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| Author | Kim, W.; Covaci, L.; Marsiglio, F. | ||||
| Title | Impurity scattering of wave packets on a lattice | Type | A1 Journal article | ||
| Year | 2006 | Publication | Physical Review B | Abbreviated Journal | Phys Rev B |
| Volume | 74 | Issue | 20 | Pages | 205120 |
| Keywords | A1 Journal article | ||||
| Abstract | Quantum transport in a lattice is distinct from its counterpart in continuum media. Even a free wave packet travels differently in a lattice than in the continuum. We describe quantum scattering in a one-dimensional lattice and illustrate characteristics of quantum transport such as resonant transmission. In particular we examine the transport characteristics of a random trimer model. We demonstrate the real-time propagation of a wave packet and its phase shift due to impurity configurations. Spin-flip scattering is also taken into account in a spin-chain system. We show how individual spins in the chain evolve as a result of a spin-flip interaction between an incoming electron and a spin chain. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000242409400030 | Publication Date | 2006-11-27 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1098-0121 | ISBN | Additional Links | ||
| Impact Factor | 3.836 | Times cited | 14 | Open Access  |
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| Notes | Approved | Most recent IF: 3.836; 2006 IF: 3.107 | |||
| Call Number | UA @ lucian @ | Serial | 4428 | ||
| Permanent link to this record | |||||
| Author | Kim, W.; Covaci, L.; Marsiglio, F. | ||||
| Title | Hidden symmetries of electronic transport in a disordered one-dimensional lattice | Type | A1 Journal article | ||
| Year | 2006 | Publication | Physical Review B | Abbreviated Journal | Phys Rev B |
| Volume | 73 | Issue | 19 | Pages | 195109 |
| Keywords | A1 Journal article | ||||
| Abstract | Correlated, or extended, impurities play an important role in the transport properties of dirty metals. Here, we examine, in the framework of a tight-binding lattice, the transmission of a single electron through an array of correlated impurities. In particular we show that particles transmit through an impurity array in identical fashion, regardless of the direction of traversal. The demonstration of this fact is straightforward in the continuum limit, but requires a detailed proof for the discrete lattice. We also briefly demonstrate and discuss the time evolution of these scattering states, to delineate regions (in time and space) where the aforementioned symmetry is violated. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000237950400042 | Publication Date | 2006-05-11 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1098-0121 | ISBN | Additional Links | ||
| Impact Factor | 3.836 | Times cited | 5 | Open Access |
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| Notes | Approved | Most recent IF: 3.836; 2006 IF: 3.107 | |||
| Call Number | UA @ lucian @ | Serial | 4429 | ||
| Permanent link to this record | |||||
| Author | Kim, W.; Covaci, L.; Dogan, F.; Marsiglio, F. | ||||
| Title | Quantum mechanics of spin transfer in coupled electron-spin chains | Type | A1 Journal article | ||
| Year | 2007 | Publication | Epl | Abbreviated Journal | Epl-Europhys Lett |
| Volume | 79 | Issue | 6 | Pages | 67004 |
| Keywords | A1 Journal article | ||||
| Abstract | The manner in which spin-polarized electrons interact with a magnetized thin film is currently described by a semi-classical approach. This in turn provides our present understanding of the spin transfer, or spin torque phenomenon. However, spin is an intrinsically quantum-mechanical quantity. Here, we make the first strides towards a fully quantum-mechanical description of spin transfer through spin currents interacting with a Heisenberg-coupled spin chain. Because of quantum entanglement, this requires a formalism based on the density matrix approach. Our description illustrates how individual spins in the chain time-evolve as a result of spin transfer. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000250409500023 | Publication Date | 2007-08-24 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0295-5075 | ISBN | Additional Links | ||
| Impact Factor | 1.957 | Times cited | 3 | Open Access |
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| Notes | Approved | Most recent IF: 1.957; 2007 IF: 2.206 | |||
| Call Number | UA @ lucian @ | Serial | 4430 | ||
| Permanent link to this record | |||||
| Author | Covaci, L.; Berciu, M. | ||||
| Title | Holstein polaron: The effect of coupling to multiple-phonon modes | Type | A1 Journal article | ||
| Year | 2007 | Publication | Epl | Abbreviated Journal | Epl-Europhys Lett |
| Volume | 80 | Issue | 6 | Pages | 67001 |
| Keywords | A1 Journal article | ||||
