Records |
Author |
Spreitzer, M.; Klement, D.; Egoavil, R.; Verbeeck, J.; Kovac, J.; Zaloznik, A.; Koster, G.; Van Tendeloo, G.; Suvorov, D.; Rijnders, G. |
Title |
Growth mechanism of epitaxial SrTiO3 on a (1 x 2) + (2 x 1) reconstructed Sr(1/2 ML)/Si(001) surface |
Type |
A1 Journal article |
Year |
2020 |
Publication |
Journal Of Materials Chemistry C |
Abbreviated Journal |
J Mater Chem C |
Volume |
8 |
Issue ![sorted by Issue field, descending order (down)](img/sort_desc.gif) |
2 |
Pages |
518-527 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Sub-monolayer control over the growth at silicon-oxide interfaces is a prerequisite for epitaxial integration of complex oxides with the Si platform, enriching it with a variety of functionalities. However, the control over this integration is hindered by the intense reaction of the constituents. The most suitable buffer material for Si passivation is metallic strontium. When it is overgrown with a layer of SrTiO3 (STO) it can serve as a pseudo-substrate for the integration with functional oxides. In our study we determined a mechanism for epitaxial integration of STO with a (1 x 2) + (2 x 1) reconstructed Sr(1/2 ML)/Si(001) surface using all-pulsed laser deposition (PLD) technology. A detailed analysis of the initial deposition parameters was performed, which enabled us to develop a complete protocol for integration, taking into account the peculiarities of the PLD growth, STO critical thickness, and process thermal budget, in order to kinetically trap the reaction between STO and Si and thus to minimize the thickness of the interface layer. The as-prepared oxide layer exhibits STO(001)8Si(001) out-of-plane and STO[110]8Si[100] in-plane orientation and together with recent advances in large-scale PLD tools these results represent a new technological solution for the implementation of oxide electronics on demand. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000506852400036 |
Publication Date |
2019-10-28 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
2050-7526; 2050-7534 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
6.4 |
Times cited |
12 |
Open Access |
OpenAccess |
Notes |
; The research was financially supported by the Slovenian Research Agency (Project No. P2-0091, J2-9237) and Ministry of Education, Science and Sport of the Republic of Slovenia (SIOX projects). This work was also funded by the European Union Council under the 7th Framework Program grant no. NMP3-LA-2010-246102 IFOX. J. V. and G. V. T. acknowledge funding from the Fund for Scientific Research Flanders under project no. G.0044.13N. ; |
Approved |
Most recent IF: 6.4; 2020 IF: 5.256 |
Call Number |
UA @ admin @ c:irua:165672 |
Serial |
6298 |
Permanent link to this record |
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Author |
Chen, B.; Gauquelin, N.; Reith, P.; Halisdemir, U.; Jannis, D.; Spreitzer, M.; Huijben, M.; Abel, S.; Fompeyrine, J.; Verbeeck, J.; Hilgenkamp, H.; Rijnders, G.; Koster, G. |
Title |
Thermal-strain-engineered ferromagnetism of LaMnO3/SrTiO3 heterostructures grown on silicon |
Type |
A1 Journal article |
Year |
2020 |
Publication |
Physical review materials |
Abbreviated Journal |
Phys. Rev. Materials |
Volume |
4 |
Issue ![sorted by Issue field, descending order (down)](img/sort_desc.gif) |
2 |
Pages |
024406 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
The integration of oxides on Si remains challenging, which largely hampers the practical applications of oxide-based electronic devices with superior performance. Recently, LaMnO3/SrTiO3 (LMO/STO) heterostructures have gained renewed interest for the debating origin of the ferromagnetic-insulating ground state as well as for their spin-filter applications. Here we report on the structural and magnetic properties of high-quality LMO/STO heterostructures grown on silicon. The chemical abruptness across the interface was investigated by atomic-resolution scanning transmission electron microscopy. The difference in the thermal expansion coefficients between LMO and Si imposed a large biaxial tensile strain to the LMO film, resulting in a tetragonal structure with c/a∼ 0.983. Consequently, we observed a significantly suppressed ferromagnetism along with an enhanced coercive field, as compared to the less distorted LMO film (c/a∼1.004) grown on STO single crystal. The results are discussed in terms of tensile-strain enhanced antiferromagnetic instabilities. Moreover, the ferromagnetism of LMO on Si sharply disappeared below a thickness of 5 unit cells, in agreement with the LMO/STO case, pointing to a robust critical behavior irrespective of the strain state. Our results demonstrate that the growth of oxide films on Si can be a promising way to study the tensile-strain effects in correlated oxides, and also pave the way towards the integration of multifunctional oxides on Si with atomic-layer control. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000513552900003 |
Publication Date |
2020-02-12 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
2475-9953 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.4 |
Times cited |
6 |
Open Access |
Not_Open_Access |
Notes |
Nederlandse Organisatie voor Wetenschappelijk Onderzoek; Universiteit Antwerpen; Vlaamse regering; Fonds Wetenschappelijk Onderzoek, G093417N ; Javna Agencija za Raziskovalno Dejavnost RS, J2-9237 P2-0091 ; European Commission, H2020-ICT-2016-1-732642 ; |
Approved |
Most recent IF: 3.4; 2020 IF: NA |
Call Number |
EMAT @ emat @c:irua:167782 |
Serial |
6375 |
Permanent link to this record |
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Author |
Araizi-Kanoutas, G.; Geessinck, J.; Gauquelin, N.; Smit, S.; Verbeek, X.H.; Mishra, S.K.; Bencok, P.; Schlueter, C.; Lee, T.-L.; Krishnan, D.; Fatermans, J.; Verbeeck, J.; Rijnders, G.; Koster, G.; Golden, M.S. |
Title |
Co valence transformation in isopolar LaCoO3/LaTiO3 perovskite heterostructures via interfacial engineering |
Type |
A1 Journal article |
Year |
2020 |
Publication |
Physical review materials |
Abbreviated Journal |
Phys. Rev. Materials |
Volume |
4 |
Issue ![sorted by Issue field, descending order (down)](img/sort_desc.gif) |
2 |
Pages |
026001 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
We report charge transfer up to a single electron per interfacial unit cell across nonpolar heterointerfaces from the Mott insulator LaTiO3 to the charge transfer insulator LaCoO3. In high-quality bi- and trilayer systems grown using pulsed laser deposition, soft x-ray absorption, dichroism, and scanning transmission electron microscopy-electron energy loss spectroscopy are used to probe the cobalt-3d electron count and provide an element-specific investigation of the magnetic properties. The experiments show the cobalt valence conversion is active within 3 unit cells of the heterointerface, and able to generate full conversion to 3d7 divalent Co, which displays a paramagnetic ground state. The number of LaTiO3/LaCoO3 interfaces, the thickness of an additional, electronically insulating “break” layer between the LaTiO3 and LaCoO3, and the LaCoO3 film thickness itself in trilayers provide a trio of control knobs for average charge of the cobalt ions in LaCoO3, illustrating the efficacy of O−2p band alignment as a guiding principle for property design in complex oxide heterointerfaces. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000513551200007 |
Publication Date |
2020-02-10 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
ISSN |
2475-9953 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.4 |
Times cited |
13 |
Open Access |
OpenAccess |
Notes |
Nederlandse Organisatie voor Wetenschappelijk Onderzoek; Universiteit Antwerpen; Horizon 2020, 730872 ; Department of Science and Technology, Ministry of Science and Technology, SR/NM/Z-07/2015 ; Jawaharlal Nehru Centre for Advanced Scientific Research; |
Approved |
Most recent IF: 3.4; 2020 IF: NA |
Call Number |
EMAT @ emat @c:irua:167787 |
Serial |
6376 |
Permanent link to this record |
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Author |
Bacaksiz, C.; Yagmurcukardes, M.; Peeters, F.M.; Milošević, M.V. |
Title |
Hematite at its thinnest limit |
Type |
