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Author Zarenia, M.; Hamilton, A.R.; Peeters, F.M.; Neilson, D.
Title Multiband mechanism for the sign reversal of Coulomb drag observed in double bilayer graphene heterostructures Type A1 Journal article
Year 2018 Publication Physical review letters Abbreviated Journal Phys Rev Lett
Volume 121 Issue 3 Pages 036601
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Coupled 2D sheets of electrons and holes are predicted to support novel quantum phases. Two experiments of Coulomb drag in electron-hole (e-h) double bilayer graphene (DBLG) have reported an unexplained and puzzling sign reversal of the drag signal. However, we show that this effect is due to the multiband character of DBLG. Our multiband Fermi liquid theory produces excellent agreement and captures the key features of the experimental drag resistance for all temperatures. This demonstrates the importance of multiband effects in DBLG: they have a strong effect not only on superfluidity, but also on the drag.
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Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000438883600008 Publication Date 2018-07-18
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0031-9007 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 8.462 Times cited (down) 7 Open Access
Notes ; We are grateful to Cory Dean, Emanuel Tutuc, and their research groups for discussing details of their experiments with us. This work was partially supported by the Flemish Science Foundation (FWO-Vl), the Methusalem program of the Flemish government, and the Australian Government through the Australian Research Council Centre of Excellence in Future Low-Energy Electronics Technologies (Project No. CE170100039). D. N. acknowledges support from the University of Camerino FAR project CESEMN. ; Approved Most recent IF: 8.462
Call Number UA @ lucian @ c:irua:152416UA @ admin @ c:irua:152416 Serial 5116
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Author Saniz, R.; Sarmadian, N.; Partoens, B.; Batuk, M.; Hadermann, J.; Marikutsa, A.; Rumyantseva, M.; Gaskov, A.; Lamoen, D.
Title First-principles study of CO and OH adsorption on in-doped ZnO surfaces Type A1 Journal article
Year 2019 Publication The journal of physics and chemistry of solids Abbreviated Journal J Phys Chem Solids
Volume 132 Issue Pages 172-181
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
Abstract We present a first-principles computational study of CO and OH adsorption on non-polar ZnO (10¯10) surfaces doped with indium. The calculations were performed using a model ZnO slab. The position of the In dopants was varied from deep bulk-like layers to

the surface layers. It was established that the preferential location of the In atoms is at the surface by examining the dependence of

the defect formation energy as well as the surface energy on In location. The adsorption sites on the surface of ZnO and the energy

of adsorption of CO molecules and OH-species were determined in connection to In doping. It was found that OH has higher

bonding energy to the surface than CO. The presence of In atoms at the surface of ZnO is favorable for CO adsorption, resulting

in an elongation of the C-O bond and in charge transfer to the surface. The effect of CO and OH adsorption on the electronic

and conduction properties of surfaces was assessed. We conclude that In-doped ZnO surfaces should present a higher electronic

response upon adsorption of CO.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000472124700023 Publication Date 2019-04-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-3697 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.059 Times cited (down) 7 Open Access Not_Open_Access: Available from 26.04.2021
Notes FWO-Vlaanderen, G0D6515N ; ERA.Net RUS Plus, 096 ; VSC; HPC infrastructure of the University of Antwerp; FWO-Vlaanderen; Flemish Government-department EWI; Approved Most recent IF: 2.059
Call Number EMAT @ emat @UA @ admin @ c:irua:159656 Serial 5170
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Author Wang, W.; Van Duppen, B.; Peeters, F.M.
Title Intense-terahertz-laser-modulated magnetopolaron effect on shallow-donor states in the presence of magnetic field in the Voigt configuration Type A1 Journal article
Year 2019 Publication Physical review B Abbreviated Journal Phys Rev B
Volume 99 Issue 1 Pages 014114
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The laser-modulated magnetopolaron effect on shallow donors in semiconductors is investigated in the presence of a magnetic field in the Voigt configuration. A nonperturbative approach is used to describe the electron-photon interaction by including the radiation field in an exact way via a laser-dressed interaction potential. Through a variational approach we evaluate the donor binding energy. We find that the interaction strength of the laser-dressed Coulomb potential in the z direction cannot only be enhanced but also weakened by the radiation field, while that in the x-y plane is only weakened. In this way, the binding energy of the states with odd z parity, like 2p(z) can be decreased or increased with respect to its static binding energy by the radiation field, while that of the other states can be only decreased. Furthermore, all binding energies become insensitive to the magnetic field if the radiation field is strong. The magnetopolaron effect on these energies is studied within second-order time-dependent perturbation theory. In the nonresonant region, a laser-modulated magnetopolaron correction, including the effect of single-photon processes, is observed. In the resonant region, a laser-modulated magnetopolaron effect, accompanied by the emission and absorption of a single photon, is found. Moreover, the 1s -> 2p(+) transition, accompanied by the emission of a single photon, is tuned by the radiation field into resonance with the longitudinal-optical phonon branch. This is electrically analogous to the magnetopolaron effect, and therefore we name it the dynamical magnetopolaron effect. Finally, by changing the frequency of the radiation field, these interesting effects can be tuned to be far away from the reststrahlen band and, therefore, can be detected experimentally. This in turn provides a direct measure of the electron-phonon interaction.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000457057500001 Publication Date 2019-01-29
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 (down) 7 Open Access
Notes ; This work was supported by National Natural Science Foundation of China (Grants No. 11404214, No. 11455015, and No. 61504016) and the China Scholarship Council (CSC), and Science and Technology Research Foundation of Jiangxi Provincial Education Department (Grants No. GJJ161062 and No. GJJ180868). B.V.D. was supported by the Research Foundation – Flanders (FWO-Vl) through a postdoctoral fellowship. ; Approved Most recent IF: 3.836
Call Number UA @ admin @ c:irua:157555 Serial 5218
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Author De Sloovere, D.; Safari, M.; Elen, K.; D'Haen, J.; Drozhzhin, O.A.; Abakumov, A.M.; Simenas, M.; Banys, J.; Bekaert, J.; Partoens, B.; Van Bael, M.K.; Hardy, A.
Title Reduced Na2+xTi4O9 composite : a durable anode for sodium-ion batteries Type A1 Journal article
Year 2018 Publication Chemistry of materials Abbreviated Journal Chem Mater
Volume 30 Issue 23 Pages 8521-8527
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Sodium-ion batteries (SIBs) are potential cost-effective solutions for stationary energy storage applications. Unavailability of suitable anode materials, however, is one of the important barriers to the maturity of SIBs. Here, we report a Na2+xTi4O9/C composite as a promising anode candidate for SIBs with high capacity and cycling stability. This anode is characterized by a capacity of 124 mAh g(-1) (plus 11 mAh g(-1) contributed by carbon black), an average discharge potential of 0.9 V vs Na/Na+, a good rate capability and a high stability (89% capacity retention after 250 cycles at a rate of 1 degrees C). The mechanisms of sodium insertion/deinsertion and of the formation of Na2+xTi4O9/C are investigated with the aid of various ex/in situ characterization techniques. The in situ formed carbon is necessary for the formation of the reduced sodium titanate. This synthesis method may enable the convenient synthesis of other composites of crystalline phases with amorphous carbon.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000453489300014 Publication Date 2018-11-29
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0897-4756 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 9.466 Times cited (down) 7 Open Access
Notes ; This work was supported by the FWO (Research Foundation Flanders, project G040116). O.A.D. and A.M.A. are grateful to the Russian Science Foundation for financial support (Grant 17-73-30006). The authors acknowledge Pieter Samyn for Raman spectroscopy, Fulya Ulu Okudur for preliminary TEM, Bart Ruttens for XRD, Hilde Pellaers for SEM, Tom Haeldermans for elemental analysis, and Karen Leyssen and Vera Meynen for physisorption measurements. ; Approved Most recent IF: 9.466
Call Number UA @ admin @ c:irua:156235 Serial 5227
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Author Bafekry, A.; Nguyen, C.; Obeid, M.M.; Ghergherehchi, M.
Title Modulating the electro-optical properties of doped C₃N monolayers and graphene bilayersviamechanical strain and pressure Type A1 Journal article
Year 2020 Publication New Journal Of Chemistry Abbreviated Journal New J Chem
Volume 44 Issue 36 Pages 15785-15792
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract In this work, we investigated systematically the electronic and optical properties of B doped C3N monolayers as well as B and N doped graphene bilayers (BN-Gr@2L). We found that the doping of B atoms leads to an enlarged band gap of the C3N monolayer and when the dopant concentration reaches 12.5%, an indirect-to-direct band gap switching occurs. In addition, with co-doping of B and N atoms on the graphene monolayer in the hexagonal configuration, an electronic transition from semi-metal to semiconductor occurs. Our optical results for B-C3N show a broad absorption spectrum in a wide visible range starting from 400 nm to 1000 nm with strong absorption intensity, making it a suitable candidate for nanoelectronic and optoelectronic applications. Interestingly, a transition from semi-metal to semiconductor emerges in the graphene monolayer with doping of B and N atoms. Furthermore, our results demonstrate that the in-plane strain and out-of-plane strain (pressure) can modulate the band gap of the BN-Gr@2L. The controllable electronic properties and optical features of the doped graphene bilayer by strain engineering may facilitate their practical performance for various applications in future.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000571972400054 Publication Date 2020-08-18
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1144-0546 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.3 Times cited (down) 7 Open Access
Notes ; This work was supported by the National Research Foundation of Korea (NRF) grant funded by the Korean government (MSIT) (NRF-2017R1A2B2011989). ; Approved Most recent IF: 3.3; 2020 IF: 3.269
Call Number UA @ admin @ c:irua:171936 Serial 6561
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Author Zhang, L.; Zhang, Y.-Y.; Zha, G.-Q.; Milošević, M.V.; Zhou, S.-P.
Title Skyrmionic chains and lattices in s plus id superconductors Type A1 Journal article
Year 2020 Publication Physical Review B Abbreviated Journal Phys Rev B
Volume 101 Issue 6 Pages 064501
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We report characteristic vortex configurations in s + id superconductors with time-reversal symmetry breaking, exposed to magnetic field. A vortex in the s + id state tends to have an opposite phase winding between s- and d-wave condensates. We find that this peculiar feature together with the competition between s- and d-wave symmetry results in three distinct classes of vortical configurations. When either s or d condensate absolutely dominates, vortices form a conventional lattice. However, when one condensate is relatively dominant, vortices organize in chains that exhibit skyrmionic character, separating the chiral components of the s +/- id order parameter into domains within and outside the chain. Such skyrmionic chains are found stable even at high magnetic field. When s and d condensates have comparable strength, vortices split cores in two chiral components to form full-fledged skyrmions, i.e., coreless topological structures with an integer topological charge, organized in a lattice. We provide characteristic magnetic field distributions of all states, enabling their identification in, e.g., scanning Hall probe and scanning SQUID experiments. These unique vortex states are relevant for high-T-c cuprate and iron-based superconductors, where the relative strength of competing pairing symmetries is expected to be tuned by temperature and/or doping level, and can help distinguish s + is and s + id superconducting phases.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000510745600005 Publication Date 2020-02-03
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 3.7 Times cited (down) 7 Open Access
Notes ; The authors acknowledge useful discussions with Yong-Ping Zhang. This research was supported by the National Natural Science Foundation of China under Grants No. 61571277 and No. 61771298. L.-F.Z. and M.V.M. acknowledge support from Research Foundation-Flanders (FWO-Vlaanderen). ; Approved Most recent IF: 3.7; 2020 IF: 3.836
Call Number UA @ admin @ c:irua:166507 Serial 6605
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Author Ceyhan, E.; Yagmurcukardes, M.; Peeters, F.M.; Sahin, H.