| Abstract | We investigate the effects of coupling to multiple-phonon modes on the properties of a Holstein polaron. To this end, we generalize the Momentum Average approximations MA((0)) and MA((1)) to deal with multiple-phonon modes. As for a single-phonon mode, these approximations are found to be numerically very efficient. They become exact for very weak or very strong couplings, and are highly accurate in the intermediate regimes, e.g. the spectral weights obey exactly the first six, respectively eight, sum rules. Our results show that the effect on ground-state properties is cumulative in nature. As a result, if the effective coupling to one mode is much larger than to all the others, this mode effectively determines the ground-state properties. However, even very weak coupling to a second phonon mode has important non-perturbational effects on the higher-energy spectrum, in particular on the dispersion and the phonon statistics of the polaron band. This has important consequences on the analysis and interpretation of data for real materials. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000251648300016 | Publication Date | 2007-11-30 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0295-5075 | ISBN | Additional Links | ||
| Impact Factor | 1.957 | Times cited | 9 | Open Access |
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| Notes | Approved | Most recent IF: 1.957; 2007 IF: 2.206 | |||
| Call Number | UA @ lucian @ | Serial | 4431 | ||
| Permanent link to this record | |||||
| Author | Marchand, D.; Covaci, L.; Berciu, M.; Franz, M. | ||||
| Title | Giant proximity effect in a phase-fluctuating superconductor | Type | A1 Journal article | ||
| Year | 2008 | Publication | Physical Review Letters | Abbreviated Journal | Phys Rev Lett |
| Volume | 101 | Issue | 9 | Pages | 097004 |
| Keywords | A1 Journal article | ||||
| Abstract | When a tunneling barrier between two superconductors is formed by a normal material that would be a superconductor in the absence of phase fluctuations, the resulting Josephson effect can undergo an enormous enhancement. We establish this novel proximity effect by a general argument as well as a numerical simulation and argue that it may underlie recent experimental observations of the giant proximity effect between two cuprate superconductors separated by a barrier made of the same material rendered normal by severe underdoping. | ||||
| Address | Department of Physics and Astronomy, University of British Columbia, Vancouver, BC, Canada V6T 1Z1 | ||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | English | Wos | 000259195800055 | Publication Date | 2008-08-28 |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0031-9007 | ISBN | Additional Links | ||
| Impact Factor | 8.462 | Times cited | 17 | Open Access |
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| Notes | Approved | Most recent IF: 8.462; 2008 IF: 7.180 | |||
| Call Number | UA @ lucian @ | Serial | 4433 | ||
| Permanent link to this record | |||||
| Author | Covaci, L.; Berciu, M. | ||||
| Title | Polaron formation in the presence of Rashba spin-orbit coupling: implications for spintronics | Type | A1 Journal article | ||
| Year | 2009 | Publication | Physical Review Letters | Abbreviated Journal | Phys Rev Lett |
| Volume | 102 | Issue | 18 | Pages | 186403 |
| Keywords | A1 Journal article | ||||
| Abstract | We study the effects of the Rashba spin-orbit coupling on polaron formation, using a suitable generalization of the momentum average approximation. While previous work on a parabolic band model found that spin-orbit coupling increases the effective mass, we show that the opposite holds for a tight-binding model, unless both the spin-orbit and the electron-phonon couplings are weak. It is thus possible to lower the effective mass of the polaron by increasing the spin-orbit coupling. We also show that when the spin-orbit coupling is large as compared to the phonon energy, the polaron retains only one of the spin-polarized bands in its coherent spectrum. This has major implications for the propagation of spin-polarized currents in such materials, and thus for spintronic applications. | ||||
| Address | Department of Physics, University of British Columbia, Vancouver, British Columbia, Canada, V6T 1Z1 | ||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | English | Wos | 000265948600049 | Publication Date | 2009-05-08 |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0031-9007 | ISBN | Additional Links | ||
| Impact Factor | 8.462 | Times cited | 25 | Open Access |
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| Notes | Approved | Most recent IF: 8.462; 2009 IF: 7.328 | |||
| Call Number | UA @ lucian @ | Serial | 4434 | ||
| Permanent link to this record | |||||
| Author | Juchtmans, R.; Clark, L.; Lubk, A.; Verbeeck, J. | ||||
| Title | Spiral phase plate contrast in optical and electron microscopy | Type | A1 Journal article | ||
| Year | 2016 | Publication | Physical review A | Abbreviated Journal | Phys Rev A |
| Volume | 94 | Issue | 94 | Pages | 023838 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | The use of phase plates in the back focal plane of a microscope is a well-established technique in optical microscopy to increase the contrast of weakly interacting samples and is gaining interest in electron microscopy as well. In this paper we study the spiral phase plate (SPP), also called helical, vortex, or two-dimensional Hilbert phase plate, which adds an angularly dependent phase of the form exp(iℓϕk) to the exit wave in Fourier space. In the limit of large collection angles, we analytically calculate that the average of a pair of l=+-1 SPP filtered images is directly proportional to the gradient squared of the exit wave, explaining the edge contrast previously seen in optical SPP work. We discuss the difference between a clockwise-anticlockwise pair of SPP filtered images and derive conditions under which the modulus of the wave's gradient can be seen directly from one SPP filtered image. This work provides the theoretical background to interpret images obtained with a SPP, thereby opening new perspectives for new experiments to study, for example, magnetic materials in an electron microscope. |
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| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000381882800011 | Publication Date | 2016-08-22 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2469-9926 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 2.925 | Times cited | 10 | Open Access |
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| Notes | The authors acknowledge support from the FWO (Aspirant Fonds Wetenschappelijk Onderzoek – Vlaanderen) and the EU under the Seventh Framework Program (FP7) under a contract for an Integrated Infrastructure Initiative, Reference No. 312483-ESTEEM2 and ERC Starting Grant No. 278510 VORTEX.; ECASJO_ | Approved | Most recent IF: 2.925 | ||
| Call Number | EMAT @ emat @ c:irua:140086 | Serial | 4418 | ||
| Permanent link to this record | |||||
| Author | Balasubramaniam, Y.; Pobedinskas, P.; Janssens, S.D.; Sakr, G.; Jomard, F.; Turner, S.; Lu, Y.G.; Dexters, W.; Soltani, A.; Verbeeck, J.; Barjon, J.; Nesládek, M.; Haenen, K.; | ||||
| Title | Thick homoepitaxial (110)-oriented phosphorus-doped n-type diamond | Type | A1 Journal article | ||
| Year | 2016 | Publication | Applied physics letters | Abbreviated Journal | Appl Phys Lett |
| Volume | 109 | Issue | 109 | Pages | 062105 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | The fabrication of n-type diamond is essential for the realization of electronic components for extreme environments. We report on the growth of a 66 mu m thick homoepitaxial phosphorus-doped diamond on a (110)-oriented diamond substrate, grown at a very high deposition rate of 33 mu m h(-1). A pristine diamond lattice is observed by high resolution transmission electron microscopy, which indicates the growth of high quality diamond. About 2.9 x 10(16) cm(-3) phosphorus atoms are electrically active as substitutional donors, which is 60% of all incorporated dopant atoms. These results indicate that P-doped (110)-oriented diamond films deposited at high growth rates are promising candidates for future use in high-power electronic applications. Published by AIP Publishing. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | American Institute of Physics | Place of Publication | New York, N.Y. | Editor | |
| Language | Wos | 000383183600025 | Publication Date | 2016-08-11 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0003-6951; 1077-3118 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.411 | Times cited | 20 | Open Access |
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| Notes | This work was financially supported by the EU through the FP7 Collaborative Project “DIAMANT,” the “H2020 Research and Innovation Action Project” “GreenDiamond” (No. 640947), and the Research Foundation-Flanders (FWO) (Nos. G.0C02.15N and VS.024.16N). J.V. acknowledges funding from the “Geconcentreerde Onderzoekacties” (GOA) project “Solarpaint” of the University of Antwerp. The TEM instrument was partly funded by the Hercules fund from the Flemish Government. We particularly thank Dr. J. E. Butler (Naval Research Laboratory, USA) for the sample preparation by laser slicing for TEM analysis, Dr. J. Pernot (Universite Grenoble Alpes/CNRS-Institut Neel, France) for helpful discussions, Ms. C. Vilar (Universite de Versailles St. Quentin en Yvelines, France) for technical help on SEM-CL experiments, and Dr. S. S. Nicley (Hasselt University, Belgium) for improving the language of the text. P.P. and S.T. are Postdoctoral Fellows of the Research Foundation-Flanders (FWO). | Approved | Most recent IF: 3.411 | ||
| Call Number | UA @ lucian @ c:irua:137160 | Serial | 4407 | ||
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| Author | Bogaerts, A.; Khosravian, N.; Van der Paal, J.; Verlackt, C.C.W.; Yusupov, M.; Kamaraj, B.; Neyts, E.C. | ||||
| Title | Multi-level molecular modelling for plasma medicine | Type | A1 Journal article | ||
| Year | 2016 | Publication | Journal Of Physics D-Applied Physics | Abbreviated Journal | J Phys D Appl Phys |
| Volume | 49 | Issue | 5 | Pages | 054002-54019 |
| Keywords | A1 Journal article; Plasma, laser ablation and surface modeling – Antwerp (PLASMANT) | ||||
| Abstract | |||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | London | Editor | ||
| Language | Wos | Publication Date | 0000-00-00 | ||
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0022-3727 | ISBN | Additional Links | UA library record | |
| Impact Factor | 2.588 | Times cited | Open Access |
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| Notes | Approved | Most recent IF: 2.588 | |||
| Call Number | UA @ lucian @ c:irua:129798 | Serial | 4467 | ||
| Permanent link to this record | |||||
| Author | Krstajić, P.M.; Van Duppen, B.; Peeters, F.M. | ||||
| Title | Plasmons and their interaction with electrons in trilayer graphene | Type | A1 Journal article | ||
| Year | 2013 | Publication | Physical review : B : condensed matter and materials physics | Abbreviated Journal | Phys Rev B |
| Volume | 88 | Issue | 19 | Pages | 195423 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | The interaction between electrons and plasmons in trilayer graphene is investigated within the Overhauser approach resulting in the “plasmaron” quasiparticle. This interaction is cast into a field theoretical problem, and its effect on the energy spectrum is calculated using improved Wigner-Brillouin perturbation theory. The plasmaron spectrum is shifted with respect to the bare electron spectrum by ΔE(k)∼150−200meV for ABC stacked trilayer graphene and for ABA trilayer graphene by ΔE(k)∼30−150 meV[ ΔE(k) ∼1 −5meV] for the hyperbolic (linear) part of the spectrum. The shift in general increases with the electron concentration and electron momentum. The dispersion of plasmarons is more pronounced in ABC stacked than in ABA stacked trilayer graphene, because of the different energy band structure and their different plasmon dispersion. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000327239200003 | Publication Date | 2013-11-21 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1098-0121 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.836 | Times cited | 10 | Open Access |
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| Notes | ; This work was supported by the Flemish Science Foundation (FWO-Vl), by the ESF-EuroGRAPHENE project CON-GRAN, and by the Serbian Ministry of Education and Science, within the Project No. TR 32008. ; | Approved | Most recent IF: 3.836; 2013 IF: 3.664 | ||
| Call Number | CMT @ cmt @ c:irua:112702 | Serial | 4489 | ||
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| Author | van den Broek, B.; Houssa, M.; Scalise, E.; Pourtois, G.; Afanas'ev, V.V.; Stesmans, A. | ||||
| Title | Two-dimensional hexagonal tin : ab initio geometry, stability, electronic structure and functionalization | Type | A1 Journal article | ||
| Year | 2014 | Publication | 2D materials | Abbreviated Journal | 2D Mater |
| Volume | 1 | Issue | Pages | 021004 | |
| Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | We study the structural, mechanical and electronic properties of the two-dimensional (2D) allotrope of tin: tinene/stanene using first-principles calculation within density functional theory, implemented in a set of computer codes. Continuing the trend of the group-IV 2D materials graphene, silicene and germanene; tinene is predicted to have a honeycomb lattice with lattice parameter of a(0) = 4.62 angstrom and a buckling of d(0) = 0.92 angstrom. The electronic dispersion shows a Dirac cone with zero gap at the Fermi energy and a Fermi velocity of v(F) = 0.97 x 10(6) m s(-1); including spin-orbit coupling yields a bandgap of 0.10 eV. The monolayer is thermally stable up to 700 K, as indicated by first-principles molecular dynamics, and has a phonon dispersion without imaginary frequencies. We explore applied electric field and applied strain as functionalization mechanisms. Combining these two mechanisms allows for an induced bandgap up to 0.21 eV, whilst retaining the linear dispersion, albeit with degraded electronic transport parameters. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | IOP Publishing | Place of Publication | Bristol | Editor | |
| Language | Wos | 000353650400004 | Publication Date | 2014-08-27 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2053-1583 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 6.937 | Times cited | 58 | Open Access |
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| Notes | Approved | Most recent IF: 6.937; 2014 IF: NA | |||
| Call Number | UA @ lucian @ c:irua:134432 | Serial | 4530 | ||
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| Author | Mulkers, J.; Van Waeyenberge, B.; Milošević, M.V. | ||||
| Title | Effects of spatially engineered Dzyaloshinskii-Moriya interaction in ferromagnetic films | Type | A1 Journal article | ||
| Year | 2017 | Publication | Physical review B | Abbreviated Journal | Phys Rev B |
| Volume | 95 | Issue | 95 | Pages | 144401 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | The Dzyaloshinskii-Moriya interaction (DMI) is a chiral interaction that favors formation of domain walls. Recent experiments and ab initio calculations show that there are multiple ways to modify the strength of the interfacially induced DMI in thin ferromagnetic films with perpendicular magnetic anisotropy. In this paper we reveal theoretically the effects of spatially varied DMI on the magnetic state in thin films. In such heterochiral 2D structures we report several emergent phenomena, ranging from the equilibrium spin canting at the interface between regions with different DMI, over particularly strong confinement of domain walls and skyrmions within high-DMI tracks, to advanced applications such as domain tailoring nearly at will, design of magnonic waveguides, and much improved skyrmion racetrack memory. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000399382100003 | Publication Date | 2017-04-03 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2469-9950 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.836 | Times cited | 60 | Open Access |
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| Notes | Fonds Wetenschappelijk Onderzoek, G098917N ; | Approved | Most recent IF: 3.836 | ||
| Call Number | CMT @ cmt @ c:irua:141917 | Serial | 4534 | ||
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| Author | Colin D. Judge, Nicolas Gauquelin, Lori Walters, Mike Wright, James I. Cole, James Madden, Gianluigi A. Botton, Malcolm Griffiths | ||||
| Title | Intergranular fracture in irradiated Inconel X-750 containing very high concentrations of helium and hydrogen | Type | A1 Journal Article | ||
| Year | 2015 | Publication | Journal of Nuclear Materials | Abbreviated Journal | |
| Volume | 457 | Issue | 457 | Pages | 165-172 |
| Keywords | A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ; | ||||
| Abstract | In recent years, it has been observed that Inconel X-750 spacers in CANDU reactors exhibits lower ductility with reduced load carrying capacity following irradiation in a reactor environment. The fracture behaviour of ex-service material was also found to be entirely intergranular at high doses. The thermalized flux spectrum in a CANDU reactor leads to transmutation of 58Ni to 59Ni. The 59Ni itself has unusually high thermal neutron reaction cross-sections of the type: (n, γ), (n, p), and (n, α). The latter two reactions, in particular, contribute to a significant enhancement of the atomic displacements in addition to creating high concentrations of hydrogen and helium within the material. Microstructural examinations by transmission electron microscopy (TEM) have confirmed the presence of helium bubbles in the matrix and aligned along grain boundaries and matrix–precipitate interfaces. Helium bubble size and density are found to be highly dependent on the irradiation temperature and material microstructure; the bubbles are larger within grain boundary precipitates. TEM specimens extracted from fracture surfaces and crack tips provide information that is consistent with crack propagation along grain boundaries due to the presence of He bubbles. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000349169100022 | Publication Date | 2014-11-01 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
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| ISSN | ISBN | Additional Links | |||
| Impact Factor | Times cited | 29 | Open Access |
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| Notes | Approved | Most recent IF: NA | |||
| Call Number | EMAT @ emat @ | Serial | 4540 | ||
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| Author | Macke, S.; Radi, A.; Hamann-Borrero, J.E.; Verna, A.; Bluschke, M.; Brück, S.; Goering, E.; Sutarto, R.; He, F.; Cristiani, G.; Wu, M.; Benckiser, E.; Habermeier, H.-U.; Logvenov, G.; Gauquelin, N.; Botton, G.A; Kajdos, A.P.; Stemmer, S.; Sawatzky,G.A.; Haverkort, M.W.; Keimer, B.; Hinkov, V. | ||||
| Title | Element Specific Monolayer Depth Profiling | Type | A1 Journal Article | ||
| Year | 2014 | Publication | Advanced Materials | Abbreviated Journal | Adv Mater |
| Volume | 26 | Issue | 38 | Pages | 6554-6559 |
| Keywords | A1 Journal Article; Electron Microscopy for Materials Science (EMAT) | ||||
| Abstract | The electronic phase behavior and functionality of interfaces and surfaces in complex materials are strongly correlated to chemical composition profiles, stoichiometry and intermixing. Here a novel analysis scheme for resonant X-ray reflectivity maps is introduced to determine such profiles, which is element specific and non-destructive, and which exhibits atomic-layer resolution and a probing depth of hundreds of nanometers. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000343763200004 | Publication Date | 2014-08-08 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1521-4095 | ISBN | Additional Links | ||
| Impact Factor | 19.791 | Times cited | 34 | Open Access |
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| Notes | Approved | Most recent IF: 19.791; 2014 IF: NA | |||
| Call Number | EMAT @ emat @ | Serial | 4541 | ||
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| Author | N. Gauquelin, D. G. Hawthorn, G. A. Sawatzky, R. X. Liang, D. A. Bonn, W. N. Hardy & G.A. Botton | ||||
| Title | Atomic scale real-space mapping of holes in YBa2Cu3O6+δ | Type | A1 Journal Article | ||
| Year | 2014 | Publication | Nature Communications | Abbreviated Journal | |
| Volume | 5 | Issue | Pages | 4275 | |
| Keywords | A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ; | ||||
| Abstract | The high-temperature superconductor YBa2Cu3O6+δ consists of two main structural units—a bilayer of CuO2 planes that are central to superconductivity and a CuO2+δ chain layer. Although the functional role of the planes and chains has long been established, most probes integrate over both, which makes it difficult to distinguish the contribution of each. Here we use electron energy loss spectroscopy to directly resolve the plane and chain contributions to the electronic structure in YBa2Cu3O6 and YBa2Cu3O7. We directly probe the charge transfer of holes from the chains to the planes as a function of oxygen content, and show that the change in orbital occupation of Cu is large in the chain layer but modest in CuO2 planes, with holes in the planes doped primarily into the O 2p states. These results provide direct insight into the local electronic structure and charge transfers in this important high-temperature superconductor. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000340615100002 | Publication Date | 2014-07-16 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | ISBN | Additional Links | |||
| Impact Factor | Times cited | 22 | Open Access |
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| Notes | Approved | Most recent IF: NA | |||
| Call Number | EMAT @ emat @ | Serial | 4542 | ||
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| Author | Shuhui Sun, Gaixia Zhang, Nicolas Gauquelin, Ning Chen, Jigang Zhou, Songlan Yang, Weifeng Chen, Xiangbo Meng, Dongsheng Geng, Mohammad N. Banis, Ruying Li, Siyu Ye, Shanna Knights, Gianluigi A. Botton, Tsun-Kong Sham & Xueliang Sun | ||||
| Title | Single-atom Catalysis Using Pt/Graphene Achieved through Atomic Layer Deposition | Type | A1 Journal Article | ||
| Year | 2013 | Publication | Scientific Reports | Abbreviated Journal | |
| Volume | 3 | Issue | Pages | 1775 | |
| Keywords | A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ; | ||||
| Abstract | Platinum-nanoparticle-based catalysts are widely used in many important chemical processes and automobile industries. Downsizing catalyst nanoparticles to single atoms is highly desirable to maximize their use efficiency, however, very challenging. Here we report a practical synthesis for isolated single Pt atoms anchored to graphene nanosheet using the atomic layer deposition (ALD) technique. ALD offers the capability of precise control of catalyst size span from single atom, subnanometer cluster to nanoparticle. The single-atom catalysts exhibit significantly improved catalytic activity (up to 10 times) over that of the state-of-the-art commercial Pt/C catalyst. X-ray absorption fine structure (XAFS) analyses reveal that the low-coordination and partially unoccupied densities of states of 5d orbital of Pt atoms are responsible for the excellent performance. This work is anticipated to form the basis for the exploration of a next generation of highly efficient single-atom catalysts for various applications. |
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000318334300004 | Publication Date | 2013-05-03 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | ISBN | Additional Links | |||
| Impact Factor | Times cited | 345 | Open Access |
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| Notes | Approved | Most recent IF: NA | |||
| Call Number | EMAT @ emat @ | Serial | 4543 | ||
| Permanent link to this record | |||||
| Author | N. Gauquelin, E. Benckiser, M. K. Kinyanjui, M. Wu, Y. Lu, G. Christiani, G. Logvenov, H.-U. Habermeier, U. Kaiser, B. Keimer, and G. A. Botton | ||||
| Title | Atomically resolved EELS mapping of the interfacial structure of epitaxially strained LaNiO3/LaAlO3 superlattices | Type | A1 Journal Article | ||
| Year | 2014 | Publication | Physical Review B | Abbreviated Journal | |
| Volume | 90 | Issue | Pages | 195140 | |
| Keywords | A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ; | ||||
| Abstract | The interfacial atomic structure of a metallic LaNiO3/LaAlO3 superlattice grown on a LaSrAlO4 substrate was investigated using a combination of atomically resolved electron energy loss spectroscopy (EELS) at the Al K, Al L2,3, Sr L2,3, Ni L2,3, La M4,5, and O K edges as well as hybridization mapping of selected features of the O K-edge fine structure.We observe an additional La1−xSrxAl1−yNiyO3 layer at the substrate-superlattice interface, possibly linked to diffusion of Al and Sr into the growing film or a surface reconstruction due to Sr segregation. The roughness of the LaNiO3/LaAlO3 interfaces is found to be on average around one pseudocubic unit cell. The O K-edge EELS spectra revealed reduced spectral weight of the prepeak derived from Ni-O hybridized states in the LaNiO3 layers. We rule out oxygen nonstoichiometry of the LaNiO3 layers and discuss changes in the Ni-O hybridization due to heterostructuring as possible origin. |
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| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000345467000003 | Publication Date | 2014-11-20 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | ISBN | Additional Links | |||
| Impact Factor | Times cited | 17 | Open Access |
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| Notes | Approved | Most recent IF: NA | |||
| Call Number | EMAT @ emat @ | Serial | 4544 | ||
| Permanent link to this record | |||||
| Author | M. K. Kinyanjui, N. Gauquelin, E. Benckiser, H. –U. Habermeier, B. Keimer, U. Kaiser and G.A. Botton | ||||
| Title | Local lattice distortion and anisotropic modulation in Epitaxially Strained LaNiO3/LaAlO3 hetero-structures | Type | A1 Journal Article | ||
| Year | 2014 | Publication | Applied Physics Letters | Abbreviated Journal | |
| Volume | 104 | Issue | Pages | 221909 | |
| Keywords | A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ; | ||||
| Abstract | Using a complementary combination of x-ray diffraction and atomically resolved imaging we investigated the lattice structure of epitaxial LaNiO3/LaAlO3 superlattices grown on a compressive-strain inducing LaSrAlO4 (001) substrate. A refinement of the structure obtained from the x-ray data revealed the monoclinic I 2/c 1 1 space group. The (Ni/Al)O6 octahedral rotation angle perpendicular to the superlattice plane is enhanced, and the one parallel to the plane is reduced with respect to the corresponding bulk values. High-angle annular dark field imaging was used to determine the lattice parameters within the superlattice unit cell. High-resolution electron microscopy images of the oxygen atoms are consistent with the x-ray results. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000337161700029 | Publication Date | 2014-06-07 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | ISBN | Additional Links | |||
| Impact Factor | Times cited | 22 | Open Access |
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| Notes | Approved | Most recent IF: NA | |||
| Call Number | EMAT @ emat @ | Serial | 4545 | ||
| Permanent link to this record | |||||
| Author | H. Zhang, N. Gauquelin, G.A. Botton and J.Y.T. Wei | ||||
| Title | Attenuation of superconductivity in manganite/cuprate heterostructures by epitaxially induced CuO intergrowths | Type | A1 Journal Article | ||
| Year | 2013 | Publication | Applied Physics Letters | Abbreviated Journal | |
| Volume | 103 | Issue | Pages | 052606 | |
| Keywords | A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ; | ||||
| Abstract | We examine the effect of CuO intergrowths on the superconductivity in epitaxial La 2/3 Ca 1/3 MnO 3 / YBa 2 Cu 3 O 7−δ La2/3Ca1/3MnO3/YBa2Cu3O7−δ (LCMO/YBCO) thin-film heterostructures. Scanning transmission electron microscopy on bilayer LCMO/YBCO thin films revealed double CuO-chain intergrowths which form regions with the 247 lattice structure in the YBCO layer. These nanoscale 247 regions do not appear in x-ray diffraction, but can physically account for the reduced critical temperature (Tc) of bilayer thin films relative to unilayer films with the same YBCO thickness, at least down to ∼25 nm. We attribute the CuO intergrowths to the bilayer heteroepitaxial mismatch and the Tc reduction to the generally lower Tc seen in bulk 247 samples. These epitaxially-induced CuO intergrowths provide a microstructural mechanism for the attenuation of superconductivity in LCMO/YBCO heterostructures. |
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| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000322723000063 | Publication Date | 2013-08-02 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | ISBN | Additional Links | |||
| Impact Factor | Times cited | 12 | Open Access |
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| Notes | Approved | Most recent IF: NA | |||
| Call Number | EMAT @ emat @ | Serial | 4546 | ||
| Permanent link to this record | |||||
| Author | L. Zhang, J. Kim, J. Zhang, F. Nan, N. Gauquelin, G.A. Botton, P. He, R. Bashyam, S. Knights | ||||
| Title | Ti4O7 supported Ru@Pt core–shell catalyst for CO-tolerance in PEM fuel cell hydrogen oxidation reaction | Type | A1 Journal Article | ||
| Year | 2013 | Publication | Applied Energy | Abbreviated Journal | |
| Volume | 103 | Issue | March 2013 | Pages | 507-513 |
| Keywords | A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ; | ||||
| Abstract | A new method is developed for synthesizing Ti4O7 supported Ru@Pt core–shell catalyst (Ru@Pt/Ti4O7) through pyrolysis followed by microwave irradiation. The purpose is to improve the Ru durability of PtRu from core–shell structure and strong bonding to Ti4O7 oxide. In this method, the first step is to co-reduce the mixture of ruthenium precursor and TiO2 in a H2 reducing atmosphere under heat-treatment to obtain a Ru core on Ti4O7 support, and the second step is to create a shell of platinum via microwave irradiation. Energy dispersive X-ray spectrometry, X-ray Diffraction, High-resolution Scanning Transmission Electron Microscopy with the high-angle annular dark-field method and Electron Energy-Loss Spectroscopy are used to demonstrate that this catalyst with larger particles has a core–shell structure with a Ru core and a Pt shell. Electrochemical measurements show Ru@Pt/Ti4O7 catalyst has a higher CO-tolerance capability than that of PtRu/C alloy catalyst. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000314669500048 | Publication Date | 2012-11-11 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | ISBN | Additional Links | |||
| Impact Factor | Times cited | 33 | Open Access |
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| Notes | Approved | Most recent IF: NA | |||
| Call Number | EMAT @ emat @ | Serial | 4547 | ||
| Permanent link to this record | |||||
| Author | Han, F.W.; Xu, W.; Li, L.L.; Zhang, C.; Dong, H.M.; Peeters, F.M. | ||||
| Title | Electronic and transport properties of n-type monolayer black phosphorus at low temperatures | Type | A1 Journal article | ||
| Year | 2017 | Publication | Physical review B | Abbreviated Journal | Phys Rev B |
| Volume | 95 | Issue | 95 | Pages | 115436 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | We present a detailed theoretical study of the electronic and transport properties of monolayer black phosphorus (BP). This study is motivated by recent experimental activities in investigating n-type few-layer BP systems. The electron density of states, the screening length, and the low-temperature electron mobility are calculated for monolayer BP (MLBP). In particular, the electron transport mobilities along the armchair and zigzag directions are examined on the basis of the momentum-balance equation derived from a semiclassical Boltzmann equation. The anisotropic electron mobilities in MLBP along different directions are demonstrated where the electron-impurity scattering is considered. Furthermore, we compare the results obtained from two electronic band structures of MLBP and find that the simplified model can describe quite rightly the electronic and transport properties of MLBP. This study is relevant to the application of few-layer BP based electronic systems as advanced electronic devices. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000399140700012 | Publication Date | 2017-03-27 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2469-9950 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.836 | Times cited | 12 | Open Access |
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| Notes | National Natural Science Foundation of China, 11574319 11304316 11304317 11604380 ; Ministry of Science and Technology of the People's Republic of China, 2011YQ130018 ; Chinese Academy of Sciences; | Approved | Most recent IF: 3.836 | ||
| Call Number | CMT @ cmt @ c:irua:142431 | Serial | 4564 | ||
| Permanent link to this record | |||||
| Author | Ghorbanfekr-Kalashami, H.; Vasu, K.S.; Nair, R.R.; Peeters, F.M.; Neek-Amal, M. | ||||
| Title | Dependence of the shape of graphene nanobubbles on trapped substance | Type | A1 Journal article | ||
| Year | 2017 | Publication | Nature communications | Abbreviated Journal | Nat Commun |
| Volume | 8 | Issue | 8 | Pages | 15844 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) | ||||
| Abstract | Van der Waals (vdW) interaction between two-dimensional crystals (2D) can trap substances in high pressurized (of order 1 GPa) on nanobubbles. Increasing the adhesion between the 2D crystals further enhances the pressure and can lead to a phase transition of the trapped material. We found that the shape of the nanobubble can depend critically on the properties of the trapped substance. In the absence of any residual strain in the top 2D crystal, flat nanobubbles can be formed by trapped long hydrocarbons (that is, hexadecane). For large nanobubbles with radius 130 nm, our atomic force microscopy measurements show nanobubbles filled with hydrocarbons (water) have a cylindrical symmetry (asymmetric) shape which is in good agreement with our molecular dynamics simulations. This study provides insights into the effects of the specific material and the vdW pressure on the microscopic details of graphene bubbles. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000403417500001 | Publication Date | 2017-06-16 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2041-1723 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 12.124 | Times cited | 44 | Open Access |
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| Notes | We acknowledge fruitful discussion with Irina Grigorieva and Andre K. Geim. This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem program, the Royal Society and the Engineering and Physical Sciences Research Council, UK (EP/K016946/1). M.N.-A. was supported by Iran National Science Foundation (INSF). | Approved | Most recent IF: 12.124 | ||
| Call Number | CMT @ cmt @ c:irua:144189 | Serial | 4580 | ||
| Permanent link to this record | |||||
| Author | Chirayath, V.A.; Callewaert, V.; Fairchild, A.J.; Chrysler, M.D.; Gladen, R.W.; Mcdonald, A.D.; Imam, S.K.; Shastry, K.; Koymen, A.R.; Saniz, R.; Barbiellini, B.; Rajeshwar, K.; Partoens, B.; Weiss, A.H. | ||||
| Title | Auger electron emission initiated by the creation of valence-band holes in graphene by positron annihilation | Type | A1 Journal article | ||
| Year | 2017 | Publication | Nature communications | Abbreviated Journal | Nat Commun |
| Volume | 8 | Issue | 8 | Pages | 16116 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) | ||||
| Abstract | Auger processes involving the filling of holes in the valence band are thought to make important contributions to the low-energy photoelectron and secondary electron spectrum from many solids. However, measurements of the energy spectrum and the efficiency with which electrons are emitted in this process remain elusive due to a large unrelated background resulting from primary beam-induced secondary electrons. