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Author | Augustyns, V.; van Stiphout, K.; Joly, V.; Lima, T.A.L.; Lippertz, G.; Trekels, M.; Menendez, E.; Kremer, F.; Wahl, U.; Costa, A.R.G.; Correia, J.G.; Banerjee, D.; Gunnlaugsson, H.P.; von Bardeleben, J.; Vickridge, I.; Van Bael, M.J.; Hadermann, J.; Araujo, J.P.; Temst, K.; Vantomme, A.; Pereira, L.M.C. | ||||
Title | Evidence of tetragonal distortion as the origin of the ferromagnetic ground state in gamma-Fe nanoparticles | Type | A1 Journal article | ||
Year | 2017 | Publication ![]() |
Physical review B | Abbreviated Journal | Phys Rev B |
Volume | 96 | Issue | 17 | Pages | 174410 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | <script type='text/javascript'>document.write(unpmarked('gamma-Fe and related alloys are model systems of the coupling between structure and magnetism in solids. Since different electronic states (with different volumes and magnetic ordering states) are closely spaced in energy, small perturbations can alter which one is the actual ground state. Here, we demonstrate that the ferromagnetic state of gamma-Fe nanoparticles is associated with a tetragonal distortion of the fcc structure. Combining a wide range of complementary experimental techniques, including low-temperature Mossbauer spectroscopy, advanced transmission electron microscopy, and synchrotron radiation techniques, we unambiguously identify the tetragonally distorted ferromagnetic ground state, with lattice parameters a = 3.76(2) angstrom and c = 3.50(2) angstrom, and a magnetic moment of 2.45(5) mu(B) per Fe atom. Our findings indicate that the ferromagnetic order in nanostructured gamma-Fe is generally associated with a tetragonal distortion. This observation motivates a theoretical reassessment of the electronic structure of gamma-Fe taking tetragonal distortion into account.')); | ||||
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Publisher | American Physical Society | Place of Publication | New York, N.Y | Editor | |
Language | Wos | 000414525200005 | Publication Date | 2017-11-07 | |
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 | 1 | Open Access | OpenAccess |
Notes | ; The authors thank the Fund for Scientific Research-Flanders, the Concerted Research Action of the KU Leuven (GOA/14/007), the KU Leuven BOF (STRT/14/002), the Hercules Foundation, the Portuguese Foundation for Science and Technology (CERN/FIS-NUC/0004/2015), and the European Union Seventh Framework through ENSAR2 (European Nuclear Science and Applications Research, Project No. 654002), and SPIRIT (Support of Public and Industrial Research Using Ion Beam Technology, Contract No. 227012). We acknowledge the European Synchrotron Radiation Facility (ESRF) for providing beam time (experiments 26-01-1018, 26-01-1057, 20-02-728, HC-1850, HC-2208), as well as C. Baehtz, N. Boudet, and N. Blancand for support during the experiments. We acknowledge the ISOLDE-CERN facility for providing beam time (experiment IS580) and technical assistance. The authors (L.M.C.P., F.K.) acknowledge the facilities and the scientific and technical assistance of the Australian Microscopy & Microanalysis Research Facility at the Centre for Advanced Microscopy, Australian National University. We also acknowledge the contribution of Prof. Mark Ridgway (Australian National University), who passed away before the work was completed. ; | Approved | Most recent IF: 3.836 | ||
Call Number | UA @ lucian @ c:irua:147387 | Serial | 4873 | ||
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Author | Aierken, Y.; Leenaerts, O.; Peeters, F.M. | ||||
Title | First-principles study of the stability and edge stress of nitrogen-decorated graphene nanoribbons | Type | A1 Journal article | ||
Year | 2018 | Publication ![]() |
Physical review B | Abbreviated Journal | Phys Rev B |
Volume | 97 | Issue | 23 | Pages | 235436 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | Edge functionalization of graphene nanoribbons with nitrogen atoms for various adatom configurations at armchair and zigzag edges are investigated. We provide comprehensive information on the electronic and magnetic properties and investigate the stability of the various systems. Two types of rippling of the nanoribbons, namely edge and bulk rippling depending on the sign of edge stress induced at the edge, are found. They are found to play the decisive role for the stability of the structures. We also propose a type of edge decoration in which every third nitrogen adatom at the zigzag edges is replaced by an oxygen atom. In this way, the electron count is compatible with a full aromatic structure, leading to additional stability and a disappearance of magnetism that is usually associated with zigzag nanoribbons. | ||||
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Publisher | American Physical Society | Place of Publication | New York, N.Y | Editor | |
Language | Wos | 000436192300006 | Publication Date | 2018-06-25 | |
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 | 1 | Open Access | |
Notes | ; This work was supported by the Fonds Wetenschappelijk Onderzoek (FWO-Vl). The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Research Foundation – Flanders (FWO) and the Flemish Government – department EWI. ; | Approved | Most recent IF: 3.836 | ||
Call Number | UA @ lucian @ c:irua:152478UA @ admin @ c:irua:152478 | Serial | 5104 | ||
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Author | Menezes, R.M.; de Souza Silva, C.C.; Milošević, M.V. | ||||
Title | Spin textures in chiral magnetic monolayers with suppressed nearest-neighbor exchange | Type | A1 Journal article | ||
Year | 2020 | Publication ![]() |
Physical Review B | Abbreviated Journal | Phys Rev B |
Volume | 101 | Issue | 21 | Pages | 214429-9 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | High tunability of two-dimensional magnetic materials (by strain, gating, heterostructuring, or otherwise) provides unique conditions for studying versatile magnetic properties and controlling emergent magnetic phases. Expanding the scope of achievable magnetic phenomena in such materials is important for both fundamental and technological advances. Here we perform atomistic spin-dynamics simulations to explore the (chiral) magnetic phases of atomic monolayers in the limit of suppressed first-neighbors exchange interaction. We report the rich phase diagram of exotic magnetic configurations, obtained for both square and honeycomb lattice symmetries, comprising coexistence of ferromagnetic and antiferromagnetic spin cycloids, as well as multiple types of magnetic skyrmions. We perform a minimum-energy path analysis for the skyrmion collapse to evaluate the stability of such topological objects and reveal that magnetic monolayers could be good candidates to host the antiferromagnetic skyrmions that are experimentally evasive to date. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000540910100002 | Publication Date | 2020-06-18 | |
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 | 1 | Open Access | |
Notes | ; This work was supported by the Research Foundation-Flanders (FWO-Vlaanderen) and Brazilian Agencies FACEPE (under Grant No. APQ-0198-1.05/14), CAPES, and CNPq. ; | Approved | Most recent IF: 3.7; 2020 IF: 3.836 | ||
Call Number | UA @ admin @ c:irua:170176 | Serial | 6610 | ||
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Author | Leishman, A.W.D.; Menezes, R.M.; Longbons, G.; Bauer, E.D.; Janoschek, M.; Honecker, D.; DeBeer-Schmitt, L.; White, J.S.; Sokolova, A.; Milošević, M.V.; Eskildsen, M.R. | ||||
Title | Topological energy barrier for skyrmion lattice formation in MnSi | Type | A1 Journal article | ||
Year | 2020 | Publication ![]() |
Physical Review B | Abbreviated Journal | Phys Rev B |
Volume | 102 | Issue | 10 | Pages | 104416-104419 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | We report the direct measurement of the topological skyrmion energy barrier through a hysteresis of the skyrmion lattice in the chiral magnet MnSi. Measurements were made using small-angle neutron scattering with a custom-built resistive coil to allow for high-precision minor hysteresis loops. The experimental data were analyzed using an adapted Preisach model to quantify the energy barrier for skyrmion formation and corroborated by the minimum-energy path analysis based on atomistic spin simulations. We reveal that the skyrmion lattice in MnSi forms from the conical phase progressively in small domains, each of which consisting of hundreds of skyrmions, and with an activation barrier of several eV. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000568994800005 | Publication Date | 2020-09-14 | |
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 | 1 | Open Access | |
Notes | ; This work was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, under Award No. DE-SC0005051 (A.W.D.L., G.L., M.R.E.), the Research Foundation -Flanders (FWO-Vlaanderen) (R.M.M., M.V.M.), and Brazilian Agencies FACEPE, CAPES and CNPq (R.M.M.). M.J. was supported by the LANL Directed Research and Development (LDRD) program via the Directed Research (DR) project “A New Approach to Mesoscale Functionality: Emergent Tunable Superlattices (20150082DR).” E.D.B. was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Science and Engineering, under project “Quantum Fluctuations in Narrow-Band Systems.” A portion of this research used resources at the High Flux Isotope Reactor, a DOE Office of Science User Facility operated by the Oak Ridge National Laboratory. Part of this work is based on experiments performed at the Swiss spallation neutron source SINQ, Paul Scherrer Institute, Villigen, Switzerland. We acknowledge useful conversations with E. Louden, D. Green, and A. Francisco in preparation for these experiments, as well as the assistance of K. Avers, G. Taufer, M. Harrington, M. Bartkowiak, and C. Baldwin in completing them. ; | Approved | Most recent IF: 3.7; 2020 IF: 3.836 | ||
Call Number | UA @ admin @ c:irua:171959 | Serial | 6631 | ||
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Author | Savchenko, T.M.; Buzzi, M.; Howald, L.; Ruta, S.; Vijayakumar, J.; Timm, M.; Bracher, D.; Saha, S.; Derlet, P.M.; Béché, A.; Verbeeck, J.; Chantrell, R.W.; Vaz, C.A.F.; Nolting, F.; Kleibert, A. | ||||
Title | Single femtosecond laser pulse excitation of individual cobalt nanoparticles | Type | A1 Journal article | ||
Year | 2020 | Publication ![]() |
Physical Review B | Abbreviated Journal | Phys Rev B |
Volume | 102 | Issue | 20 | Pages | 205418 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | Laser-induced manipulation of magnetism at the nanoscale is a rapidly growing research topic with potential for applications in spintronics. In this work, we address the role of the scattering cross section, thermal effects, and laser fluence on the magnetic, structural, and chemical stability of individual magnetic nanoparticles excited by single femtosecond laser pulses. We find that the energy transfer from the fs laser pulse to the nanoparticles is limited by the Rayleigh scattering cross section, which in combination with the light absorption of the supporting substrate and protective layers determines the increase in the nanoparticle temperature. We investigate individual Co nanoparticles (8 to 20 nm in size) as a prototypical model system, using x-ray photoemission electron microscopy and scanning electron microscopy upon excitation with single femtosecond laser pulses of varying intensity and polarization. In agreement with calculations, we find no deterministic or stochastic reversal of the magnetization in the nanoparticles up to intensities where ultrafast demagnetization or all-optical switching is typically reported in thin films. Instead, at higher fluences, the laser pulse excitation leads to photo-chemical reactions of the nanoparticles with the protective layer, which results in an irreversible change in the magnetic properties. Based on our findings, we discuss the conditions required for achieving laser-induced switching in isolated nanomagnets. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000589602000005 | Publication Date | 2020-11-16 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2469-9950 | ISBN | Additional Links | UA library record; WoS full record | |
Impact Factor | 3.7 | Times cited | 1 | Open Access | OpenAccess |
Notes | This work received funding by the Swiss National Foundation (SNF) (Grants No. 200021160186 and No. 2002153540), the Swiss Nanoscience Institute (SNI) (Grant No. SNI P1502), the European Union’s Horizon 2020 research and innovation programme under Grant Agreement No. 737093 (FEMTOTERABYTE), and the COST Action CA17123 (MAGNETOFON). Part of this work was performed at the SIM beamline of the Swiss Light Source (SLS), Paul Scherrer Institut, Villigen, Switzerland. Part of the simulations were undertaken on the VIKING cluster, which is a high-performance compute facility provided by the University of York. We kindly acknowledge Anja Weber from PSI for preparation of substrates with marker structures. A.B. and Jo Verbeeck acknowledge funding through FWO Project No. G093417N (“Compressed sensing enabling low dose imaging in transmission electron microscopy”) from the Flanders Research Fund. Jo Verbeeck acknowledges funding from the European Union’s Horizon 2020 research and innovation program under Grant Agreement No. 823717 – ESTEEM3. S.S. acknowledges ETH Zurich Post-Doctoral fellowship and Marie Curie actions for people COFUND program.; esteem3JRA; esteem3reported | Approved | Most recent IF: 3.7; 2020 IF: 3.836 | ||
Call Number | EMAT @ emat @c:irua:174273 | Serial | 6669 | ||
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Author | Shekarforoush, S.; Jalali, H.; Yagmurcukardes, M.; Milošević, M.V.; Neek-Amal, M. | ||||
Title | Optoelectronic properties of confined water in angstrom-scale slits | Type | A1 Journal article | ||
Year | 2020 | Publication ![]() |
Physical Review B | Abbreviated Journal | Phys Rev B |
Volume | 102 | Issue | 23 | Pages | 235406 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | The optoelectronic properties of confined water form one of the most active research areas in the past few years. Here we present the multiscale methodology to discern the out-of-plane electronic and dipolar dielectric constants (epsilon(el)(perpendicular to) and epsilon(diP)(perpendicular to)) of strongly confined water. We reveal that epsilon(perpendicular to el) and epsilon(diP)(perpendicular to) become comparable for water confined in angstrom-scale channels (with a height of less than 15 angstrom) within graphene (GE) and hexagonal boron nitride (hBN) bilayers. Channel height (h) associated with a minimum in both epsilon(e)(l)(perpendicular to) and epsilon(dip)(perpendicular to) is linked to the formation of the ordered structure of ice for h approximate to (7 -7.5) angstrom. The recently measured total dielectric constant epsilon(T)(perpendicular to) of nanoconfined water [L. Fumagalli et al., Science 360, 1339 (2018)] is corroborated by our results. Furthermore, we evaluate the contribution from the encapsulating membranes to the dielectric properties, as a function of the interlayer spacing, i.e., the height of the confining channel for water. Finally, we conduct analysis of the optical properties of both confined water and GE membranes, and show that the electron energy loss function of confined water strongly differs from that of bulk water. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000595856100004 | Publication Date | 2020-12-04 | |
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 | 1 | Open Access | |
Notes | ; This work was supported by the Research Foundation – Flanders (FWO). M.Y. gratefully acknowledges his FWO postdoctoral mandate. ; | Approved | Most recent IF: 3.7; 2020 IF: 3.836 | ||
Call Number | UA @ admin @ c:irua:175051 | Serial | 6695 | ||
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Author | Nulens, L.; Dausy, H.; Wyszynski, M.J.; Raes, B.; Van Bael, M.J.; Milošević, M.V.; Van de Vondel, J. | ||||
Title | Metastable states and hidden phase slips in nanobridge SQUIDs | Type | A1 Journal article | ||
Year | 2022 | Publication ![]() |
Physical review B | Abbreviated Journal | Phys Rev B |
Volume | 106 | Issue | 13 | Pages | 134518-134519 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | We fabricated an asymmetric nanoscale SQUID consisting of one nanobridge weak link and one Dayem bridge weak link. The current phase relation of these particular weak links is characterized by multivaluedness and linearity. While the latter is responsible for a particular magnetic field dependence of the critical current (so-called vorticity diamonds), the former enables the possibility of different vorticity states (phase winding numbers) existing at one magnetic field value. In experiments the observed critical current value is stochastic in nature, does not necessarily coincide with the current associated with the lowest energy state and critically depends on the measurement conditions. In this paper, we unravel the origin of the observed metastability as a result of the phase dynamics happening during the freezing process and while sweeping the current. Moreover, we employ special measurement protocols to prepare the desired vorticity state and identify the (hidden) phase slip dynamics ruling the detected state of these nanodevices. In order to gain insights into the dynamics of the condensate and, more specifically the hidden phase slips, we performed time-dependent Ginzburg-Landau simulations. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000904657300007 | Publication Date | 2022-10-31 | |
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 | 1 | Open Access | OpenAccess |
Notes | Approved | Most recent IF: 3.7 | |||
Call Number | UA @ admin @ c:irua:193393 | Serial | 7321 | ||
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Author | Ahmadkhani, S.; Alihosseini, M.; Ghasemi, S.; Ahmadabadi, I.; Hassani, N.; Peeters, F.M.; Neek-Amal, M. | ||||
Title | Multiband flattening and linear Dirac band structure in graphene with impurities | Type | A1 Journal article | ||
Year | 2023 | Publication ![]() |
Physical review B | Abbreviated Journal | |
Volume | 107 | Issue | 7 | Pages | 075401-75408 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | Flat bands in the energy spectrum have attracted a lot of attention in recent years because of their unique properties and promising applications. Special arrangement of impurities on monolayer graphene are proposed to generate multiflat bands in the electronic band structure. In addition to the single midgap states in the spectrum of graphene with low hydrogen density, we found closely spaced bands around the Fermi level with increasing impurity density, which are similar to discrete lines in the spectrum of quantum dots, as well as the unusual Landau-level energy spectrum of graphene in the presence of a strong magnetic field. The presence of flat bands crucially depends on whether or not there are odd or even electrons of H(F) atoms bound to graphene. Interestingly, we found that a fully hydrogenated (fluoridated) of a hexagon of graphene sheet with six hydrogen (fluorine) atoms sitting on top and bottom in consecutive order exhibits Dirac cones in the electronic band structure with a 20% smaller Fermi velocity as compared to the pristine graphene. Functionalizing graphene introduces various C-C bond lengths resulting in nonuniform strains. Such a nonuniform strain may induce a giant pseudomagnetic field in the system, resulting in quantum Hall effect. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000994364500006 | Publication Date | 2023-02-02 | |
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 | |
Impact Factor | 3.7 | Times cited | 1 | Open Access | OpenAccess |
Notes | Approved | Most recent IF: 3.7; 2023 IF: 3.836 | |||
Call Number | UA @ admin @ c:irua:197431 | Serial | 8822 | ||
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Author | Lima, I.L.C.; Milošević, M.V.; Peeters, F.M.; Chaves, A. | ||||
Title | Tuning of exciton type by environmental screening | Type | A1 Journal article | ||
Year | 2023 | Publication ![]() |
Physical review B | Abbreviated Journal | |
Volume | 108 | Issue | 11 | Pages | 115303-115308 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | We theoretically investigate the binding energy and electron-hole (e-h) overlap of excitonic states confined at the interface between two-dimensional materials with type-II band alignment, i.e., with lowest conduction and highest valence band edges placed in different materials, arranged in a side-by-side planar heterostructure. We propose a variational procedure within the effective mass approximation to calculate the exciton ground state and apply our model to a monolayer MoS2/WS2 heterostructure. The role of nonabrupt interfaces between the materials is accounted for in our model by assuming a WxMo1-xS2 alloy around the interfacial region. Our results demonstrate that (i) interface-bound excitons are energetically favorable only for small interface thickness and/or for systems under high dielectric screening by the materials surrounding the monolayer, and that (ii) the interface exciton binding energy and its e-h overlap are controllable by the interface width and dielectric environment. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 001077758300002 | Publication Date | 2023-09-08 | |
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 | |
Impact Factor | 3.7 | Times cited | 1 | Open Access | |
Notes | Approved | Most recent IF: 3.7; 2023 IF: 3.836 | |||
Call Number | UA @ admin @ c:irua:200356 | Serial | 9110 | ||
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Author | Shafiei, M.; Fazileh, F.; Peeters, F.M.; Milošević, M.V. | ||||
Title | Tailoring weak and metallic phases in a strong topological insulator by strain and disorder : conductance fluctuations signatures | Type | A1 Journal article | ||
Year | 2024 | Publication ![]() |
Physical review B | Abbreviated Journal | |
Volume | 109 | Issue | 4 | Pages | 045129-7 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | Transport measurements are readily used to probe different phases in disordered topological insulators (TIs), where determining topological invariants explicitly is challenging. On that note, universal conductance fluctuations (UCF) theory asserts the conductance G for an ensemble has a Gaussian distribution, and that standard deviation 8G depends solely on the symmetries and dimensions of the system. Using a real-space tight -binding Hamiltonian on a system with Anderson disorder, we explore conductance fluctuations in a thin Bi2Se3 film and demonstrate the agreement of their behavior with UCF hypotheses. We further show that magnetic field applied out-of-plane breaks the time -reversal symmetry and transforms the system's Wigner-Dyson class from root symplectic to unitary, increasing 8G by 2. Finally, we reveal that while Bi2Se3 is a strong TI, weak TI and metallic phases can be stabilized in presence of strain and disorder, and detected by monitoring the conductance fluctuations. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 001173938400008 | Publication Date | 2024-01-16 | |
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 | 3.7 | Times cited | 1 | Open Access | |
Notes | Approved | Most recent IF: 3.7; 2024 IF: 3.836 | |||
Call Number | UA @ admin @ c:irua:204765 | Serial | 9177 | ||
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Author | Apolinario, S.W.S.; Aguiar, J.A.; Peeters, F.M. | ||||
Title | Angular melting scenarios in binary dusty-plasma Coulomb balls : magic versus normal clusters | Type | A1 Journal article | ||
Year | 2014 | Publication ![]() |
Physical review : E : statistical, nonlinear, and soft matter physics | Abbreviated Journal | Phys Rev E |
Volume | 90 | Issue | 6 | Pages | 063113 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | Molecular-dynamic simulations were performed in order to investigate the melting processes of isotropically confined binary systems. We considered two species of particles, which differ by their amount of electric charge. A Lindemann type of criterion was used to determine the angular melting temperature. We demonstrate that the magic-to-normal cluster transition can evolve in two distinct ways, that is, through a structural phase transition of the first order or via a smooth transition where an increase of the shells' width leads to a continuous decreasing mechanical stability of the system. Moreover, for large systems, we demonstrate that the internal cluster exerts a minor effect on the mechanical stability of the external shell. Furthermore, we show that highly symmetric configurations, such as those found for multiple ring structures, have large mechanical stability, i.e., high angular melting temperature. | ||||
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Publisher | American Institute of Physics | Place of Publication | Woodbury (NY) | Editor | |
Language | Wos | 000347207000027 | Publication Date | 2014-12-29 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1539-3755;1550-2376; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.366 | Times cited | 1 | Open Access | |
Notes | ; This work was supported by FACEPE (Fundacao de Amparo a Ciencia e Tecnologia do Estado de Pernambuco) Grant No. APQ-1800-1.05/ 12, the bilatera project between CNPq and FWO-VL, and the Flemish Science Foundation (FWO-Vl). ; | Approved | Most recent IF: 2.366; 2014 IF: 2.288 | ||
Call Number | UA @ lucian @ c:irua:122828 | Serial | 116 | ||
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Author | Peelaers, H.; Partoens, B.; Tatyanenko, D.V.; Peeters, F.M. | ||||
Title | Dynamics of scattering on a classical two-dimensional artificial atom | Type | A1 Journal article | ||
Year | 2007 | Publication ![]() |
Physical review : E : statistical physics, plasmas, fluids, and related interdisciplinary topics | Abbreviated Journal | Phys Rev E |
Volume | 75 | Issue | 3 | Pages | 036606,1-8 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | A classical two-dimensional (2D) model for an artificial atom is used to make a numerical exact study of elastic and nonelastic scattering. Interesting differences in the scattering angle distribution between this model and the well-known Rutherford scattering are found in the small energy and/or small impact parameter scattering regime. For scattering off a classical 2D hydrogen atom different phenomena such as ionization, exchange of particles, and inelastic scattering can occur. A scattering regime diagram is constructed as function of the impact parameter (b) and the initial velocity (v) of the incoming particle. In a small regime of the (b,v) space the system exhibits chaos, which is studied in more detail. Analytic expressions for the scattering angle are given in the high impact parameter asymptotic limit. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Lancaster, Pa | Editor | ||
Language | Wos | 000245324700062 | Publication Date | 2007-03-14 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1539-3755;1550-2376; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.366 | Times cited | 1 | Open Access | |
Notes | Approved | Most recent IF: 2.366; 2007 IF: 2.483 | |||
Call Number | UA @ lucian @ c:irua:64290 | Serial | 782 | ||
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Author | De Meulenaere, P.; Rodewald, M.; Van Tendeloo, G. | ||||
Title | Anisotropic cluster model for the short-range order in Cu1-xPdx-type alloys | Type | A1 Journal article | ||
Year | 1998 | Publication ![]() |
Physical review : B : condensed matter and materials physics | Abbreviated Journal | Phys Rev B |
Volume | 57 | Issue | 18 | Pages | 11132-11140 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | The split diffuse maxima around the {110} and {100} positions in the diffraction pattern of short-range-ordered Cu1-xPdx alloys (x=0.10...0.60) are attributed to small atomic clusters, being part of the underlying fee lattice. By analyzing the reciprocal space geometry, our cluster method identifies two prominent cluster types: the tetrahedron of nearest neighbors and a linear three-points cluster along the [110] directions. Since both cluster types contain different information on the same nearest-neighbor correlations, local anisotropy has to be assumed. It is shown that the three interatomic pair interactions within these basic clusters are sufficient to generate the spot splitting in the diffraction pattern. A ground-state analysis with these interactions reproduces the results of the anisotropic next-nearest-neighbor Ising model. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Lancaster, Pa | Editor | ||
Language | Wos | 000073585200026 | Publication Date | 2002-07-27 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0163-1829;1095-3795; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.836 | Times cited | 1 | Open Access | |
Notes | Approved | Most recent IF: 3.836; 1998 IF: NA | |||
Call Number | UA @ lucian @ c:irua:25678 | Serial | 125 | ||
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Author | Li, B.; Djotyan, A.P.; Hao, Y.L.; Avetisyan, A.A.; Peeters, F.M. | ||||
Title | Effect of a perpendicular magnetic field on the shallow donor states near a semiconductor-metal interface | Type | A1 Journal article | ||
Year | 2013 | Publication ![]() |
Physical review : B : condensed matter and materials physics | Abbreviated Journal | Phys Rev B |
Volume | 87 | Issue | 7 | Pages | 075313-75319 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | We investigate the influence of an external perpendicular magnetic field on the lowest-energy states of an electron bound to a donor which is located near a semiconductor-metal interface. The problem is treated within the effective mass approach and the lowest-energy states are obtained through (1) the “numerically exact” finite element method, and (2) a variational approach using a trial wave function where all image charges that emerge due to the presence of the metallic gate are taken into account. The trial wave functions are constructed such that they reduce to an exponential behavior for sufficiently small magnetic fields and become Gaussian for intermediate and large magnetic fields. The average electron-donor distance can be controlled by the external magnetic field. We find that the size of the 2p(z) state depends strongly on the magnetic field when the donor is close to the interface, showing a nonmonotonic behavior, in contrast with the ground and the other excited states. DOI: 10.1103/PhysRevB.87.075313 | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000314874800017 | Publication Date | 2013-02-13 | |
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 | 1 | Open Access | |
Notes | ; This work was supported by the Flemish Science Foundation (FWO-Vl). ; | Approved | Most recent IF: 3.836; 2013 IF: 3.664 | ||
Call Number | UA @ lucian @ c:irua:107664 | Serial | 793 | ||
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Author | Dixit, H.; Tandon, N.; Cottenier, S.; Saniz, R.; Lamoen, D.; Partoens, B. | ||||
Title | Erratum : First-principles study of possible shallow donors in ZnAl2O4 spinel [Phys. Rev. B 87, 174101 (2013)] | Type | A1 Journal article | ||
Year | 2013 | Publication ![]() |
Physical review : B : condensed matter and materials physics | Abbreviated Journal | Phys Rev B |
Volume | 88 | Issue | 5 | Pages | 059905-2 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) | ||||
Abstract | |||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000323572600009 | Publication Date | 2013-08-27 | |
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 | 1 | Open Access | |
Notes | ; ; | Approved | Most recent IF: 3.836; 2013 IF: 3.664 | ||
Call Number | UA @ lucian @ c:irua:110015 | Serial | 1080 | ||
Permanent link to this record | |||||
Author | Saniz, R.; Partoens, B.; Peeters, F.M. | ||||
Title | Green function approach to superconductivity in nanowires | Type | A1 Journal article | ||
Year | 2012 | Publication ![]() |
Physical review : B : condensed matter and materials physics | Abbreviated Journal | Phys Rev B |
Volume | 85 | Issue | 14 | Pages | 144504-144504,7 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | Superconductivity in nanowires made of weak coupling superconductor materials is investigated using a Green function approach. We show that these are multigap systems in which the ratio Delta(T)/k(B)T(c) is to a large extent similar to what is observed in some high-T-c two-gap systems, such as MgB2 and some of the Fe-based superconductors. On the other hand, because of confinement, the superfluid density has a temperature behavior of the form n(s)(T) = 1 – (T/T-c)(3) near T-c, thus deviating from the BCS behavior for bulk superconductors. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000302290700006 | Publication Date | 2012-04-03 | |
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 | 1 | Open Access | |
Notes | ; This work was supported by FWO-Vl and the Belgian Science Policy (IAP). ; | Approved | Most recent IF: 3.836; 2012 IF: 3.767 | ||
Call Number | UA @ lucian @ c:irua:97764 | Serial | 1381 | ||
Permanent link to this record | |||||
Author | Verberck, B.; Nikolaev, A.V.; Michel, K.H. | ||||
Title | Orientational charge density waves and the metal-insulator transition in polymerized KC60 | Type | A1 Journal article | ||
Year | 2005 | Publication ![]() |
Physical review : B : condensed matter and materials physics | Abbreviated Journal | Phys Rev B |
Volume | 71 | Issue | 16 | Pages | 165117-11 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | A theoretical model is presented for the description of the metal-insulator transition which accompanies the structural phase transition at T approximate to 50 K in polymerized KC60. The model involves orientational charge density waves (along the C-60 polymer chains) which were introduced previously for a description of the structural phase transition. A satisfactory qualitative and quantitative understanding is obtained when the three-dimensionality of the crystal and the presence of the K+ counterions is properly taken into account. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000228763100035 | Publication Date | 2005-04-27 | |
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 | 1 | Open Access | |
Notes | Approved | Most recent IF: 3.836; 2005 IF: 3.185 | |||
Call Number | UA @ lucian @ c:irua:104076 | Serial | 2514 | ||
Permanent link to this record | |||||
Author | Peeters, F.M.; Matulis, A. | ||||
Title | Reply to “Comment on 'Oscillator strength and sum rule for intersubband transitions in a superlattice'” | Type | A1 Journal article | ||
Year | 1995 | Publication ![]() |
Physical review : B : condensed matter and materials physics | Abbreviated Journal | Phys Rev B |
Volume | 51 | Issue | Pages | 7932-7933 | |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | |||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Lancaster, Pa | Editor | ||
Language | Wos | A1995QQ59800074 | Publication Date | 0000-00-00 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1098-0121; 0163-1829 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.736 | Times cited | 1 | Open Access | |
Notes | Approved | PHYSICS, MULTIDISCIPLINARY 6/79 Q1 # | |||
Call Number | UA @ lucian @ c:irua:12197 | Serial | 2875 | ||
Permanent link to this record | |||||
Author | Berdiyorov, G.R.; Milošević, M.V.; Peeters, F.M. | ||||
Title | Reply to “Comment on 'Vortices induced in a superconducting loop by asymmetric kinetic inductance and their detection in transport measurements' ” | Type | Editorial | ||
Year | 2014 | Publication ![]() |
Physical review : B : condensed matter and materials physics | Abbreviated Journal | Phys Rev B |
Volume | 90 | Issue | 5 | Pages | 056502 |
Keywords | Editorial; Condensed Matter Theory (CMT) | ||||
Abstract | Our calculations, within known limitations of Ginzburg-Landau theory, are fully correct and valid for transport phenomena in asymmetric mesoscopic superconductors, deep in the superconducting state. We deemed the experiments of Burlakov et al. [JETP Lett. 86, 517 (2007)] relevant and important to mention in the general context of our paper since the observed shifts in the oscillations of different quantities are qualitatively similar, even though those measurements are performed close to the superconducting-normal state transition in the so-called Little-Parks regime. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000341266400006 | Publication Date | 2014-08-28 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1098-0121;1550-235X; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.836 | Times cited | 1 | Open Access | |
Notes | ; ; | Approved | Most recent IF: 3.836; 2014 IF: 3.736 | ||
Call Number | UA @ lucian @ c:irua:119256 | Serial | 2876 | ||
Permanent link to this record | |||||
Author | Tsirlin, A.A.; Shpanchenko, R.V.; Antipov, E.V.; Bougerol, C.; Hadermann, J.; Van Tendeloo, G.; Schnelle, W.; Rosner, H. | ||||
Title | Spin ladder compound Pb0.55Cd0.45V2O5: synthesis and investigation | Type | A1 Journal article | ||
Year | 2007 | Publication ![]() |
Physical review : B : condensed matter and materials physics | Abbreviated Journal | Phys Rev B |
Volume | 76 | Issue | 10 | Pages | 104429,1-7 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | |||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Lancaster, Pa | Editor | ||
Language | Wos | 000249786300074 | Publication Date | 2007-09-25 | |
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 | 1 | Open Access | |
Notes | Approved | Most recent IF: 3.836; 2007 IF: 3.172 | |||
Call Number | UA @ lucian @ c:irua:65594 | Serial | 3091 | ||
Permanent link to this record | |||||
Author | Dabral, A.; Lu, A.K.A.; Chiappe, D.; Houssa, M.; Pourtois, G. | ||||
Title | A systematic study of various 2D materials in the light of defect formation and oxidation | Type | A1 Journal article | ||
Year | 2019 | Publication ![]() |
Physical chemistry, chemical physics | Abbreviated Journal | Phys Chem Chem Phys |
Volume | 21 | Issue | 3 | Pages | 1089-1099 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | The thermodynamic aspects of various 2D materials are explored using Density Functional Theory (DFT). Various metal chalcogenides (MX2, M = metal, chalcogen X = S, Se, Te) are investigated with respect to their interaction and stability under different ambient conditions met in the integration process of a transistor device. Their interaction with high- dielectrics is also addressed, in order to assess their possible integration in Complementary Metal Oxide Semiconductor (CMOS) field effect transistors. 2D materials show promise for high performance nanoelectronic devices, but the presence of defects (vacancies, grain boundaries,...) can significantly impact their electronic properties. To assess the impact of defects, their enthalpies of formation and their signature levels in the density of states have been studied. We find, consistently with literature reports, that chalcogen vacancies are the most likely source of defects. It is shown that while pristine 2D materials are in general stable whenever set in contact with different ambient atmospheres, the presence of defective sites affects the electronic properties of the 2D materials to varying degrees. We observe that all the 2D materials studied in the present work show strong reactivity towards radical oxygen plasma treatments while reactivity towards other common gas phase chemical such as O-2 and H2O and groups present at the high- surface varies significantly between species. While energy band-gaps, effective masses and contact resistivities are key criteria in selection of 2D materials for scaled CMOS and tunneling based devices, the phase and ambient stabilities might also play a very important role in the development of reliable nanoelectronic applications. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000456147000009 | Publication Date | 2018-12-19 | |
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 | 1 | Open Access | Not_Open_Access |
Notes | Approved | Most recent IF: 4.123 | |||
Call Number | UA @ admin @ c:irua:156715 | Serial | 5267 | ||
Permanent link to this record | |||||
Author | Van der Paal, J.; Hong, S.-H.; Yusupov, M.; Gaur, N.; Oh, J.-S.; Short, R.D.; Szili, E.J.; Bogaerts, A. | ||||
Title | How membrane lipids influence plasma delivery of reactive oxygen species into cells and subsequent DNA damage : an experimental and computational study | Type | A1 Journal article | ||
Year | 2019 | Publication ![]() |
Physical chemistry, chemical physics | Abbreviated Journal | Phys Chem Chem Phys |
Volume | 21 | Issue | 35 | Pages | 19327-19341 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | The mechanisms of plasma in medicine are broadly attributed to plasma-derived reactive oxygen and nitrogen species (RONS). In order to exert any intracellular effects, these plasma-derived RONS must first traverse a major barrier in the cell membrane. The cell membrane lipid composition, and thereby the magnitude of this barrier, is highly variable between cells depending on type and state (e.g. it is widely accepted that healthy and cancerous cells have different membrane lipid compositions). In this study, we investigate how plasma-derived RONS interactions with lipid membrane components can potentially be exploited in the future for treatment of diseases. We couple phospholipid vesicle experiments, used as simple cell models, with molecular dynamics (MD) simulations of the lipid membrane to provide new insights into how the interplay between phospholipids and cholesterol may influence the response of healthy and diseased cell membranes to plasma-derived RONS. We focus on the (i) lipid tail saturation degree, (ii) lipid head group type, and (iii) membrane cholesterol fraction. Using encapsulated molecular probes, we study the influence of the above membrane components on the ingress of RONS into the vesicles, and subsequent DNA damage. Our results indicate that all of the above membrane components can enhance or suppress RONS uptake, depending on their relative concentration within the membrane. Further, we show that higher RONS uptake into the vesicles does not always correlate with increased DNA damage, which is attributed to ROS reactivity and lifetime. The MD simulations indicate the multifactorial chemical and physical processes at play, including (i) lipid oxidation, (ii) lipid packing, and (iii) lipid rafts formation. The methods and findings presented here provide a platform of knowledge that could be leveraged in the development of therapies relying on the action of plasma, in which the cell membrane and oxidative stress response in cells is targeted. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000486175400045 | Publication Date | 2019-08-21 | |
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 | 1 | Open Access | |
Notes | Approved | Most recent IF: 4.123 | |||
Call Number | UA @ admin @ c:irua:162782 | Serial | 6303 | ||
Permanent link to this record | |||||
Author | Yorulmaz, U.; Šabani, D.; Yagmurcukardes, M.; Sevik, C.; Milošević, M.V. | ||||
Title | High-throughput analysis of tetragonal transition metal Xenes | Type | A1 Journal article | ||
Year | 2022 | Publication ![]() |
Physical chemistry, chemical physics | Abbreviated Journal | Phys Chem Chem Phys |
Volume | 24 | Issue | 48 | Pages | 29406-29412 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | We report a high-throughput first-principles characterization of the structural, mechanical, electronic, and vibrational properties of tetragonal single-layer transition metal Xenes (t-TMXs). Our calculations revealed 22 dynamically, mechanically and chemically stable structures among the 96 possible free-standing layers present in the t-TMX family. As a fingerprint for their structural identification, we identified four characteristic Raman active phonon modes, namely three in-plane and one out-of-plane optical branches, with various intensities and frequencies depending on the material in question. Spin-polarized electronic calculations demonstrated that anti-ferromagnetic (AFM) metals, ferromagnetic (FM) metals, AFM semiconductors, and non-magnetic semiconductor materials exist within this family, evidencing the potential of t-TMXs for further use in multifunctional heterostructures. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000892446100001 | Publication Date | 2022-11-30 | |
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 | 3.3 | Times cited | 1 | Open Access | Not_Open_Access |
Notes | Approved | Most recent IF: 3.3 | |||
Call Number | UA @ admin @ c:irua:192762 | Serial | 7310 | ||
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Author | Baskurt, M.; Nair, R.R.; Peeters, F.M.; Sahin, H. | ||||
Title | Ultra-thin structures of manganese fluorides : conversion from manganese dichalcogenides by fluorination | Type | A1 Journal article | ||
Year | 2021 | Publication ![]() |
Physical Chemistry Chemical Physics | Abbreviated Journal | Phys Chem Chem Phys |
Volume | 23 | Issue | 17 | Pages | 10218-10224 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | In this study, it is predicted by density functional theory calculations that graphene-like novel ultra-thin phases of manganese fluoride crystals, that have nonlayered structures in their bulk form, can be stabilized by fluorination of manganese dichalcogenide crystals. First, it is shown that substitution of fluorine atoms with chalcogens in the manganese dichalcogenide host lattice is favorable. Among possible crystal formations, three stable ultra-thin structures of manganese fluoride, 1H-MnF2, 1T-MnF2 and MnF3, are found to be stable by total energy optimization calculations. In addition, phonon calculations and Raman activity analysis reveal that predicted novel single-layers are dynamically stable crystal structures displaying distinctive characteristic peaks in their vibrational spectrum enabling experimental determination of the corresponding phases. Differing from 1H-MnF2 antiferromagnetic (AFM) large gap semiconductor, 1T-MnF2 and MnF3 single-layers are semiconductors with ferromagnetic (FM) ground state. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000641719700001 | Publication Date | 2021-04-15 | |
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 | 1 | Open Access | Not_Open_Access |
Notes | Approved | Most recent IF: 4.123 | |||
Call Number | UA @ admin @ c:irua:178252 | Serial | 7043 | ||
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Author | Razzokov, J.; Naderi, S.; van der Schoot, P. | ||||
Title | Nanoscale insight into silk-like protein self-assembly: effect of design and number of repeat units | Type | A1 Journal article | ||
Year | 2018 | Publication ![]() |
Physical biology | Abbreviated Journal | Phys. Biol. |
Volume | 15 | Issue | 6 | Pages | 066010 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | By means of replica exchange molecular dynamics simulations we investigate how the length of a silk-like, alternating diblock oligopeptide influences its secondary and quaternary structure. We carry out simulations for two protein sizes consisting of three and five blocks, and study the stability of a single protein, a dimer, a trimer and a tetramer. Initial configurations of our simulations are β-roll and β-sheet structures. We find that for the triblock the secondary and quaternary structures upto and including the tetramer are unstable: the proteins melt into random coil structures and the aggregates disassemble either completely or partially. We attribute this to the competition between conformational entropy of the proteins and the formation of hydrogen bonds and hydrophobic interactions between proteins. This is confirmed by our simulations on the pentablock proteins, where we find that, as the number of monomers in the aggregate increases, individual monomers form more hydrogen bonds whereas their solvent accessible surface area decreases. For the pentablock β-sheet protein, the monomer and the dimer melt as well, although for the β-roll protein only the monomer melts. For both trimers and tetramers remain stable. Apparently, for these the entropy loss of forming β-rolls and β-sheets is compensated for in the free-energy gain due to the hydrogen-bonding and hydrophobic interactions. We also find that the middle monomers in the trimers and tetramers are conformationally much more stable than the ones on the top and the bottom. Interestingly, the latter are more stable on the tetramer than on the trimer, suggesting that as the number of monomers increases protein-protein interactions cooperatively stabilize the assembly. According to our simulations, the β-roll and β-sheet aggregates must be approximately equally stable. |
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000444467000001 | Publication Date | 2018-09-12 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1478-3975 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | Times cited | 1 | Open Access | OpenAccess | |
Notes | The work of J Razzokov is supported by Jepa-Limmat Foundation. We thank Sarah Harris (University of Leeds) and Alexey Lyulin (Eindhoven University of Technology), for useful discussions and advice on the simulations. Eindhoven University of Technology is thanked by J Razzokov for their hospitality. We are grateful for computer time provided by the Dutch National Computing Facilities at the LISA facility at SURFsara. The work of S Naderi forms part of the research program of the Dutch Polymer Institute (DPI, Project No. 698). This work was supported by NWO Exacte Wetenschappen (Physical Sciences) for the use of supercomputer facilities, with financial support (Netherlands Organization for Scientific Research, NWO). | Approved | Most recent IF: NA | ||
Call Number | PLASMANT @ plasmant @c:irua:153803c:irua:153596 | Serial | 5050 | ||
Permanent link to this record | |||||
Author | Croitoru, M.D.; Zachmann, M.; Vagov, A.; Axt, V.M.; Shanenko, A.A.; Kettmann, P.; Papenkort, T.; Kuhn, T. | ||||
Title | Coherent dynamics of confinement-induced multiband superconductors | Type | A1 Journal article | ||
Year | 2014 | Publication ![]() |
Physica: C : superconductivity | Abbreviated Journal | Physica C |
Volume | 503 | Issue | Pages | 183-186 | |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | We study the coherent dynamics of pairing in a nanoscale superconductor, that is intrinsically multiband, after an external perturbation in the non-adiabatic regime. The description of the dynamics of the pairing order is within the density-matrix approach based on the BCS model and the Bogoliubov-de Gennes equations. We find that for certain resonant wire widths the superconducting order parameter exhibits two oscillatory frequencies which are determined by the long-time asymptotic values of the subgaps. This in turn leads to a pronounced beating phenomenon. (C) 2014 Elsevier B.V. All rights reserved. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Amsterdam | Editor | ||
Language | Wos | 000340070600040 | Publication Date | 2014-04-26 | |
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 | 1 | Open Access | |
Notes | ; M.D.C. acknowledges the support from the Back to Belgium Grant of the federal Science Policy (BELSPO). ; | Approved | Most recent IF: 1.404; 2014 IF: 0.942 | ||
Call Number | UA @ lucian @ c:irua:118745 | Serial | 378 | ||
Permanent link to this record | |||||
Author | Furugen, R.; Kanda, A.; Vodolazov, D.Y.; Baelus, B.J.; Ootuka, Y.; Peeters, F. | ||||
Title | Fluxoid state transitions in mesoscopic superconducting rings: effect of geometrical symmetry | Type | A1 Journal article | ||
Year | 2007 | Publication ![]() |
Physica: C : superconductivity | Abbreviated Journal | Physica C |
Volume | 463 | Issue | Pages | 251-253 | |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | |||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Amsterdam | Editor | ||
Language | Wos | 000250396000063 | Publication Date | 2007-05-17 | |
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 | 1 | Open Access | |
Notes | Approved | Most recent IF: 1.404; 2007 IF: 1.079 | |||
Call Number | UA @ lucian @ c:irua:66682 | Serial | 1244 | ||
Permanent link to this record | |||||
Author | Baelus, B.J.; Yampolskii, S.V.; Peeters, F.M. | ||||
Title | Magnetic coupling between mesoscopic superconducting rings | Type | A1 Journal article | ||
Year | 2002 | Publication ![]() |
Physica: C : superconductivity | Abbreviated Journal | Physica C |
Volume | 369 | Issue | 1/4 | Pages | 366-369 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | Using the nonlinear Ginzburg-Landau theory we investigated the dependence of the magnetic coupling between two concentric mesoscopic superconducting rings on their thickness. The size of this magnetic coupling increases with the thickness of the rings. (C) 2001 Elsevier Science B.V. All rights reserved. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Amsterdam | Editor | ||
Language | Wos | 000174200000067 | Publication Date | 2002-07-25 | |
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 | 1 | Open Access | |
Notes | Approved | Most recent IF: 1.404; 2002 IF: 0.912 | |||
Call Number | UA @ lucian @ c:irua:94931 | Serial | 1865 | ||
Permanent link to this record | |||||
Author | Rydh, A.; Xie, R.; Zach, M.; Welp, U.; Kwok, W.K.; Crabtree, G.W.; Bending, S.; Milošević, M.V.; Peeters, F.M. | ||||
Title | Magnetization of a few-fluxoid lead crystal | Type | A1 Journal article | ||
Year | 2007 | Publication ![]() |
Physica: C : superconductivity | Abbreviated Journal | Physica C |
Volume | 460 | Issue | 2 | Pages | 793-794 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Amsterdam | Editor | ||
Language | Wos | 000249870600036 | Publication Date | 2007-04-12 | |
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ISSN | 0921-4534; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 1.404 | Times cited | 1 | Open Access | |
Notes | Approved | Most recent IF: 1.404; 2007 IF: 1.079 | |||
Call Number | UA @ lucian @ c:irua:65695 | Serial | 1894 | ||
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Author | Tempère, J.; Vermeyen, E.; Van Duppen, B. | ||||
Title | Skyrmion rows, vortex rows, and phase slip lines in sheared multi-component condensates | Type | A1 Journal article | ||
Year | 2012 | Publication ![]() |
Physica: C : superconductivity | Abbreviated Journal | Physica C |
Volume | 479 | Issue | Pages | 61-64 | |
Keywords | A1 Journal article; Theory of quantum systems and complex systems; Condensed Matter Theory (CMT) | ||||
Abstract | When a condensate is sheared by imparting a velocity to a part of the condensate, phase singularities must appear at the interface between the region that is still at rest and the region that has acquired a velocity. For helium, Feynman argued that these phase singularies will arrange themselves in the form of a vortex row. BoseEinstein condensates of ultracold atomic gases differ from helium in that the healing length is generally much larger and is, in fact, tunable. Another difference is that multicomponent condensates can be created, where the two components forming the mixture are usually two different hyperfine states of the condensed atoms. These two components can be manipulated separately and can be interconverted. In this contribution, we investigate how these additional degrees of freedom, available in quantum gases, change what happens in sheared condensates. In particular, we consider skyrmion rows as an alternative to vortex rows, and we also consider phase slip lines filled with the second, unmoving component, in a condensate mixture. We show that depending on the ratios of the interaction strengths between the components, and depending on the shear velocity, skyrmion rows and phase slip lines can become lower in energy than vortex rows, and hence should be observable in quantum gases. Moreover, we find that the velocity field affects the stability region of the condensate with respect to phase separation. | ||||
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Publisher | Place of Publication | Amsterdam | Editor | ||
Language | Wos | 000308580600013 | Publication Date | 2012-02-14 | |
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 | 1 | Open Access | |
Notes | ; This work was supported by the Research Foundation – Flanders (FWO) through Projects G.0356.06, G.0370.09 N, G.0180.09 N, and G.0365.08. E. V. acknowledges financial support in the form of a Ph.D. fellowship of the Research Foundation – Flanders (FWO). ; | Approved | Most recent IF: 1.404; 2012 IF: 0.718 | ||
Call Number | UA @ lucian @ c:irua:100617 | Serial | 3040 | ||
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