serial 1383  
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Author Kálmán, O.; Földi, P.; Benedict, M.G.; Peeters, F.M. url  doi
openurl 
  Title Magnetoconductance of rectangular arrays of quantum rings Type A1 Journal article
  Year 2008 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 78 Issue 12 Pages (up) 125306-125306,10  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Electron transport through multiterminal rectangular arrays of quantum rings is studied in the presence of Rashba-type spin-orbit interaction (SOI) and of a perpendicular magnetic field. Using the analytic expressions for the transmission and reflection coefficients for single rings we obtain the conductance through such arrays as a function of the SOI strength, of the magnetic flux, and of the wave vector k of the incident electron. Due to destructive or constructive spin interferences caused by the SOI, the array can be totally opaque for certain ranges of k, while there are parameter values where it is completely transparent. Spin resolved transmission probabilities show nontrivial spin transformations at the outputs of the arrays. When pointlike random scattering centers are placed between the rings, the Aharonov-Bohm peaks split, and an oscillatory behavior of the conductance emerges as a function of the SOI strength.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000259691500047 Publication Date 2008-09-05  
  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 31 Open Access  
  Notes Approved Most recent IF: 3.836; 2008 IF: 3.322  
  Call Number UA @ lucian @ c:irua:94598 Serial 1913  
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Author Tadić, M.; Čukarić, N.; Arsoski, V.; Peeters, F.M. url  doi
openurl 
  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 (up) 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.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000294777400013 Publication Date 2011-09-09  
  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 13 Open Access  
  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  
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Author Axt, V.M.; Kuhn, T.; Vagov, A.; Peeters, F.M. url  doi
openurl 
  Title Phonon-induced pure dephasing in exciton-biexciton quantum dot systems driven by ultrafast laser pulse sequences Type A1 Journal article
  Year 2005 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 72 Issue 12 Pages (up) 125309-125315  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract A semiconductor quantum dot model accounting for single exciton as well as biexciton states coupled to phonons and laser light is investigated in the limit of strong electronic confinement. For an arbitrary sequence of excitations with ultrafast pulses analytical solutions are obtained for all density-matrix elements. The results are nonperturbative with respect to both the carrier-phonon and the carrier-light coupling. Numerical results for a single pulse excitation are presented illustrating spectral features of our solution as well as pulse area and temperature dependences.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000232229400075 Publication Date 2005-09-08  
  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 48 Open Access  
  Notes Approved Most recent IF: 3.836; 2005 IF: 3.185  
  Call Number UA @ lucian @ c:irua:103139 Serial 2604  
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Author Földi, P.; Kálmán, O.; Peeters, F.M. url  doi
openurl 
  Title Stability of spintronic devices based on quantum ring networks Type A1 Journal article
  Year 2009 Publication Physical review : B : solid state Abbreviated Journal Phys Rev B  
  Volume 80 Issue 12 Pages (up) 125324,1-125324,9  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Transport properties in mesoscopic networks are investigated, where the strength of the (Rashba-type) spin-orbit coupling is tuned with external gate voltages. We analyze in detail to what extent the ideal behavior and functionality of some promising network-based devices are modified by random (spin-dependent) scattering events and by thermal fluctuations. It is found that although the functionality of these devices is obviously based on the quantum coherence of the transmitted electrons, there is a certain stability: moderate level of errors can be tolerated. For mesoscopic networks made of typical semiconductor materials, we found that when the energy distribution of the input carriers is narrow enough, the devices can operate close to their ideal limits even at relatively high temperature. As an example, we present results for two different networks: one that realizes a Stern-Gerlach device and another that simulates a spin quantum walker. Finally we propose a simple network that can act as a narrow band energy filter even in the presence of random scatterers.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos 000270383300091 Publication Date 2009-09-23  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 41 Open Access  
  Notes Approved Most recent IF: 3.836; 2009 IF: 3.475  
  Call Number UA @ lucian @ c:irua:79230 Serial 3131  
Permanent link to this record
 

 
Author Chaves, A.; Farias, G.A.; Peeters, F.M.; Szafran, B. url  doi
openurl 
  Title Wave packet dynamics in semiconductor quantum rings of finite width Type A1 Journal article
  Year 2009 Publication Physical review : B : solid state Abbreviated Journal Phys Rev B  
  Volume 80 Issue 12 Pages (up) 125331,1-125331,14  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The time evolution of a wave packet injected into a semiconductor quantum ring is investigated in order to obtain the transmission and reflection probabilities. Within the effective-mass approximation, the time-dependent Schrödinger equation is solved for a system with nonzero width of the ring and leads and finite potential-barrier heights, where we include smooth lead-ring connections. In the absence of a magnetic field, an analysis of the projection of the wave function over the different subband states shows that when the injected wave packet is within a single subband, the junction can scatter this wave packet into different subbands but remarkably at the second junction the wave packet is scattered back into the subband state of the incoming wave packet. If a magnetic field is applied perpendicularly to the ring plane, transmission and reflection probabilities exhibit Aharonov-Bohm (AB) oscillations and the outgoing electrons may end up in different subband states from those of the incoming electrons. Localized impurities, placed in the ring arms, influence the AB oscillation period and amplitude. For a single impurity or potential barrier of sufficiently strong strength, the period of the AB oscillations is halved while for two impurities localized in diametrically opposite points of the ring, the original AB period is recovered. A theoretical investigation of the confined states and time evolution of wave packets in T wires is also made, where a comparison between this system and the lead-ring junction is drawn.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos 000270383300098 Publication Date 2009-09-25  
  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 40 Open Access  
  Notes Approved Most recent IF: 3.836; 2009 IF: 3.475  
  Call Number UA @ lucian @ c:irua:79231 Serial 3906  
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Author Tadić, M.; Peeters, F.M. url  doi
openurl 
  Title Intersublevel magnetoabsorption in the valence band of p-type InAs/GaAs and Ge/Si self-assembled quantum dots Type A1 Journal article
  Year 2005 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 71 Issue Pages (up) 125342,1-15  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos 000228923300115 Publication Date 2005-04-01  
  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 7 Open Access  
  Notes Approved Most recent IF: 3.836; 2005 IF: 3.185  
  Call Number UA @ lucian @ c:irua:69406 Serial 1716  
Permanent link to this record
 

 
Author Szafran, B.; Peeters, F.M.; Bednarek, S.; Adamowski, J. url  doi
openurl 
  Title Anisotropic quantum dots: Correspondence between quantum and classical Wigner molecules, parity symmetry, and broken-symmetry states Type A1 Journal article
  Year 2004 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 69 Issue Pages (up) 125344,1-15  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos 000221259000107 Publication Date 2004-03-31  
  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 40 Open Access  
  Notes Approved Most recent IF: 3.836; 2004 IF: 3.075  
  Call Number UA @ lucian @ c:irua:69384 Serial 129  
Permanent link to this record
 

 
Author Krstajic, P.; Peeters, F.M. url  doi
openurl 
  Title Spin-dependent tunneling in diluted magnetic semiconductor trilayer structures Type A1 Journal article
  Year 2005 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 72 Issue 12 Pages (up) 125350-125356  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Tunneling of holes through a trilayer structure made of two diluted magnetic semiconductors, (Ga,Mn)As, separated by a thin layer of nonmagnetic AlAs is investigated. The problem is treated within the 6x6 Luttinger-Kohn model for valence bands with the split-off band included. The influence of the spin-orbit coupling is pronounced as the spin-splitting Delta(ex) is comparable with the split-off Delta(SO) splitting. It is assumed that direct tunneling is the dominant mechanism due to the high quality of the tunnel junctions. Our theoretical results predict the correct order of magnitude for the tunneling magnetoresistance ratio, but various other effects, such as scattering on impurities and defects, should be included in order to realize a quantitative agreement with experiment.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000232229400116 Publication Date 2005-09-30  
  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 8 Open Access  
  Notes Approved Most recent IF: 3.836; 2005 IF: 3.185  
  Call Number UA @ lucian @ c:irua:104068 Serial 3086  
Permanent link to this record
 

 
Author Yusupov, M.; Yan, D.; Cordeiro, R.M.; Bogaerts, A. pdf  url
doi  openurl
  Title Atomic scale simulation of H2O2permeation through aquaporin: toward the understanding of plasma cancer treatment Type A1 Journal article
  Year 2018 Publication Journal of physics: D: applied physics Abbreviated Journal J Phys D Appl Phys  
  Volume 51 Issue 12 Pages (up) 125401  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Experiments have demonstrated the potential selective anticancer capacity of cold atmospheric plasmas (CAPs), but the underlying mechanisms remain unclear. Using computer simulations, we try to shed light on the mechanism of selectivity, based on aquaporins (AQPs), i.e. transmembrane protein channels transferring external H 2 O 2 and other reactive oxygen species, created e.g. by CAPs, to the cell interior. Specifically, we perform molecular dynamics simulations for the permeation of H 2 O 2 through AQP1 (one of the members of the AQP family) and the palmitoyl-oleoyl-phosphatidylcholine (POPC) phospholipid bilayer (PLB). The free energy barrier of H 2 O 2 across AQP1 is lower than for the POPC PLB, while the permeability coefficient, calculated using the free energy and diffusion rate profiles, is two orders of magnitude higher. This indicates that the delivery of H 2 O 2 into the cell interior should be through AQP. Our study gives a better insight into the role of AQPs in the selectivity of CAPs for treating cancer cells.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000426378100001 Publication Date 2018-02-28  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0022-3727 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.588 Times cited 7 Open Access OpenAccess  
  Notes MY gratefully acknowledges financial support from the Research Foundation—Flanders (FWO) via Grant No. 1200216N and a travel grant to George Washington University (GWU). The computational work was carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UA), a division of the Flemish Super- computer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UA. Work at GWU was supported by the National Science Foundation, grant 1465061. RMC thanks FAPESP and CNPq for finan- cial support (Grant Nos. 2012/50680-5 and 459270/2014-1, respectively). Approved Most recent IF: 2.588  
  Call Number PLASMANT @ plasmant @c:irua:149382 Serial 4811  
Permanent link to this record
 

 
Author Verberck, B.; Partoens, B.; Peeters, F.M.; Trauzettel, B. url  doi
openurl 
  Title Strain-induced band gaps in bilayer graphene Type A1 Journal article
  Year 2012 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 85 Issue 12 Pages (up) 125403-125403,10  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We present a tight-binding investigation of strained bilayer graphene within linear elasticity theory, focusing on the different environments experienced by the A and B carbon atoms of the different sublattices. We find that the inequivalence of the A and B atoms is enhanced by the application of perpendicular strain epsilon(zz), which provides a physical mechanism for opening a band gap, most effectively obtained when pulling the two graphene layers apart. In addition, perpendicular strain introduces electron-hole asymmetry and can result in linear electronic dispersion near the K point. Our findings suggest experimental means for strain-engineered band gaps in bilayer graphene.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000301113200005 Publication Date 2012-03-06  
  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 53 Open Access  
  Notes ; The authors would like to acknowledge O. Leenaerts, E. Mariani, K. H. Michel, and J. Schelter for useful discussions. B. V. was financially supported by the Flemish Science Foundation (FWO-Vl). This work was financially supported by the ESF program EuroGraphene under projects CONGRAN and ENTS as well as by the DFG. ; Approved Most recent IF: 3.836; 2012 IF: 3.767  
  Call Number UA @ lucian @ c:irua:97181 Serial 3168  
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Author Bacaksiz, C.; Cahangirov, S.; Rubio, A.; Senger, R.T.; Peeters, F.M.; Sahin, H. url  doi
openurl 
  Title Bilayer SnS2 : tunable stacking sequence by charging and loading pressure Type A1 Journal article
  Year 2016 Publication Physical review B Abbreviated Journal Phys Rev B  
  Volume 93 Issue 93 Pages (up) 125403  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Employing density functional theory-based methods, we investigate monolayer and bilayer structures of hexagonal SnS2, which is a recently synthesized monolayer metal dichalcogenide. Comparison of the 1H and 1T phases of monolayer SnS2 confirms the ground state to be the 1T phase. In its bilayer structure we examine different stacking configurations of the two layers. It is found that the interlayer coupling in bilayer SnS2 is weaker than that of typical transition-metal dichalcogenides so that alternative stacking orders have similar structural parameters and they are separated with low energy barriers. A possible signature of the stacking order in the SnS2 bilayer has been sought in the calculated absorbance and reflectivity spectra. We also study the effects of the external electric field, charging, and loading pressure on the characteristic properties of bilayer SnS2. It is found that (i) the electric field increases the coupling between the layers at its preferred stacking order, so the barrier height increases, (ii) the bang gap value can be tuned by the external E field and under sufficient E field, the bilayer SnS2 can become a semimetal, (iii) the most favorable stacking order can be switched by charging, and (iv) a loading pressure exceeding 3 GPa changes the stacking order. The E-field tunable band gap and easily tunable stacking sequence of SnS2 layers make this 2D crystal structure a good candidate for field effect transistor and nanoscale lubricant applications.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000371405000005 Publication Date 2016-03-03  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2469-9950;2469-9969; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 38 Open Access  
  Notes ; The calculations were performed at TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). C.B., H.S., and R.T.S. acknowledge support from TUBITAK Project No. 114F397. H.S. is supported by an FWO Pegasus Marie Curie Fellowship. S.C. and A.R. acknowledge financial support from the Marie Curie grant FP7-PEOPLE-2013-IEF Project No. 628876, the European Research Council (ERC-2010-AdG-267374), and Spanish grant Grupos Consolidados (IT578-13). S.C. acknowledges support from the Scientific and Technological Research Council of Turkey (TUBITAK) under Project No. 115F388. ; Approved Most recent IF: 3.836  
  Call Number UA @ lucian @ c:irua:132345 Serial 4144  
Permanent link to this record
 

 
Author Degani, M.H.; Farias, G.A.; Peeters, F.M. url  doi
openurl 
  Title Bound states and lifetime of an electron on a bulk helium surface Type A1 Journal article
  Year 2005 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 72 Issue 12 Pages (up) 125408-125408,7  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We propose an effective potential for an excess electron near the helium liquid-vapor interface that takes into account the diffuseness of the liquid-vapor interface and the classical image potential. The splitting of the first two excited states of the excess electron bound to the helium liquid-vapor interface as a function of an external constant electric field applied perpendicular to the interface is in excellent agreement with recent experiments. The effect of a parallel magnetic field on the energy levels are calculated. Single-electron tunneling of the electron out of its surface state is studied as a function of the electric field applied to the system. We found that the tunneling time has a linear dependence on the electric field.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000232229400125 Publication Date 2005-09-06  
  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 11 Open Access  
  Notes Approved Most recent IF: 3.836; 2005 IF: 3.185  
  Call Number UA @ lucian @ c:irua:94719 Serial 251  
Permanent link to this record
 

 
Author Khoeini, F.; Shakouri; Peeters, F.M. url  doi
openurl 
  Title Peculiar half-metallic state in zigzag nanoribbons of MoS2 : spin filtering Type A1 Journal article
  Year 2016 Publication Physical review B Abbreviated Journal Phys Rev B  
  Volume 94 Issue 94 Pages (up) 125412  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Layered structures of molybdenum disulfide (MoS2) belong to a new class of two-dimensional (2D) semiconductor materials in which monolayers exhibit a direct band gap in their electronic spectrum. This band gap has recently been shown to vanish due to the presence of metallic edge modes when MoS2 monolayers are terminated by zigzag edges on both sides. Here, we demonstrate that a zigzag nanoribbon of MoS2, when exposed to an external exchange field in combination with a transverse electric field, has the potential to exhibit a peculiar half-metallic nature and thereby allows electrons of only one spin direction to move. The peculiarity of such spin-selective conductors originates from a spin switch near the gap-closing region, so the allowed spin orientation can be controlled by means of an external gate voltage. It is shown that the induced half-metallic phase is resistant to random fluctuations of the exchange field as well as the presence of edge vacancies.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000383238800009 Publication Date 2016-09-09  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2469-9950;2469-9969; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 38 Open Access  
  Notes ; ; Approved Most recent IF: 3.836  
  Call Number UA @ lucian @ c:irua:137130 Serial 4360  
Permanent link to this record
 

 
Author Horzum, S.; Sahin, H.; Cahangirov, S.; Cudazzo, P.; Rubio, A.; Serin, T.; Peeters, F.M. url  doi
openurl 
  Title Phonon softening and direct to indirect band gap crossover in strained single-layer MoSe2 Type A1 Journal article
  Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 87 Issue 12 Pages (up) 125415-5  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Motivated by recent experimental observations of Tongay et al. [Nano Lett. 12, 5576 (2012)] we show how the electronic properties and Raman characteristics of single layer MoSe2 are affected by elastic biaxial strain. We found that with increasing strain: (1) the E' and E '' Raman peaks (E-2g and E-1g in bulk) exhibit significant redshifts (up to similar to 30 cm(-1)), (2) the position of the A'(1) peak remains at similar to 180 cm(-1) (A(1g) in bulk) and does not change considerably with further strain, (3) the dispersion of low energy flexural phonons crosses over from quadratic to linear, and (4) the electronic band structure undergoes a direct to indirect band gap crossover under similar to 3% biaxial tensile strain. Thus the application of strain appears to be a promising approach for a rapid and reversible tuning of the electronic, vibrational, and optical properties of single layer MoSe2 and similar MX2 dichalcogenides. DOI:10.1103/PhysRevB.87.125415  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000316383700006 Publication Date 2013-03-14  
  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 171 Open Access  
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem programme of the Flemish government. Computational resources were partially provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H.S. is supported by a FWO Pegasus Marie Curie Long Fellowship. ; Approved Most recent IF: 3.836; 2013 IF: 3.664  
  Call Number UA @ lucian @ c:irua:108277 Serial 2605  
Permanent link to this record
 

 
Author Michel, K.H.; Çakir, D.; Sevik, C.; Peeters, F.M. url  doi
openurl 
  Title Piezoelectricity in two-dimensional materials : comparative study between lattice dynamics and ab initio calculations Type A1 Journal article
  Year 2017 Publication Physical review B Abbreviated Journal Phys Rev B  
  Volume 95 Issue 95 Pages (up) 125415  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The elastic constant C-11 and piezoelectric stress constant e(1),(11) of two-dimensional (2D) dielectric materials comprising h-BN, 2H-MoS2, and other transition-metal dichalcogenides and dioxides are calculated using lattice dynamical theory. The results are compared with corresponding quantities obtained with ab initio calculations. We identify the difference between clamped-ion and relaxed-ion contributions with the dependence on inner strains which are due to the relative displacements of the ions in the unit cell. Lattice dynamics allows us to express the inner-strain contributions in terms of microscopic quantities such as effective ionic charges and optoacoustical couplings, which allows us to clarify differences in the piezoelectric behavior between h-BN and MoS2. Trends in the different microscopic quantities as functions of atomic composition are discussed.  
  Address  
  Corporate Author Thesis  
  Publisher American Physical Society Place of Publication New York, N.Y Editor  
  Language Wos 000396013400005 Publication Date 2017-03-11  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 29 Open Access  
  Notes ; The authors acknowledge useful discussions with L. Wirtz and A. Molina-Sanchez. This work was supported by the Methusalem program and the Fonds voor Wetenschappelijk Onderzoek-Vlaanderen. Computational resources were provided by HPC infrastructure of the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules foundation. ; Approved Most recent IF: 3.836  
  Call Number UA @ lucian @ c:irua:142444 Serial 4603  
Permanent link to this record
 

 
Author Leenaerts, O.; Partoens, B.; Peeters, F.M. pdf  url
doi  openurl
  Title Adsorption of H2O, NH3, CO, NO2, and NO on graphene: a first-principles study Type A1 Journal article
  Year 2008 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 77 Issue Pages (up) 125416,1-6  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Motivated by the recent realization of graphene sensors to detect individual gas molecules, we investigate the adsorption of H2O, NH3, CO, NO2, and NO on a graphene substrate using first-principles calculations. The optimal adsorption position and orientation of these molecules on the graphene surface is determined and the adsorption energies are calculated. Molecular doping, i.e., charge transfer between the molecules and the graphene surface, is discussed in light of the density of states and the molecular orbitals of the adsorbates. The efficiency of doping of the different molecules is determined and the influence of their magnetic moment is discussed.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos 000254543000133 Publication Date 2008-03-18  
  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 1392 Open Access  
  Notes This work was supported by the Flemish Science Foundation FWO-Vl, by the NOI-BOF of the University of Antwerp, and by the Belgian Science Policy IAP. Approved Most recent IF: 3.836; 2008 IF: 3.322  
  Call Number UA @ lucian @ c:irua:69634 Serial 67  
Permanent link to this record
 

 
Author Bacaksiz, C.; Šabani, D.; Menezes, R.M.; Milošević, M.V. url  doi
openurl 
  Title Distinctive magnetic properties of CrI3 and CrBr3 monolayers caused by spin-orbit coupling Type A1 Journal article
  Year 2021 Publication Physical Review B Abbreviated Journal Phys Rev B  
  Volume 103 Issue 12 Pages (up) 125418  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract After the discovery of magnetism in monolayer CrI3, the magnetic properties of different 2D materials from the chromium-trihalide family are intuitively assumed to be similar, yielding magnetic anisotropy from the spin-orbit coupling on halide ligands. Here we reveal significant differences between the CrI3 and CrBr3 magnetic monolayers in their magnetic anisotropy, resulting Curie temperature, hysteresis in external magnetic field, and evolution of magnetism with strain, all predominantly attributed to distinctly different interplay of atomic contributions to spin-orbit coupling in two materials.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000646179300003 Publication Date 2021-03-17  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 18 Open Access OpenAccess  
  Notes Fonds Wetenschappelijk Onderzoek; Universiteit Antwerpen; Approved Most recent IF: 3.836  
  Call Number CMT @ cmt @c:irua:177506 Serial 6756  
Permanent link to this record
 

 
Author di Vece, M.; Bals, S.; Lievens, P.; Van Tendeloo, G. url  doi
openurl 
  Title Compositional changes of Pd-Au bimetallic nanoclusters upon hydrogenation Type A1 Journal article
  Year 2009 Publication Physical review : B : solid state Abbreviated Journal Phys Rev B  
  Volume 80 Issue 12 Pages (up) 125420,1-125420,4  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Changes in the size distribution and composition of bimetallic Pd-Au nanoclusters have been observed after hydrogen exposure. This effect is caused by hydrogen-induced Ostwald ripening whereby the hydrogen reduces the binding energy of the cluster atoms leading to their detachment from the cluster. The composition changes due to a difference in mobility of the detached palladium and gold atoms on the surface. Fast palladium atoms contribute to the formation of larger nanoclusters, while the slower gold atoms are confined to the smaller nanoclusters. These transformations in the Pd-Au nanocluster size and composition set a limit for chemical reactions in which such nanoclusters are involved together with hydrogen.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos 000270383300121 Publication Date 2009-09-23  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 28 Open Access  
  Notes Fwo; Goa; Iap-Vi; Esteem 026019 Approved Most recent IF: 3.836; 2009 IF: 3.475  
  Call Number UA @ lucian @ c:irua:79232 Serial 445  
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