A1 Journal article |
Year |
2020 |
Publication |
2d Materials |
Abbreviated Journal |
2D Mater |
Volume |
7 |
Issue ![sorted by Issue field, descending order (down)](img/sort_desc.gif) |
2 |
Pages |
025029 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Motivated by the recent synthesis of two-dimensional alpha-Fe2O3 (Balan et al 2018 Nat. Nanotechnol. 13 602), we analyze the structural, vibrational, electronic and magnetic properties of single- and few-layer alpha-Fe2O3 compared to bulk, by ab initio and Monte-Carlo simulations. We reveal how monolayer alpha-Fe2O3 (hematene) can be distinguished from the few-layer structures, and how they all differ from bulk through observable Raman spectra. The optical spectra exhibit gradual shift of the prominent peak to higher energy, as well as additional features at lower energy when alpha-Fe2O3 is thinned down to a monolayer. Both optical and electronic properties have strong spin asymmetry, meaning that lower-energy optical and electronic activities are allowed for the single-spin state. Finally, our considerations of magnetic properties reveal that 2D hematite has anti-ferromagnetic ground state for all thicknesses, but the critical temperature for Morin transition increases with decreasing sample thickness. On all accounts, the link to available experimental data is made, and further measurements are prompted. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000537341000002 |
Publication Date |
2020-01-20 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
|
Edition |
|
ISSN |
2053-1583 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
5.5 |
Times cited |
12 |
Open Access |
|
Notes |
; This work was supported by Research Foundation-Flanders (FWO-Vlaanderen). Computational resources were provided by Flemish Supercomputer Center(VSC), and TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). Part of this work was also supported by FLAG-ERA project TRANS-2D-TMD and TOPBOF-UAntwerp. MY was supported by a postdoctoral fellowship from the Flemish Science Foundation (FWO-Vl). ; |
Approved |
Most recent IF: 5.5; 2020 IF: 6.937 |
Call Number |
UA @ admin @ c:irua:170301 |
Serial |
6533 |
Permanent link to this record |
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Author |
Kertik, A.; Wee, L.H.; Şentosun, K.; Navarro, J.A.R.; Bals, S.; Martens, J.A.; Vankelecom, I.F.J. |
Title |
High-performance CO2-selective hybrid membranes by exploiting MOF-breathing effects |
Type |
A1 Journal article |
Year |
2020 |
Publication |
Acs Applied Materials & Interfaces |
Abbreviated Journal |
Acs Appl Mater Inter |
Volume |
12 |
Issue ![sorted by Issue field, descending order (down)](img/sort_desc.gif) |
2 |
Pages |
2952-2961 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
Abstract |
Conventional CO2 separation in the petrochemical industry via cryogenic distillation or amine-based absorber-stripper units is energy-intensive and environmentally unfriendly. Membrane-based gas separation technology, in contrast, has contributed significantly to the development of energy-efficient systems for processes such as natural gas purification. The implementation of commercial polymeric membranes in gas separation processes is restricted by their permeability-selectivity trade-off and by their insufficient thermal and chemical stability. Herein, we present the fabrication of a Matrimid-based membrane loaded with a breathing metal-organic framework (MOF) (NH2-MIL-53(Al)) which is capable of separating binary CO2/CH4 gas mixtures with high selectivities without sacrificing much of its CO2 permeabilities. NH2-MIL-53(Al) crystals were embedded in a polyimide (PI) matrix, and the mixed-matrix membranes (MMMs) were treated at elevated temperatures (up to 350 degrees C) in air to trigger PI cross-linking and to create PI-MOF bonds at the interface to effectively seal the grain boundary. Most importantly, the MOF transitions from its narrow-pore form to its large-pore form during this treatment, which allows the PI chains to partly penetrate the pores and cross-link with the amino functions at the pore mouth of the NH2-MIL-53(Al) and stabilizes the open-pore form of NH2-MIL-53(Al). This cross-linked MMM, with MOF pore entrances was made more selective by the anchored PI-chains and achieves outstanding CO2/CH4 selectivities. This approach provides significant advancement toward the design of selective MMMs with enhanced thermal and chemical stabilities which could also be applicable for other potential applications, such as separation of hydrocarbons (olefin/paraffin or isomers), pervaporation, and solvent-resistant nanofiltration. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000508464500108 |
Publication Date |
2019-12-20 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
ISSN |
1944-8244 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
9.5 |
Times cited |
26 |
Open Access |
OpenAccess |
Notes |
; A.K. is grateful to the Erasmus Mundus Doctorate in Membrane Engineering (EUDIME) programme. L.H.W. thanks the FWO-Vlaanderen for a postdoctoral research fellowships under contract number 12M1418N. We thank Methusalem and IAP-PAI for research funding. S.B. acknowledges financial support from European Research Council (ERC) (ERC Starting Grant No. 335078-COLOURATOM). We are also grateful to Frank Mathijs (KU Leuven) for the mechanical tests, Bart Goderis and Olivier Verkinderen for the DSC measurements, and Huntsman (Switzerland) for providing the Matrimid polymer. ; |
Approved |
Most recent IF: 9.5; 2020 IF: 7.504 |
Call Number |
UA @ admin @ c:irua:166576 |
Serial |
6534 |
Permanent link to this record |
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Author |
Liu, P.; Madsen, J.; Schiotz, J.; Wagner, J.B.; Hansen, T.W. |
Title |
Reversible and concerted atom diffusion on supported gold nanoparticles |
Type |
A1 Journal article |
Year |
2020 |
Publication |
Journal Of Physics-materials |
Abbreviated Journal |
|
Volume |
3 |
Issue ![sorted by Issue field, descending order (down)](img/sort_desc.gif) |
2 |
Pages |
024009 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Traditionally, direct imaging of atom diffusion is only available by scanning tunneling microscopy and field ion microscopy on geometry-constrained samples: flat surfaces for STM and needle tips for FIM. Here we show time-resolved atomic-scale HRTEM investigations of CeO2-supported Au nanoparticle surfaces to characterize the surface dynamics of atom columns on gold nanoparticles. The observed surface dynamics have been categorized into four types: layer jumping, layer gliding, re-orientation and surface reconstruction. We successfully captured atoms moving in a concerted manner with a time resolution of 0.1 s. A quantitative approach for measuring the dynamics in various gaseous surroundings at elevated temperatures is presented. An approach for measuring quantitative electron beam effects on the surface dynamics is presented by counting atom column occupation as a function of time under a range of dose rates in high vacuum. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000560432800009 |
Publication Date |
2020-03-24 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
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ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
|
Times cited |
2 |
Open Access |
OpenAccess |
Notes |
; ; |
Approved |
Most recent IF: NA |
Call Number |
UA @ admin @ c:irua:171320 |
Serial |
6597 |
Permanent link to this record |
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Author |
Reyntjens, P.D.; Tiwari, S.; van de Put, M.L.; Sorée, B.; Vandenberghe, W.G. |
Title |
Magnetic properties and critical behavior of magnetically intercalated WSe₂ : a theoretical study |
Type |
A1 Journal article |
Year |
2021 |
Publication |
2d Materials |
Abbreviated Journal |
2D Mater |
Volume |
8 |
Issue ![sorted by Issue field, descending order (down)](img/sort_desc.gif) |
2 |
Pages |
025009 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Transition metal dichalcogenides, intercalated with transition metals, are studied for their potential applications as dilute magnetic semiconductors. We investigate the magnetic properties of WSe2 doped with third-row transition metals (Co, Cr, Fe, Mn, Ti and V). Using density functional theory in combination with Monte Carlo simulations, we obtain an estimate of the Curie or Neel temperature. We find that the magnetic ordering is highly dependent on the dopant type. While Ti and Cr-doped WSe2 have a ferromagnetic ground state, V, Mn, Fe and Co-doped WSe2 are antiferromagnetic in their ground state. For Fe doped WSe2, we find a high Curie-temperature of 327 K. In the case of V-doped WSe2, we find that there are two distinct magnetic phase transitions, originating from a frustrated in-plane antiferromagnetic exchange interaction and a ferromagnetic out-of-plane interaction. We calculate the formation energy and reveal that, in contrast to earlier reports, the formation energy is positive for the intercalated systems studied here. We also show that in the presence of W-vacancies, it becomes favorable for Ti, Fe, and Co to intercalate in WSe2. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000601127600001 |
Publication Date |
2020-12-09 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
ISSN |
2053-1583 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
6.937 |
Times cited |
1 |
Open Access |
OpenAccess |
Notes |
; The project or effort depicted was or is sponsored by the Department of Defense, Defense Threat Reduction Agency. The content of the information does not necessarily reflect the position or the policy of the federal government, and no official endorsement should be inferred. This material is based upon work supported by the National Science Foundation under Grant No. 1802166. Any opinions, findings and conclusions or recommendations expressed in this material are those of the author(s) and do not necessarily reflect the views of the National Science Foundation. This work was supported by IMEC's Industrial Affiliation Program. Peter D Reyntjens acknowledges support by the Eugene McDermott Fellowship program, under Grant Number 201806. ; |
Approved |
Most recent IF: 6.937 |
Call Number |
UA @ admin @ c:irua:174951 |
Serial |
6692 |
Permanent link to this record |
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Author |
Chen, L.; Elibol, K.; Cai, H.; Jiang, C.; Shi, W.; Chen, C.; Wang, H.S.; Wang, X.; Mu, X.; Li, C.; Watanabe, K.; Taniguchi, T.; Guo, Y.; Meyer, J.C.; Wang, H. |
Title |
Direct observation of layer-stacking and oriented wrinkles in multilayer hexagonal boron nitride |
Type |
A1 Journal article |
Year |
2021 |
Publication |
2d Materials |
Abbreviated Journal |
2D Mater |
Volume |
8 |
Issue ![sorted by Issue field, descending order (down)](img/sort_desc.gif) |
2 |
Pages |
024001 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Hexagonal boron nitride (h-BN) has long been recognized as an ideal substrate for electronic devices due to its dangling-bond-free surface, insulating nature and thermal/chemical stability. These properties of the h-BN multilayer are mainly determined by its lattice structure. Therefore, to analyse the lattice structure and orientation of h-BN crystals becomes important. Here, the stacking order and wrinkles of h-BN are investigated by transmission electron microscopy. It is experimentally confirmed that the layers in the h-BN flakes are arranged in the AA ' stacking. The wrinkles in a form of threefold network throughout the h-BN crystal are oriented along the armchair direction, and their formation mechanism was further explored by molecular dynamics simulations. Our findings provide a deep insight about the microstructure of h-BN and shed light on the structural design/electronic modulations of two-dimensional crystals. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000605937500001 |
Publication Date |
2020-12-16 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2053-1583 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
6.937 |
Times cited |
|
Open Access |
OpenAccess |
Notes |
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Approved |
Most recent IF: 6.937 |
Call Number |
UA @ admin @ c:irua:174950 |
Serial |
6723 |
Permanent link to this record |
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Author |
Kashiwar, A.; Hahn, H.; Kubel, C. |
Title |
In situ TEM observation of cooperative grain rotations and the Bauschinger effect in nanocrystalline palladium |
Type |
A1 Journal article |
Year |
2021 |
Publication |
Nanomaterials |
Abbreviated Journal |
Nanomaterials-Basel |
Volume |
11 |
Issue ![sorted by Issue field, descending order (down)](img/sort_desc.gif) |
2 |
Pages |
432 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
Abstract |
We report on cooperative grain rotation accompanied by a strong Bauschinger effect in nanocrystalline (nc) palladium thin film. A thin film of nc Pd was subjected to cyclic loading-unloading using in situ TEM nanomechanics, and the evolving microstructural characteristics were investigated with ADF-STEM imaging and quantitative ACOM-STEM analysis. ADF-STEM imaging revealed a partially reversible rotation of nanosized grains with a strong out-of-plane component during cyclic loading-unloading experiments. Sets of neighboring grains were shown to rotate cooperatively, one after the other, with increasing/decreasing strain. ACOM-STEM in conjunction with these experiments provided information on the crystallographic orientation of the rotating grains at different strain levels. Local Nye tensor analysis showed significantly different geometrically necessary dislocation (GND) density evolution within grains in close proximity, confirming a locally heterogeneous deformation response. The GND density analysis revealed the formation of dislocation pile-ups at grain boundaries (GBs), indicating the generation of back stresses during unloading. A statistical analysis of the orientation changes of individual grains showed the rotation of most grains without global texture development, which fits to both dislocation- and GB sliding-based mechanisms. Overall, our quantitative in situ experimental approach explores the roles of these different deformation mechanisms operating in nanocrystalline metals during cyclic loading. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000622951500001 |
Publication Date |
2021-02-14 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
ISSN |
2079-4991 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.553 |
Times cited |
|
Open Access |
OpenAccess |
Notes |
|
Approved |
Most recent IF: 3.553 |
Call Number |
UA @ admin @ c:irua:176770 |
Serial |
6729 |
Permanent link to this record |
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Author |
Do, M.T.; Gauquelin, N.; Nguyen, M.D.; Blom, F.; Verbeeck, J.; Koster, G.; Houwman, E.P.; Rijnders, G. |
Title |
Interface degradation and field screening mechanism behind bipolar-cycling fatigue in ferroelectric capacitors |
Type |
A1 Journal article |
Year |
2021 |
Publication |
Apl Materials |
Abbreviated Journal |
Apl Mater |
Volume |
9 |
Issue ![sorted by Issue field, descending order (down)](img/sort_desc.gif) |
2 |
Pages |
021113 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
Abstract |
Polarization fatigue, i.e., the loss of polarization of ferroelectric capacitors upon field cycling, has been widely discussed as an interface related effect. However, mechanism(s) behind the development of fatigue have not been fully identified. Here, we study the fatigue mechanisms in Pt/PbZr0.52Ti0.48O3/SrRuO3 (Pt/PZT/SRO) capacitors in which all layers are fabricated by pulsed laser deposition without breaking the vacuum. With scanning transmission electron microscopy, we observed that in the fatigued capacitor, the Pt/PZT interface becomes structurally degraded, forming a 5 nm-10 nm thick non-ferroelectric layer of crystalline ZrO2 and diffused Pt grains. We then found that the fatigued capacitors can regain the full initial polarization switching if the externally applied field is increased to at least 10 times the switching field of the pristine capacitor. These findings suggest that polarization fatigue is driven by a two-step mechanism. First, the transient depolarization field that repeatedly appears during the domain switching under field cycling causes decomposition of the metal/ferroelectric interface, resulting in a non-ferroelectric degraded layer. Second, this interfacial non-ferroelectric layer screens the external applied field causing an increase in the coercive field beyond the usually applied maximum field and consequently suppresses the polarization switching in the cycled capacitor. Our work clearly confirms the key role of the electrode/ferroelectric interface in the endurance of ferroelectric-based devices. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000630052100006 |
Publication Date |
2021-02-09 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
2166-532x |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
4.335 |
Times cited |
5 |
Open Access |
OpenAccess |
Notes |
This work was supported by the Nederlandse Organisatie voor Wetenschappelijk Onderzoek through Grant No. F62.3.15559. The Qu-Ant-EM microscope and the direct electron detector were partly funded by the Hercules fund from the Flemish Government. N.G. and J.V. acknowledge funding from the GOA project “Solarpaint” of the University of Antwerp. This work has also received funding from the European Union's Horizon 2020 research and innovation program under Grant No. 823717-ESTEEM3. We acknowledge D. Chezganov for his useful insights. |
Approved |
Most recent IF: 4.335 |
Call Number |
UA @ admin @ c:irua:177663 |
Serial |
6783 |
Permanent link to this record |
|
|
|
Author |
Chaves, A.; Covaci, L.; Peeters, F.M.; Milošević, M.V. |
Title |
Topologically protected moiré exciton at a twist-boundary in a van der Waals heterostructure |
Type |
A1 Journal article |
Year |
2022 |
Publication |
2D materials |
Abbreviated Journal |
2D Mater |
Volume |
9 |
Issue ![sorted by Issue field, descending order (down)](img/sort_desc.gif) |
2 |
Pages |
025012 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
Abstract |
A twin boundary in one of the layers of a twisted van der Waals heterostructure separates regions with near opposite inter-layer twist angles. In a MoS<sub>2</sub>/WSe<sub>2</sub>bilayer, the regions with<inline-formula><tex-math><?CDATA $Rh^h$?></tex-math><math overflow=“scroll”><msubsup><mi>R</mi><mi>h</mi><mi>h</mi></msubsup></math><inline-graphic href=“tdmac529dieqn1.gif” type=“simple” /></inline-formula>and<inline-formula><tex-math><?CDATA $Rh^X$?></tex-math><math overflow=“scroll”><msubsup><mi>R</mi><mi>h</mi><mi>X</mi></msubsup></math><inline-graphic href=“tdmac529dieqn2.gif” type=“simple” /></inline-formula>stacking registry that defined the sub-lattices of the moiré honeycomb pattern would be mirror-reflected across such a twist boundary. In that case, we demonstrate that topologically protected chiral moiré exciton states are confined at the twist boundary. These are one-dimensional and uni-directional excitons with opposite velocities for excitons composed by electronic states with opposite valley/spin character, enabling intrinsic, guided, and far reaching valley-polarized exciton currents. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000760518100001 |
Publication Date |
2022-04-01 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
2053-1583 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
5.5 |
Times cited |
3 |
Open Access |
OpenAccess |
Notes |
Fonds Wetenschappelijk Onderzoek; Conselho Nacional de Desenvolvimento Científico e Tecnológico, PQ ; |
Approved |
Most recent IF: 5.5 |
Call Number |
CMT @ cmt @c:irua:187124 |
Serial |
7046 |
Permanent link to this record |
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|
Author |
Sevik, C.; Bekaert, J.; Petrov, M.; Milošević, M.V. |
Title |
High-temperature multigap superconductivity in two-dimensional metal borides |
Type |
A1 Journal article |
Year |
2022 |
Publication |
Physical review materials |
Abbreviated Journal |
Phys. Rev. Materials |
Volume |
6 |
Issue ![sorted by Issue field, descending order (down)](img/sort_desc.gif) |
2 |
Pages |
024803 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
|
Address |
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Corporate Author |
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Thesis |
|
Publisher |
|
Place of Publication |
|
Editor |
|
Language |
|
Wos |
000766666300003 |
Publication Date |
2022-02-28 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
2475-9953 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.4 |
Times cited |
4 |
Open Access |
Not_Open_Access |
Notes |
Universiteit Antwerpen; Türkiye Bilimsel ve Teknolojik Araştirma Kurumu, COST-118F187 ; Air Force Office of Scientific Research, FA9550-19-1-7048 ; Fonds Wetenschappelijk Onderzoek; |
Approved |
Most recent IF: 3.4 |
Call Number |
CMT @ cmt @c:irua:187126 |
Serial |
7047 |
Permanent link to this record |
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|
Author |
Menezes, R.M.; Šabani, D.; Bacaksiz, C.; de Souza Silva, C.C.; Milošević, M.V. |
Title |
Tailoring high-frequency magnonics in monolayer chromium trihalides |
Type |
A1 Journal article |
Year |
2022 |
Publication |
2D materials |
Abbreviated Journal |
2D Mater |
Volume |
9 |
Issue ![sorted by Issue field, descending order (down)](img/sort_desc.gif) |
2 |
Pages |
025021 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Monolayer chromium-trihalides, the archetypal two-dimensional (2D) magnetic materials, are readily suggested as a promising platform for high-frequency magnonics. Here we detail the spin-wave properties of monolayer CrBr<sub>3</sub>and CrI<sub>3</sub>, using spin-dynamics simulations parametrized from the first principles. We reveal that spin-wave dispersion can be tuned in a broad range of frequencies by strain, paving the way towards flexo-magnonic applications. We further show that ever-present halide vacancies in these monolayers host sufficiently strong Dzyaloshinskii-Moriya interaction to scatter spin-waves, which promotes design of spin-wave guides by defect engineering. Finally we discuss the spectra of spin-waves propagating across a moiré-periodic modulation of magnetic parameters in a van der Waals heterobilayer, and show that the nanoscale moiré periodicities in such samples are ideal for realization of a magnonic crystal in the terahertz frequency range. Recalling the additional tunability of magnetic 2D materials by electronic gating, our results situate these systems among the front-runners for prospective high-frequency magnonic applications. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000771735500001 |
Publication Date |
2022-04-01 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
2053-1583 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
5.5 |
Times cited |
|
Open Access |
OpenAccess |
Notes |
Fundação de Amparo à Ciência e Tecnologia do Estado de Pernambuco; Special Research Funds of the University of Antwerp; Conselho Nacional de Desenvolvimento Científico e Tecnológico; Fonds Wetenschappelijk Onderzoek; Coordenação de Aperfeiçoamento de Pessoal de Nível Superior; |
Approved |
Most recent IF: 5.5 |
Call Number |
CMT @ cmt @c:irua:187125 |
Serial |
7048 |
Permanent link to this record |
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|
Author |
Soenen, M.; Bacaksiz, C.; Menezes, R.M.; Milošević, M.V. |
Title |
Stacking-dependent topological magnons in bilayer CrI₃ |
Type |
A1 Journal article |
Year |
2023 |
Publication |
Physical review materials |
Abbreviated Journal |
|
Volume |
7 |
Issue ![sorted by Issue field, descending order (down)](img/sort_desc.gif) |
2 |
Pages |
024421-10 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Motivated by the potential of atomically thin magnets towards achieving tunable high-frequency magnonics, we detail the spin-wave dispersion of bilayer CrI3. We demonstrate that the magnonic behavior of the bilayer strongly depends on its stacking configuration and the interlayer magnetic ordering, where a topological band gap opens in the dispersion caused by the Dzyaloshinskii-Moriya and Kitaev interactions, classifying bilayer CrI3 as a topological magnon insulator. We further reveal that both the size and the topology of the band gap in a CrI3 bilayer with an antiferromagnetic interlayer ordering are tunable by an external magnetic field. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000943169600001 |
Publication Date |
2023-02-28 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
2475-9953 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.4 |
Times cited |
|
Open Access |
OpenAccess |
Notes |
|
Approved |
Most recent IF: 3.4; 2023 IF: NA |
Call Number |
UA @ admin @ c:irua:195179 |
Serial |
7338 |
Permanent link to this record |
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|
Author |
Mulder, J.T.; Meijer, M.S.; van Blaaderen, J.J.; du Fosse, I.; Jenkinson, K.; Bals, S.; Manna, L.; Houtepen, A.J. |
Title |
Understanding and preventing photoluminescence quenching to achieve unity photoluminescence quantum yield in Yb:YLF nanocrystals |
Type |
A1 Journal article |
Year |
2023 |
Publication |
ACS applied materials and interfaces |
Abbreviated Journal |
|
Volume |
15 |
Issue ![sorted by Issue field, descending order (down)](img/sort_desc.gif) |
2 |
Pages |
3274-3286 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
Abstract |
Ytterbium-doped LiYF4 (Yb:YLF) is a commonly used material for laser applications, as a photon upconversion medium, and for optical refrigeration. As nanocrystals (NCs), the material is also of interest for biological and physical applications. Unfortunately, as with most phosphors, with the reduction in size comes a large reduction of the photoluminescence quantum yield (PLQY), which is typically associated with an increase in surface-related PL quenching. Here, we report the synthesis of bipyramidal Yb:YLF NCs with a short axis of similar to 60 nm. We systematically study and remove all sources of PL quenching in these NCs. By chemically removing all traces of water from the reaction mixture, we obtain NCs that exhibit a near-unity PLQY for an Yb3+ concentration below 20%. At higher Yb3+ concentrations, efficient concentration quenching occurs. The surface PL quenching is mitigated by growing an undoped YLF shell around the NC core, resulting in near-unity PLQY values even for fully Yb3+-based LiYbF4 cores. This unambiguously shows that the only remaining quenching sites in core-only Yb:YLF NCs reside on the surface and that concentration quenching is due to energy transfer to the surface. Monte Carlo simulations can reproduce the concentration dependence of the PLQY. Surprisingly, Fo''rster resonance energy transfer does not give satisfactory agreement with the experimental data, whereas nearest-neighbor energy transfer does. This work demonstrates that Yb3+-based nanophosphors can be synthesized with a quality close to that of bulk single crystals. The high Yb3+ concentration in the LiYbF4/LiYF4 core/shell nanocrystals increases the weak Yb3+ absorption, making these materials highly promising for fundamental studies and increasing their effectiveness in bioapplications and optical refrigeration. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000912997300001 |
Publication Date |
2023-01-06 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1944-8244 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
9.5 |
Times cited |
3 |
Open Access |
OpenAccess |
Notes |
This project has received funding from the European Union's Horizon 2020 research and innovation program under Grant Agreement No. 766900 (Testing the Large-Scale Limit of Quantum Mechanics). A.J.H. and I.d.F. further acknowledge the European Research Council Horizon 2020 ERC Grant Agreement No. 678004 (Doping on Demand) for financial support. The authors thank Freddy Rabouw and Andries Meijerink (Utrecht University) for very fruitful discussions and extremely useful advice. The author s thank Jos Thieme for his help with the laser setups used . The authors furthermore thank Niranjan Saikumar for proofreading the manuscript. |
Approved |
Most recent IF: 9.5; 2023 IF: 7.504 |
Call Number |
UA @ admin @ c:irua:194317 |
Serial |
7348 |
Permanent link to this record |
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|
Author |
Siriwardane, E.M.D.; Demiroglu, I.; Sevik, C.; Cakir, D. |
Title |
Achieving Fast Kinetics and Enhanced Li Storage Capacity for Ti3C2O2 by Intercalation of Quinone Molecules |
Type |
A1 Journal article |
Year |
2019 |
Publication |
ACS applied energy materials |
Abbreviated Journal |
|
Volume |
2 |
Issue ![sorted by Issue field, descending order (down)](img/sort_desc.gif) |
2 |
Pages |
1251-1258 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
Abstract |
Using first-principles calculations, we demonstrated that high lithium storage capacity and fast kinetics are achieved for Ti3C2O2 by preintercalating organic molecules. As a proof-of-concept, two different quinone molecules, namely 1,4-benzoquinone (C6H4O2) and tetrafluoro-1,4-benzoquinone (C6F4O2) were selected as the molecular linkers to demonstrate the feasibility of this interlayer engineering strategy for energy storage. As compared to Ti3C2O2 bilayer without linker molecules, our pillared structures facilitate a much faster ion transport, promising a higher charge/discharge rate for Li. For example, while the diffusion barrier of a single Li ion within pristine Ti3C2O2 bilayer is at least 1.0 eV, it becomes 0.3 eV in pillared structures, which is comparable and even lower than that of commercial materials. At high Li concentrations, the calculated diffusion barriers are as low as 0.4 eV. Out-of-plane migration of Li ions is hindered due to large barrier energy with a value of around 1-1.35 eV. Concerning storage capacity, we can only intercalate one monolayer of Li within pristine Ti3C2O2 bilayer. In contrast, pillared structures offer significantly higher storage capacity. Our calculations showed that at least two layers of Li can be intercalated between Ti3C2O2 layers without forming bulk Li and losing the pillared structure upon Li loading/unloading. A small change in the in-plane lattice parameters (<0.5%) and volume (<1.0%) and ab initio molecular dynamics simulations prove the stability of the pillared structures against Li intercalation and thermal effects. Intercalated molecules avoid the large contraction/expansion of the whole structure, which is one of the key problems in electrochemical energy storage. Pillared structures allow us to realize electrodes with high capacity and fast kinetics. Our results open new research paths for improving the performance of not only MXenes but also other layered materials for supercapacitor and battery applications. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000459948900037 |
Publication Date |
2019-01-04 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
|
Edition |
|
ISSN |
2574-0962 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
|
Times cited |
|
Open Access |
|
Notes |
|
Approved |
no |
Call Number |
UA @ admin @ c:irua:193759 |
Serial |
7414 |
Permanent link to this record |
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Author |
Jain, R.; Rather, J.A.; Dwivedi, A. |
Title |
Voltammetric behaviour of nitroxazepine in solubilized system and biological fluids |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Materials science and engineering: part C: biomimetic materials |
Abbreviated Journal |
|
Volume |
31 |
Issue ![sorted by Issue field, descending order (down)](img/sort_desc.gif) |
2 |
Pages |
230-237 |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
This study reports the development and validation of sensitive and selective assay method for the determination of the antidepressant drug in solubilized system and biological fluids. Solubilized system of different surfactants including cationic, anionic and non-ionic influences the electrochemical response of drug. Addition of cationic surfactant cetrimide to the solution containing drug enhances the peak current signal while anionic and non-ionic showed an opposite effect. The current signal due to reduction process was function of concentration of nitroxazepine, pH, type of surfactant and preconcentration time at the electrode surface. The reduction process is irreversible and adsorption controlled at HMDE. Various chemical and instrumental parameters affecting the monitored electroanalytical response were investigated and optimized for niroxazepine hydrochloride determination. The proposed SWCAdSV and DPCAdSV methods are linear over the concentration range 2.0 × 10-7 5.0 × 10-9 mol/L and 6.1 × 10-7 1.0 × 10-8 mol/L with detection limit of 1.62 × 10-10 mo/L and 1.4 × 10-9 mo/L respectively. The method shows good sensitivity, selectivity, accuracy and precision that makes it very suitable for determination of nitroxazepine in pharmaceutical formulation and biological fluids. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000286707900024 |
Publication Date |
2010-09-08 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
ISSN |
0928-4931 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
|
Times cited |
|
Open Access |
|
Notes |
|
Approved |
no |
Call Number |
UA @ admin @ c:irua:98685 |
Serial |
8743 |
Permanent link to this record |
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Author |
Blagojević, J.; Mijin, S.D.; Bekaert, J.; Opačić, M.; Liu, Y.; Milošević, M.V.; Petrović, C.; Popović, Z.V.; Lazarević, N. |
Title |
Competition of disorder and electron-phonon coupling in 2H-TaSe2-xSx (0≤x≤2) as evidenced by Raman spectroscopy |
Type |
A1 Journal article |
Year |
2024 |
Publication |
Physical review materials |
Abbreviated Journal |
|
Volume |
8 |
Issue ![sorted by Issue field, descending order (down)](img/sort_desc.gif) |
2 |
Pages |
024004-24008 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The vibrational properties of 2H-TaSe<sub>2-x</sub>S<sub>x</sub> (0≤x≤2) single crystals were probed using Raman spectroscopy and density functional theory calculations. The end members revealed two out of four symmetry-predicted Raman active modes, together with the pronounced two-phonon structure, attributable to the enhanced electron-phonon coupling. Additional peaks become observable due to crystallographic disorder for the doped samples. The evolution of the E<sub>2</sub>g<sup>2</sup> mode Fano parameter reveals that the disorder has a weak impact on electron-phonon coupling, which is also supported by the persistence of two-phonon structure in doped samples. As such, this research provides thorough insights into the lattice properties, the effects of crystallographic disorder on Raman spectra, and the interplay of this disorder with the electron-phonon coupling in 2H-TaSe<sub>2-x</sub>S<sub>x</sub> compounds. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
001171649400004 |
Publication Date |
2024-02-21 |
Series Editor |
|
Series Title |
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Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
2475-9953 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
Impact Factor |
3.4 |
Times cited |
|
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.4; 2024 IF: NA |
Call Number |
UA @ admin @ c:irua:204404 |
Serial |
9141 |
Permanent link to this record |
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Author |
Szumniak, P.; Bednarek, S.; Pawlowski, J.; Partoens, B. |
Title |
All-electrical control of quantum gates for single heavy-hole spin qubits |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
87 |
Issue ![sorted by Issue field, descending order (down)](img/sort_desc.gif) |
19 |
Pages |
195307-195312 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
In this paper several nanodevices which realize basic single heavy-hole qubit operations are proposed and supported by time-dependent self-consistent Poisson-Schrodinger calculations using a four band heavy-hole-light-hole model. In particular we propose a set of nanodevices which can act as Pauli X, Y, Z quantum gates and as a gate that acts similar to a Hadamard gate (i.e., it creates a balanced superposition of basis states but with an additional phase factor) on the heavy-hole spin qubit. We also present the design and simulation of a gated semiconductor nanodevice which can realize an arbitrary sequence of all these proposed single quantum logic gates. The proposed devices exploit the self-focusing effect of the hole wave function which allows for guiding the hole along a given path in the form of a stable solitonlike wave packet. Thanks to the presence of the Dresselhaus spin-orbit coupling, the motion of the hole along a certain direction is equivalent to the application of an effective magnetic field which induces in turn a coherent rotation of the heavy-hole spin. The hole motion and consequently the quantum logic operation is initialized only by weak static voltages applied to the electrodes which cover the nanodevice. The proposed gates allow for an all electric and ultrafast (tens of picoseconds) heavy-hole spin manipulation and give the possibility to implement a scalable architecture of heavy-hole spin qubits for quantum computation applications. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000319252200003 |
Publication Date |
2013-05-21 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
14 |
Open Access |
|
Notes |
; This work was supported by the Polish National Science Center (Grant No. DEC-2011/03/N/ST3/02963), as well as by the “Krakow Interdisciplinary PhD-Project in Nanoscience and Advanced Nanostructures” operated within the Foundation for Polish Science MPD Programme, co-financed by the European Regional Development Fund. This research was supported in part by PL-Grid Infrastructure. ; |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
Call Number |
UA @ lucian @ c:irua:109002 |
Serial |
88 |
Permanent link to this record |
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Author |
Kosimov, D.P.; Dzhurakhalov, A.A.; Peeters, F.M. |
Title |
Carbon clusters: from ring structures to nanographene |
Type |
A1 Journal article |
Year |
2010 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
81 |
Issue ![sorted by Issue field, descending order (down)](img/sort_desc.gif) |
19 |
Pages |
195414,1-195414,12 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT); Integrated Molecular Plant Physiology Research (IMPRES); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
The lowest-energy configurations of Cn(n≤55) clusters are obtained using the energy-minimization technique with the conjugate gradient method where a modified Brenner potential is invoked to describe the carbon and hydrocarbon interaction. We found that the ground-state configuration consists of a single ring for small number of C atoms and multiring structures are found with increasing n, which can be in planar, bowl-like or caplike form. Contrary to previous predictions, the binding energy Eb does not show even-odd oscillations and only small jumps are found in the Eb(n) curve as a consequence of specific types of edges or equivalently the number of secondary atoms. We found that hydrogenation of the edge atoms may change the ground-state configuration of the nanocluster. In both cases we determined the magic clusters. Special attention is paid to trigonal and hexagonal shaped carbon clusters and to clusters having a graphenelike configuration. Trigonal clusters are never the ground state while hexagonal-shaped clusters are only the ground state when they have zigzag edges. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
|
Wos |
000278142000103 |
Publication Date |
2010-05-10 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
55 |
Open Access |
|
Notes |
; This work was supported by the Belgian Science Policy (IAP) and the Flemish Science Foundation (FWO-V1). ; |
Approved |
Most recent IF: 3.836; 2010 IF: 3.774 |
Call Number |
UA @ lucian @ c:irua:83385 |
Serial |
278 |
Permanent link to this record |
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Author |
Compemolle, S.; Pourtois, G.; Sorée, B.; Magnus, W.; Chibotaru, L.F.; Ceulemans, A. |
Title |
Conductance of a copper-nanotube bundle interface: impact of interface geometry and wave-function interference |
Type |
A1 Journal article |
Year |
2008 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
77 |
Issue ![sorted by Issue field, descending order (down)](img/sort_desc.gif) |
19 |
Pages |
193406,1-4 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
|
Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
Lancaster, Pa |
Editor |
|
Language |
|
Wos |
000256971600032 |
Publication Date |
2008-05-20 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
8 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.836; 2008 IF: 3.322 |
Call Number |
UA @ lucian @ c:irua:70215 |
Serial |
479 |
Permanent link to this record |
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Author |
Badalyan, S.M.; Peeters, F.M. |
Title |
Effect of nonhomogenous dielectric background on the plasmon modes in graphene double-layer structures at finite temperatures |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
85 |
Issue ![sorted by Issue field, descending order (down)](img/sort_desc.gif) |
19 |
Pages |
195444-195444,6 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
We have calculated the plasmon modes in graphene double layer structures at finite temperatures, taking into account the inhomogeneity of the dielectric background of the system. The effective dielectric function is obtained from the solution of the Poisson equation of a three-layer dielectric medium with graphene sheets located at the interfaces, separating the different materials. Due to the momentum dispersion of the effective dielectric function, the intra- and interlayer bare Coulomb interactions in the graphene double layer system acquires an additional momentum dependence-an effect that is of the order of the interlayer interaction itself. We show that the energies of the in-phase and out-of-phase plasmon modes are determined largely by different values of the spatially dependent effective dielectric function. The effect of the dielectric inhomogeneity increases with temperature, and even at high temperatures the energy shift induced by the dielectric inhomogeneity and temperature itself remains larger than the broadening of the plasmon energy dispersions due to the Landau damping. The obtained new features of the plasmon dispersions can be observed in frictional drag measurements and in inelastic light scattering and electron energy-loss spectroscopies. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000304394800011 |
Publication Date |
2012-05-23 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
67 |
Open Access |
|
Notes |
; We thank G. Vignale for useful discussions and acknowledge support from the Flemisch Science Foundation (FWO-Fl) and the Belgian Science Policy (BELSPO). ; |
Approved |
Most recent IF: 3.836; 2012 IF: 3.767 |
Call Number |
UA @ lucian @ c:irua:98941 |
Serial |
826 |
Permanent link to this record |
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Author |
Zhang, S.H.; Xu, W.; Peeters, F.M.; Badalyan, S.M. |
Title |
Electron energy and temperature relaxation in graphene on a piezoelectric substrate |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
89 |
Issue ![sorted by Issue field, descending order (down)](img/sort_desc.gif) |
19 |
Pages |
195409 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
We study the energy and temperature relaxation of electrons in graphene on a piezoelectric substrate. Scattering from the combined potential of extrinsic piezoelectric surface acoustical (PA) phonons of the substrate and intrinsic deformation acoustical phonons of graphene is considered for a (non) degenerate gas of Dirac fermions. It is shown that in the regime of low energies or temperatures the PA phonons dominate the relaxation and change qualitatively its character. This prediction is relevant for quantum metrology and electronic applications using graphene devices and suggests an experimental setup for probing electron-phonon coupling in graphene. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000336000400008 |
Publication Date |
2014-05-09 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
|
Edition |
|
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
18 |
Open Access |
|
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem program of the Flemish government. ; |
Approved |
Most recent IF: 3.836; 2014 IF: 3.736 |
Call Number |
UA @ lucian @ c:irua:117675 |
Serial |
928 |
Permanent link to this record |
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Author |
Titantah, J.T.; Lamoen, D. |
Title |
Energy-loss near-edge structure changes with bond length in carbon systems |
Type |
A1 Journal article |
Year |
2005 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
72 |
Issue ![sorted by Issue field, descending order (down)](img/sort_desc.gif) |
19 |
Pages |
193104,1-4 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lancaster, Pa |
Editor |
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Language |
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Wos |
000233603700004 |
Publication Date |
2005-11-28 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
24 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.836; 2005 IF: 3.185 |
Call Number |
UA @ lucian @ c:irua:56050 |
Serial |
1041 |
Permanent link to this record |
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Author |
Leenaerts, O.; Peelaers, H.; Hernández-Nieves, A.D.; Partoens, B.; Peeters, F.M. |
Title |
First-principles investigation of graphene fluoride and graphane |
Type |
A1 Journal article |
Year |
2010 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
82 |
Issue ![sorted by Issue field, descending order (down)](img/sort_desc.gif) |
19 |
Pages |
195436,1-195436,6 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Different stoichiometric configurations of graphane and graphene fluoride are investigated within density-functional theory. Their structural and electronic properties are compared, and we indicate the similarities and differences among the various configurations. Large differences between graphane and graphene fluoride are found that are caused by the presence of charges on the fluorine atoms. A configuration that is more stable than the boat configuration is predicted for graphene fluoride. We also perform GW calculations for the electronic band gap of both graphene derivatives. These band gaps and also the calculated Youngs moduli are at variance with available experimental data. This might indicate that the experimental samples contain a large number of defects or are only partially covered with H or F. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000284399200004 |
Publication Date |
2010-11-18 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
367 |
Open Access |
|
Notes |
; This work was supported by the Flemish Science Foundation (FWO-V1), the NOI-BOF of the University of Antwerp, the Belgian Science Policy (IAP), and the collaborative project FWO-MINCyT (Grant No. FW/08/01). A.D.H. also acknowledges support from ANPCyT (Grant No. PICT 2008-2236). ; |
Approved |
Most recent IF: 3.836; 2010 IF: 3.774 |
Call Number |
UA @ lucian @ c:irua:86916 |
Serial |
1212 |
Permanent link to this record |
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Author |
Shakouri, K.; Badalyan, S.M.; Peeters, F.M. |
Title |
Helical liquid of snake states |
Type |
A1 Journal article |
Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
88 |
Issue ![sorted by Issue field, descending order (down)](img/sort_desc.gif) |
19 |
Pages |
195404-195405 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
We derive an exact solution to the problem of spin snake states induced in a nonhomogeneous magnetic field by a combined action of the Rashba spin-orbit and Zeeman fields. The electron spin behavior as a function of the cyclotron orbit center position and an external homogeneous magnetic field was obtained. It is shown that in an antisymmetric magnetic field the electron spin in the snake states has only an in-plane projection, perpendicular to the magnetic interface, which vanishes at large positive momenta. Applying an external homogeneous magnetic field adds a finite out-of-plane spin component and simultaneously gaps out the spectral branches, which results in regular beating patterns of the spin current components. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000326820200007 |
Publication Date |
2013-11-07 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
3 |
Open Access |
|
Notes |
; This work was supported by the Methusalem program of the Flemish government and the Flemish Science Foundation (FWO-Vl). ; |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
Call Number |
UA @ lucian @ c:irua:112712 |
Serial |
1416 |
Permanent link to this record |