Title Electronic and magnetic properties of single-layer FeCl₂ with defects Type A1 Journal article
Year 2021 Publication Physical Review B Abbreviated Journal Phys Rev B
Volume 103 Issue 1 Pages 014106
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The formation of lattice defects and their effect on the electronic properties of single-layer FeCl2 are investigated by means of first-principles calculations. Among the vacancy defects, namely mono-, di-, and three-Cl vacancies and mono-Fe vacancy, the formation of mono-Cl vacancy is the most preferable. Comparison of two different antisite defects reveals that the formation of the Fe-antisite defect is energetically preferable to the Cl-antisite defect. While a single Cl vacancy leads to a 1 mu(B) decrease in the total magnetic moment of the host lattice, each Fe vacant site reduces the magnetic moment by 4 mu(B). However, adsorption of an excess Cl atom on the surface changes the electronic structure to a ferromagnetic metal or to a ferromagnetic semiconductor depending on the adsorption site without changing the ferromagnetic state of the host lattice. Both Cl-antisite and Fe-antisite defected domains change the magnetic moment of the host lattice by -1 mu(B) and +3 mu(B), respectively. The electronic ground state of defected structures reveals that (i) single-layer FeCl2 exhibits half-metallicity under the formation of vacancy and Cl-antisite defects; (ii) ferromagnetic metallicity is obtained when a single Cl atom is adsorbed on upper-Cl and Fe sites, respectively; and (iii) ferromagnetic semiconducting behavior is found when a Cl atom is adsorbed on a lower-Cl site or a Fe-antisite defect is formed. Simulated scanning electron microscope images show that atomic-scale identification of defect types is possible from their electronic charge density. Further investigation of the periodically Fe-defected structures reveals that the formation of the single-layer FeCl3 phase, which is a dynamically stable antiferromagnetic semiconductor, is possible. Our comprehensive analysis on defects in single-layer FeCl2 will complement forthcoming experimental observations.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000606969400002 Publication Date 2021-01-13
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 (down) 7 Open Access Not_Open_Access
Notes ; Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure), and by Flemish Supercomputer Center (VSC). H.S. acknowledges financial support from the Scientific and Technological Research Council of Turkey (TUBITAK) under Project No. 117F095. M.Y. was supported by the Flemish Science Foundation (FWO-Vl) by a postdoctoral fellowship. ; Approved Most recent IF: 3.836
Call Number UA @ admin @ c:irua:176039 Serial 6689
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Author Jalali, H.; Khoeini, F.; Peeters, F.M.; Neek-Amal, M.
Title Hydration effects and negative dielectric constant of nano-confined water between cation intercalated MXenes Type A1 Journal article
Year 2021 Publication Nanoscale Abbreviated Journal Nanoscale
Volume 13 Issue 2 Pages 922-929
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract Using electrochemical methods a profound enhancement of the capacitance of electric double layer capacitor electrodes was reported when water molecules are strongly confined into the two-dimensional slits of titanium carbide MXene nanosheets [A. Sugahara et al., Nat. Commun., 2019, 10, 850]. We study the effects of hydration on the dielectric properties of nanoconfined water and supercapacitance properties of the cation intercalated MXene. A model for the electric double layer capacitor is constructed where water molecules are strongly confined in two-dimensional slits of MXene. We report an abnormal dielectric constant and polarization of nano-confined water between MXene layers. We found that by decreasing the ionic radius of the intercalated cations and in a critical hydration shell radius the capacitance of the system increases significantly (similar or equal to 200 F g(-1)) which can be interpreted as a negative permittivity. This study builds a bridge between the fundamental understanding of the dielectric properties of nanoconfined water and the capability of using MXene films for supercapacitor technology, and in doing so provides a solid theoretical support for recent experiments.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000610368100035 Publication Date 2020-12-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2040-3364 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 7.367 Times cited (down) 7 Open Access Not_Open_Access
Notes ; ; Approved Most recent IF: 7.367
Call Number UA @ admin @ c:irua:176141 Serial 6690
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Author Alihosseini, M.; Ghasemi, S.; Ahmadkhani, S.; Alidoosti, M.; Esfahani, D.N.; Peeters, F.M.; Neek-Amal, M.
Title Electronic properties of oxidized graphene : effects of strain and an electric field on flat bands and the energy gap Type A1 Journal article
Year 2021 Publication The journal of physical chemistry letters Abbreviated Journal J Phys Chem Lett
Volume Issue Pages
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract A multiscale modeling and simulation approach, including first-principles calculations, ab initio molecular dynamics simulations, and a tight binding approach, is employed to study band flattening of the electronic band structure of oxidized monolayer graphene. The width offlat bands can be tuned by strain, the external electric field, and the density of functional groups and their distribution. A transition to a conducting state is found for monolayer graphene with impurities when it is subjected to an electric field of similar to 1.0 V/angstrom. Several parallel impurity-induced flat bands appear in the low-energy spectrum of monolayer graphene when the number of epoxy groups is changed. The width of the flat band decreases with an increase in tensile strain but is independent of the electric field strength. Here an alternative and easy route for obtaining band flattening in thermodynamically stable functionalized monolayer graphene is introduced. Our work discloses a new avenue for research on band flattening in monolayer graphene.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000737988100001 Publication Date 2021-12-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1948-7185 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 9.353 Times cited (down) 7 Open Access Not_Open_Access
Notes Approved Most recent IF: 9.353
Call Number UA @ admin @ c:irua:184725 Serial 6987
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Author Chaney, G.; Cakir, D.; Peeters, F.M.; Ataca, C.
Title Stability of adsorption of Mg and Na on sulfur-functionalized MXenes Type A1 Journal article
Year 2021 Publication Physical Chemistry Chemical Physics Abbreviated Journal Phys Chem Chem Phys
Volume 23 Issue 44 Pages 25424-25433
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Two-dimensional materials composed of transition metal carbides and nitrides (MXenes) are poised to revolutionize energy conversion and storage. In this work, we used density functional theory (DFT) to investigate the adsorption of Mg and Na adatoms on five M2CS2 monolayers (where M = Mo, Nb, Ti, V, and Zr) for battery applications. We assessed the stability of the adatom (i.e. Na and Mg)-monolayer systems by calculating adsorption and formation energies, as well as voltages as a function of surface coverage. For instance, we found that Mo2CS2 cannot support a full layer of Na nor even a single Mg atom. Na and Mg exhibit the strongest binding on Zr2CS2, followed by Ti2CS2, Nb2CS2 and V2CS2. Using the nudged elastic band method (NEB), we computed promising diffusion barriers for both dilute and nearly full ion surface coverage cases. In the dilute ion adsorption case, a single Mg and Na atom on Ti2CS2 experience similar to 0.47 eV and similar to 0.10 eV diffusion barriers between the lowest energy sites, respectively. For a nearly full surface coverage, a Na ion moving on Ti2CS2 experiences a similar to 0.33 eV energy barrier, implying a concentration-dependent diffusion barrier. Our molecular dynamics results indicate that the three (one) layers (layer) of the Mg (Na) ion on both surfaces of Ti2CS2 remain stable at T = 300 K. While, according to voltage calculations, Zr2CS2 can store Na up to three atomic layers, our MD simulations predict that the outermost layers detach from the Zr2CS2 monolayer due to the weak interaction between Na ions and the monolayer. This suggests that MD simulations are essential to confirm the stability of an ion-electrode system – an insight that is mostly absent in previous studies.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000716024400001 Publication Date 2021-10-22
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 (down) 7 Open Access Not_Open_Access
Notes Approved Most recent IF: 4.123
Call Number UA @ admin @ c:irua:184075 Serial 7020
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Author Chen, Q.; Guo, A.-M.; Liu, J.; Peeters, F.M.; Sun, Q.-F.
Title Topological phase transitions and Majorana zero modes in DNA double helix coupled to s-wave superconductors Type A1 Journal article
Year 2021 Publication New Journal Of Physics Abbreviated Journal New J Phys
Volume 23 Issue 9 Pages 093047
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Topological properties of a double-stranded DNA (dsDNA) proximity-coupled by an s-wave superconductor are investigated, in which the energy spectra and the differential conductance are calculated within the framework of tight-binding approximation. Our results indicate that this dsDNA-superconductor system hosts Majorana zero modes (MZMs) when the Zeeman field is perpendicular to the helix axis, whereas no MZM could be observed when the Zeeman field is parallel to the helix axis, in sharp contrast to previous studies on nanowires including single-stranded DNA. In particular, two topological phase transitions could take place in the dsDNA-superconductor system by changing the Zeeman field, one from a topological trivial phase to a topological nontrivial phase with one pair of MZMs in small Zeeman field regime, and the other from a phase with one pair of MZMs to a phase with two pairs of MZMs by further increasing the Zeeman field. In the presence of a gate field normal to the helix axis, the topological nontrivial phase with two pairs of MZMs can transform into the phase with one pair of MZMs. The topological phase with one pair of MZMs is more stable and robust against Anderson disorder.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000702122000001 Publication Date 2021-09-15
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 (down) 7 Open Access OpenAccess
Notes Approved Most recent IF: 3.786
Call Number UA @ admin @ c:irua:182597 Serial 7033
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Author Shafiei, M.; Fazileh, F.; Peeters, F.M.; Milošević, M.V.
Title Controlling the hybridization gap and transport in a thin-film topological insulator : effect of strain, and electric and magnetic field Type A1 Journal article
Year 2022 Publication Physical review B Abbreviated Journal Phys Rev B
Volume 106 Issue 3 Pages 035119-7
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract In a thin-film topological insulator (TI), the edge states on two surfaces may couple by quantum tunneling, opening a gap known as the hybridization gap. Controlling the hybridization gap and transport has a variety of potential uses in photodetection and energy-harvesting applications. In this paper, we report the effect of strain, and electric and magnetic field, on the hybridization gap and transport in a thin Bi2Se3 film, investigated within the tight-binding theoretical framework. We demonstrate that vertical compression decreases the hybridization gap, as does tensile in-plane strain. Applying an electric field breaks the inversion symmetry and leads to a Rashba-like spin splitting proportional to the electric field, hence closing and reopening the gap. The influence of a magnetic field on thin-film TI is also discussed, starting from the role of an out-of-plane magnetic field on quantum Hall states. We further demonstrate that the hybridization gap can be controlled by an in-plane magnetic field, and that by applying a sufficiently strong field a quantum phase transition from an insulator to a semimetal can be achieved.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000832277500001 Publication Date 2022-07-13
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 3.7 Times cited (down) 7 Open Access Not_Open_Access
Notes Approved Most recent IF: 3.7
Call Number UA @ admin @ c:irua:189515 Serial 7140
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Author Conti, S.; Perali, A.; Hamilton, A.R.; Milošević, M.V.; Peeters, F.M.; Neilson, D.
Title Chester supersolid of spatially indirect excitons in double-layer semiconductor heterostructures Type A1 Journal article
Year 2023 Publication Physical review letters Abbreviated Journal
Volume 130 Issue 5 Pages 057001-57006
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract A supersolid, a counterintuitive quantum state in which a rigid lattice of particles flows without resistance, has to date not been unambiguously realized. Here we reveal a supersolid ground state of excitons in a double-layer semiconductor heterostructure over a wide range of layer separations outside the focus of recent experiments. This supersolid conforms to the original Chester supersolid with one exciton per supersolid site, as distinct from the alternative version reported in cold-atom systems of a periodic density modulation or clustering of the superfluid. We provide the phase diagram augmented by the supersolid. This new phase appears at layer separations much smaller than the predicted exciton normal solid, and it persists up to a solid-solid transition where the quantum phase coherence collapses. The ranges of layer separations and exciton densities in our phase diagram are well within reach of the current experimental capabilities.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000968650900001 Publication Date 2023-02-01
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0031-9007; 1079-7114 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 8.6 Times cited (down) 7 Open Access Not_Open_Access
Notes Approved Most recent IF: 8.6; 2023 IF: 8.462
Call Number UA @ admin @ c:irua:196742 Serial 8817
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Author van Dyck, D.; Van Aert, S.; Croitoru, M.
Title Atomic resolution electron tomography: a dream? Type A1 Journal article
Year 2006 Publication International journal of materials research Abbreviated Journal Int J Mater Res
Volume 97 Issue 7 Pages 872-879
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT); Vision lab
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000239916700003 Publication Date 2013-12-09
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1862-5282;2195-8556; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 0.681 Times cited (down) 6 Open Access
Notes Approved Most recent IF: 0.681; 2006 IF: NA
Call Number UA @ lucian @ c:irua:60965 Serial 176
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Author Wang, X.F.; Vasilopoulos, P.; Peeters, F.M.
Title Band structure of a two-dimensional electron gas in the presence of two-dimensional electric and magnetic modulations and a perpendicular magnetic field Type A1 Journal article
Year 2004 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 70 Issue Pages 155312,1-8
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000224855900054 Publication Date 2004-10-19
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 (down) 6 Open Access
Notes Approved Most recent IF: 3.836; 2004 IF: 3.075
Call Number UA @ lucian @ c:irua:69393 Serial 218
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Author Anisimovas, E.; Peeters, F.M.
Title Biexciton spin and angular momentum transitions in vertically coupled 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 115319,1-8
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000228065500094 Publication Date 2005-03-22
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 (down) 6 Open Access
Notes Approved Most recent IF: 3.836; 2005 IF: 3.185
Call Number UA @ lucian @ c:irua:69403 Serial 232
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Author Grujić, M.M.; Tadic, M.Z.; Peeters, F.M.
Title Chiral properties of topological-state loops Type A1 Journal article
Year 2015 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 91 Issue 91 Pages 245432
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The angular momentum quantization of chiral gapless modes confined to a circularly shaped interface between two different topological phases is investigated. By examining several different setups, we show analytically that the angular momentum of the topological modes exhibits a highly chiral behavior, and can be coupled to spin and/or valley degrees of freedom, reflecting the nature of the interface states. A simple general one-dimensional model, valid for arbitrarily shaped loops, is shown to predict the corresponding energies and the magnetic moments. These loops can be viewed as building blocks for artificial magnets with tunable and highly diverse properties.
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000356928200005 Publication Date 2015-06-27
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 (down) 6 Open Access
Notes ; This work was supported by the Ministry of Education, Science and Technological Development (Serbia), and the Fonds Wetenschappelijk Onderzoek (Belgium). ; Approved Most recent IF: 3.836; 2015 IF: 3.736
Call Number c:irua:127039 Serial 357
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Author Payette, C.; Amaha, S.; Yu, G.; Gupta, J.A.; Austing, D.G.; Nair, S.V.; Partoens, B.; Tarucha, S.
Title Coherent level mixing in dot energy spectra measured by magnetoresonant tunneling spectroscopy of vertical quantum dot molecules Type A1 Journal article
Year 2010 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 81 Issue 24 Pages 245310,1-245310,15
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We study by magnetoresonant tunneling spectroscopy single-particle energy spectra of the constituent weakly coupled dots in vertical quantum dot molecules over a wide energy window. The measured energy spectra are well modeled by calculated spectra for dots with in-plane confinement potentials that are elliptical and parabolic in form. However, in the regions where two, three, or four single-particle energy levels are naively expected to cross, we observe pronounced level anticrossing behavior and strong variations in the resonant currents as a consequence of coherent mixing induced by small deviations in the nearly ideal dot confinement potentials. We present detailed analysis of the energy spectra, and focus on two examples of three-level crossings whereby the coherent mixing leads to concurrent suppression and enhancement of the resonant currents when the anticrossing levels are minimally separated. The suppression of resonant current is of particular interest since it is a signature of dark state formation due to destructive interference. We also describe in detail and compare two measurement strategies to reliably extract the resonant currents required to characterize the level mixing.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000278606100003 Publication Date 2010-06-10
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 (down) 6 Open Access
Notes ; We thank A. Bezinger, D. Roth, and M. Malloy for assistance with some of the processing, and K. Ono, T. Kodera, T. Hatano, Y. Tokura, M. Stopa, M. Hilke, G.C. Aers, M. Korkusinski, and R. M. Abolfath for useful discussions. Part of this work is supported by NSERC (Discovery Grant No. 208201), Flemish Science Foundation (FWO-VI), Grant-in-Aid for Scientific Research S (Grant No. 191040070), B (Grant No. 18340081), and by Special Coordination Funds for Promoting Science and Technology, and MEXT. S.T. acknowledges support from QuEST program (BAA-0824). ; Approved Most recent IF: 3.836; 2010 IF: 3.774
Call Number UA @ lucian @ c:irua:83095 Serial 379
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Author Milošević, M.V.; Peeters, F.M.
Title Commensurate vortex configurations in thin superconducting films nanostructured by square lattice of magnetic dots Type A1 Journal article
Year 2004 Publication Physica: C : superconductivity Abbreviated Journal Physica C
Volume 404 Issue Pages 246-250
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000221211500045 Publication Date 2004-02-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0921-4534; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.404 Times cited (down) 6 Open Access
Notes Approved Most recent IF: 1.404; 2004 IF: 1.072
Call Number UA @ lucian @ c:irua:44979 Serial 407
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Author Miglio, A.; Saniz, R.; Waroquiers, D.; Stankovski, M.; Giantomassi, M.; Hautier, G.; Rignanese, G.-M.; Gonze, X.
Title Computed electronic and optical properties of SnO2 under compressive stress Type A1 Journal article
Year 2014 Publication Optical materials Abbreviated Journal Opt Mater
Volume 38 Issue Pages 161-166
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We consider the effects of three different types of applied compressive stress on the structural, electronic and optical properties of rutile SnO2. We use standard density functional theory (OFT) to determine the structural parameters. The effective masses and the electronic band gap, as well as their stress derivatives, are computed within both DFT and many-body perturbation theory (MBPT). The stress derivatives for the SnO2 direct band gap are determined to be 62, 38 and 25 meV/GPa within MBPT for applied hydrostatic, biaxial and uniaxial stress, respectively. Compared to DFT, this is a clear improvement with respect to available experimental data. We also estimate the exciton binding energies and their stress coefficients and compute the absorption spectrum by solving the Bethe-Salpeter equation. (C) 2014 Elsevier B.V. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000346228800028 Publication Date 2014-11-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0925-3467; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.238 Times cited (down) 6 Open Access
Notes ; This work was supported by the FRS-FNRS through a FRIA grant (D.W.) and a FNRS grant (G.H.). This work was also supported by the IWT Project Number 080023 (ISIMADE), the Region Wallonne through WALL-ETSF project Number 816849, the EU-FP7 HT4TCOS Grant No. PCIG11-GA-2912-321988, the FRS-FNRS through contracts FRFC Number 2.4.589.09.F and AIXPHO (PDR Grant T-0238.13). The authors would like to thank Yann Pouillon and Jean-Michel Beuken for their valuable technical support and help with the test and build system of ABINIT. Computational resources have been provided by the supercomputing facilities of the Universite catholique de Louvain (CISM/UCL) and the Consortium des Equipements de Calcul Intensif en Federation Wallonie Bruxelles (CECI) funded by the Fonds de la Recherche Scientifique de Belgique (FRS-FNRS) under Grant No. 2.5020.11. ; Approved Most recent IF: 2.238; 2014 IF: 1.981
Call Number UA @ lucian @ c:irua:122747 Serial 460
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Author Saniz, R.; Partoens, B.; Peeters, F.M.
Title Confinement effects on electron and phonon degrees of freedom in nanofilm superconductors : a Green function approach Type A1 Journal article
Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 87 Issue 6 Pages 064510-64513
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The Green function approach to the Bardeen-Cooper-Schrieffer theory of superconductivity is used to study nanofilms. We go beyond previous models and include effects of confinement on the strength of the electron-phonon coupling as well as on the electronic spectrum and on the phonon modes. Within our approach, we find that in ultrathin films, confinement effects on the electronic screening become very important. Indeed, contrary to what has been advanced in recent years, the sudden increases of the density of states when new bands start to be occupied as the film thickness increases, tend to suppress the critical temperature rather than to enhance it. On the other hand, the increase of the number of phonon modes with increasing number of monolayers in the film leads to an increase in the critical temperature. As a consequence, the superconducting critical parameters in such nanofilms are determined by these two competing effects. Furthermore, in sufficiently thin films, the condensate consists of well-defined subcondensates associated with the occupied bands, each with a distinct coherence length. The subcondensates can interfere constructively or destructively giving rise to an interference pattern in the Cooper pair probability density.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000315374100009 Publication Date 2013-02-25
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 (down) 6 Open Access
Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl). R.S. thanks M. R. Norman, B. Soree, and L. Komendova for useful comments. ; Approved Most recent IF: 3.836; 2013 IF: 3.664
Call Number UA @ lucian @ c:irua:107072 Serial 487
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Author Riva, C.; Peeters, F.M.; Varga, K.; Schweigert, V.A.
Title Correlation energy and configuration of biexcitons in quantum wells Type A1 Journal article
Year 2002 Publication Physica status solidi: B: basic research Abbreviated Journal Phys Status Solidi B
Volume 234 Issue 1 Pages 50-57
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract A calculation of the energy of a biexciton in a GaAs/AlGaAs quantum wen is presented. We compare the results obtained using two different techniques. We discuss the dependence of the biexciton correlation energy and binding energy on the electron/hole mass ratio and on the well width. The structure of the biexciton is also investigated.
Address
Corporate Author Thesis
Publisher Place of Publication Berlin Editor
Language Wos 000179600900009 Publication Date 2002-11-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0370-1972;1521-3951; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.674 Times cited (down) 6 Open Access
Notes Approved Most recent IF: 1.674; 2002 IF: 0.930
Call Number UA @ lucian @ c:irua:99604 Serial 526
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Author Li, J.; Chang, K.; Peeters, F.M.
Title Dyakonov-Perel spin relaxation in InSb/AlxIn1-xSb quantum wells Type A1 Journal article
Year 2009 Publication Physical review : B : solid state Abbreviated Journal Phys Rev B
Volume 80 Issue 15 Pages 153307,1-153307,4
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We investigate theoretically the Dyakonov-Perel spin relaxation time by solving the eight-band Kane model and Poisson equation self-consistently. Our results show distinct behavior with the single-band model due to the anomalous spin-orbit interactions in narrow band-gap semiconductors, and agree well with the experiment values reported in recent experiment [K. L. Litvinenko et al., New J. Phys. 8, 49 (2006)]. We find a strong resonant enhancement of the spin relaxation time appears for spin align along [11̅ 0] at a certain electron density at 4 K. This resonant peak is smeared out with increasing the temperature.
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000271352000015 Publication Date 2009-11-02
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 (down) 6 Open Access
Notes Approved Most recent IF: 3.836; 2009 IF: 3.475
Call Number UA @ lucian @ c:irua:79996 Serial 760
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Author Cabral, L.R.E.; Peeters, F.M.
Title Elastic modes of vortex configurations in thin disks Type A1 Journal article
Year 2004 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 70 Issue Pages 214522,1-13
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000226111400123 Publication Date 2004-12-27
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 (down) 6 Open Access
Notes Approved Most recent IF: 3.836; 2004 IF: 3.075
Call Number UA @ lucian @ c:irua:69399 Serial 879
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Author Pogosov, W.V.; Lin, N.; Misko, V.R.
Title Electron-hole symmetry and solutions of Richardson pairing model Type A1 Journal article
Year 2013 Publication European physical journal : B : condensed matter and complex systems Abbreviated Journal Eur Phys J B
Volume 86 Issue 5 Pages 235-236
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Richardson approach provides an exact solution of the pairing Hamiltonian. This Hamiltonian is characterized by the electron-hole pairing symmetry, which is however hidden in Richardson equations. By analyzing this symmetry and using an additional conjecture, fulfilled in solvable limits, we suggest a simple expression of the ground state energy for an equally-spaced energy-level model, which is applicable along the whole crossover from the superconducting state to the pairing fluctuation regime. Solving Richardson equations numerically, we demonstrate a good accuracy of our expression.
Address
Corporate Author Thesis
Publisher Place of Publication Berlin Editor
Language Wos 000320286200044 Publication Date 2013-05-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1434-6028;1434-6036; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.461 Times cited (down) 6 Open Access
Notes ; This work was supported by the “Odysseus” Program of the Flemish Government and the Flemish Science Foundation (FWO-Vl). W.V.P. acknowledges useful discussions with Monique Combescot and the support from the Dynasty Foundation, the RFBR (project No. 12-02-00339), and RFBR-CNRS programme (project No. 12-02-91055). ; Approved Most recent IF: 1.461; 2013 IF: 1.463
Call Number UA @ lucian @ c:irua:109657 Serial 935
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Author Misko, V.R.; Savel'ev, S.; Nori, F.
Title Enhancement of the critical current in quasiperiodic pinning arrays : one-dimensional chains and Penrose lattices Type A1 Journal article
Year 2006 Publication Physica: C : superconductivity T2 – 4th International Conferene on Vortex Matter in Nanostructured, Superconductors (VORTEX IV), SEP 03-09, 2005, Iraklion, GREECE Abbreviated Journal Physica C
Volume 437-38 Issue Pages 213-216
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Here we summarize results from our study of the critical depinning current J(c) versus the applied magnetic flux Phi, for: (i) quasiperiodic (QP) one-dimensional (1D) chains and (ii) 2D arrays of pinning centers placed on the nodes of a five-fold Penrose lattice. In 1D QP chains, the peaks in J(c)(Phi) are determined by a sequence of harmonics of the long and short segments of the chain. The critical current J(c)(Phi) has a remarkable self-similarity. In 2D QP pinning arrays, we predict analytically and numerically the main features of J(c)(Phi), and demonstrate that the Penrose lattice of pinning sites provides an enormous enhancement of J(c)(Phi), even compared to triangular and random pinning site arrays. This huge increase in J(c)(Phi) could be useful for applications. (c) 2005 Elsevier B.V. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000238395700051 Publication Date 2006-02-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0921-4534; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.404 Times cited (down) 6 Open Access
Notes Approved Most recent IF: 1.404; 2006 IF: 0.792
Call Number UA @ lucian @ c:irua:102707 Serial 1064
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Author Langerak, C.J.G.M.; Singleton, J.; Perenboom, J.A.A.; Devreese, J.T.; Barnes, D.J.; Nicholas, R.J.; Huant, S.; Harris, J.J.; Foxon, C.T.; Etienne, B.; Peeters, F.M.
Title Far-infrared magneto-optical studies of the polaron effect in low dimensional GaAs-(Ga,Al)As structures Type A1 Journal article
Year 1991 Publication Physica scripta Abbreviated Journal Phys Scripta
Volume T39 Issue Pages 308-313
Keywords A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Stockholm Editor
Language Wos A1991GV57300048 Publication Date 2007-01-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0031-8949;1402-4896; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.126 Times cited (down) 6 Open Access
Notes Approved no
Call Number UA @ lucian @ c:irua:944 Serial 1173
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Author Bekaert, J.; Saniz, R.; Partoens, B.; Lamoen, D.
Title First-principles study of carbon impurities in CuInSe2 and CuGaSe2, present in non-vacuum synthesis methods Type A1 Journal article
Year 2015 Publication Journal of applied physics Abbreviated Journal J Appl Phys
Volume 117 Issue 117 Pages 015104
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
Abstract A first-principles study of the structural and electronic properties of carbon impurities in CuInSe2 and CuGaSe2 is presented. Carbon is present in organic molecules in the precursor solutions used in non-vacuum growth methods for CuInSe2 and CuGaSe2 based photovoltaic cells. These growth methods make more efficient use of material, time, and energy than traditional vacuum methods. The formation energies of several carbon impurities are calculated using the hybrid HSE06 functional. C Cu acts as a shallow donor, CIn and interstitial C yield deep donor levels in CuInSe2, while in CuGaSe2 CGa and interstitial C act as deep amphoteric defects. So, these defects reduce the majority carrier (hole) concentration in p-type CuInSe2 and CuGaSe2 by compensating the acceptor levels. The deep defects are likely to act as recombination centers for the photogenerated charge carriers and are thus detrimental for the performance of the photovoltaic cells. On the other hand, the formation energies of the carbon impurities are high, even under C-rich growth conditions. Thus, few C impurities will form in CuInSe2 and CuGaSe2 in thermodynamic equilibrium. However, the deposition of the precursor solution in non-vacuum growth methods presents conditions far from thermodynamic equilibrium. In this case, our calculations show that C impurities formed in non-equilibrium tend to segregate from CuInSe2 and CuGaSe2 by approaching thermodynamic equilibrium, e.g., via thorough annealing.
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000347958600055 Publication Date 2015-01-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-8979;1089-7550; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.068 Times cited (down) 6 Open Access
Notes FWO G015013; Hercules Approved Most recent IF: 2.068; 2015 IF: 2.183
Call Number c:irua:122064 Serial 1215
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Author Verberck, B.; Heresanu, V.; Rouziere, S.; Cambedouzou, J.; Launois, P.; Kovats, E.; Pekker, S.; Vliegenthart, G.A.; Michel, K.H.; Gompper, G.
Title Fullerene-cubane : X-ray scattering experiments and Monte Carlo simulations Type A1 Journal article
Year 2008 Publication Fullerenes, nanotubes, and carbon nanostructures T2 – 8th Biennial International Workshop on Fullerenes and Atomic Clusters, (IWFAC 2007), JUL 02-06, 2007, St Petersburg, RUSSIA Abbreviated Journal Fuller Nanotub Car N
Volume 16 Issue 5-6 Pages 293-300
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract We report single-crystal X-ray diffuse scattering measurements on C-60.C8H8 fullerene-cubane showing that the C-60 molecules are orientationally disordered at 300 and 150K and get ordered at low temperatures. Monte Carlo simulations provide further insight in the orientational behavior of both C-60 and C8H8 molecules; low-temperature molecular orientations are predicted.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000259645200003 Publication Date 2008-09-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1536-383X;1536-4046; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.35 Times cited (down) 6 Open Access
Notes Approved Most recent IF: 1.35; 2008 IF: 0.680
Call Number UA @ lucian @ c:irua:102640 Serial 1295
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Author Nguten, N.T.T.; Peeters, F.M.
Title Many-body effects in the cyclotron resonance of a magnetic dot Type A1 Journal article
Year 2009 Publication Physical review : B : solid state Abbreviated Journal Phys Rev B
Volume 80 Issue 11 Pages 115335,1-115335,9
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Intraband cyclotron resonance (CR) transitions of a two-electron quantum dot containing a single magnetic ion is investigated for different Coulomb interaction strengths and different positions of the magnetic ion. In contrast to the usual parabolic quantum dots where CR is independent of the number of electrons, we found here that due to the presence of the magnetic ion Kohn's theorem no longer holds and CR is different for systems with different number of electrons and different effective electron-electron Coulomb interaction strength. Many-body effects result in shifts in the transition energies and change the number of CR lines. The position of the magnetic ion inside the quantum dot affects the structure of the CR spectrum by changing the position and the number of crossings and anticrossings in the transition energies and oscillator strengths.
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000270383200110 Publication Date 2009-09-30
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 (down) 6 Open Access
Notes Approved Most recent IF: 3.836; 2009 IF: 3.475
Call Number UA @ lucian @ c:irua:79228 Serial 1941
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