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Author |
Li, Z.; Covaci, L.; Berciu, M.; Baillie, D.; Marsiglio, F. |
Title |
Impact of spin-orbit coupling on the Holstein polaron |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
83 |
Issue ![sorted by Issue field, descending order (down)](img/sort_desc.gif) |
19 |
Pages |
195104-195104,9 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
We utilize an exact variational numerical procedure to calculate the ground state properties of a polaron in the presence of a Rashba-like spin-orbit interaction. Our results corroborate previous work performed with the momentum average approximation and with weak-coupling perturbation theory. We find that spin-orbit coupling increases the effective mass in the regime with weak electron-phonon coupling, and decreases the effective mass in the regimes of intermediate and strong electron-phonon coupling. Analytical strong-coupling perturbation theory results confirm our numerical results in the small-polaron regime. A large amount of spin-orbit coupling can lead to a significant lowering of the polaron effective mass. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000290162500001 |
Publication Date |
2011-05-03 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
9 |
Open Access |
|
Notes |
; This work was supported in part by the Natural Sciences and Engineering Research Council of Canada (NSERC), by ICORE (Alberta), by Alberta Ingenuity, by the Flemish Science Foundation (FWO-Vl), and by the Canadian Institute for Advanced Research (CIfAR). ; |
Approved |
Most recent IF: 3.836; 2011 IF: 3.691 |
Call Number |
UA @ lucian @ c:irua:89718 |
Serial |
1561 |
Permanent link to this record |
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Author |
Beheshtian, J.; Sadeghi, A.; Neek-Amal, M.; Michel, K.H.; Peeters, F.M. |
Title |
Induced polarization and electronic properties of carbon-doped boron nitride nanoribbons |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
86 |
Issue ![sorted by Issue field, descending order (down)](img/sort_desc.gif) |
19 |
Pages |
195433-195438 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The electronic properties of boron nitride nanoribbons (BNNRs) doped with a line of carbon atoms are investigated using density functional calculations. By replacing a line of alternating B and N atoms with carbons, three different configurations are possible depending on the type of the atoms which bond to the carbons. We found very different electronic properties for these configurations: (i) the NCB arrangement is strongly polarized with a large dipole moment having an unexpected direction, (ii) the BCB and NCN arrangements are nonpolar with zero dipole moment, (iii) the doping by a carbon line reduces the band gap regardless of the local arrangement of the borons and the nitrogens around the carbon line, and (iv) the polarization and energy gap of the carbon-doped BNNRs can be tuned by an electric field applied parallel to the carbon line. Similar effects were found when either an armchair or zigzag line of carbon was introduced. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000311694200006 |
Publication Date |
2012-11-29 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
41 |
Open Access |
|
Notes |
; We would like to thank J. M. Pereira and S. Goedecker for helpful discussions. This work was supported by the Flemish Science Foundation (FWO-Vl), the ESF-EuroGRAPHENE project CONGRAN. M. N.-A is supported by EU-Marie Curie IIF postdoc Fellowship/299522. ; |
Approved |
Most recent IF: 3.836; 2012 IF: 3.767 |
Call Number |
UA @ lucian @ c:irua:105136 |
Serial |
1603 |
Permanent link to this record |
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Author |
Burriel, M.; Casa-Cabanas, M.; Zapata, J.; Tan, H.; Verbeeck, J.; Solis, C.; Roqueta, J.; Skinner, S.J.; Kilner, J.A.; Van Tendeloo, G.; Santiso, J. |
Title |
Influence of the microstructure on the high-temperature transport properties of GdBaCo2O5.5+\delta epitaxial films |
Type |
A1 Journal article |
Year |
2010 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
Volume |
22 |
Issue ![sorted by Issue field, descending order (down)](img/sort_desc.gif) |
19 |
Pages |
5512-5520 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Epitaxial thin films of GdBaCo2O5.5+δ (GBCO) grown by pulsed laser deposition have been studied as a function of deposition conditions. The variation in film structure, domain orientation, and microstructure upon deviations in the cation composition have been correlated with the charge transport properties of the films. The epitaxial GBCO films mainly consist of single- and double-perovskite regions that are oriented in different directions depending on the deposition temperature. Additionally, cobalt depletion induces the formation of a high density of stacking defects in the films, consisting of supplementary GdO planes along the c-axis of the material. The presence of such defects progressively reduces the electrical conductivity. The films closer to the stoichiometric composition have shown p-type electronic conductivity at high pO2 with values as high as 800 S/cm at 330 °C in 1 atm O2, and with a pO2 power dependence with an exponent as low as 1/25, consistent with the behavior reported for bulk GBCO. These values place GBCO thin films as a very promising material to be applied as cathodes in intermediate temperature solid oxide fuel cells. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Washington, D.C. |
Editor |
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Language |
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Wos |
000282471000013 |
Publication Date |
2010-09-20 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0897-4756;1520-5002; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
9.466 |
Times cited |
17 |
Open Access |
|
Notes |
Fwo; Esteem 026019 |
Approved |
Most recent IF: 9.466; 2010 IF: 6.400 |
Call Number |
UA @ lucian @ c:irua:85412UA @ admin @ c:irua:85412 |
Serial |
1648 |
Permanent link to this record |
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Author |
Bousige, C.; Rols, S.; Cambedouzou, J.; Verberck, B.; Pekker, S.; Kováts, É.; Durkó, G.; Jalsovsky, I.; Pellegrini, É.; Launois, P. |
Title |
Lattice dynamics of a rotor-stator molecular crystal: Fullerene-cubane C60\centerdot C8H8 |
Type |
A1 Journal article |
Year |
2010 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
82 |
Issue ![sorted by Issue field, descending order (down)](img/sort_desc.gif) |
19 |
Pages |
195413-195413,10 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The dynamics of fullerene-cubane (C60⋅C8H8) cocrystal is studied combining experimental [x-ray diffuse scattering, quasielastic and inelastic neutron scattering (INS)] and simulation (molecular dynamics) investigations. Neutron scattering gives direct evidence of the free rotation of fullerenes and of the libration of cubanes in the high-temperature phase, validating the rotor-stator description of this molecular system. X-ray diffuse scattering shows that orientational disorder survives the order/disorder transition in the low-temperature phase, although the loss of fullerene isotropic rotational diffusion is featured by the appearance of a 2.2 meV mode in the INS spectra. The coupling between INS and simulations allows identifying a degeneracy lift of the cubane librations in the low temperature phase, which is used as a tool for probing the environment of cubane in this phase and for getting further insights into the phase transition mechanism. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000283923500004 |
Publication Date |
2010-11-08 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited |
16 |
Open Access |
|
Notes |
; The authors acknowledge P.-A. Albouy and S. Rouziere (LPS, Orsay) for fruitful discussions and for their support during diffuse scattering experiments. Work in Hungary was supported by the Hungarian Research Fund, OTKA under Grant No. K72954. The CS group at the ILL is acknowledged for their support during the MD simulations. ; |
Approved |
Most recent IF: 3.836; 2010 IF: 3.774 |
Call Number |
UA @ lucian @ c:irua:85801 |
Serial |
1802 |
Permanent link to this record |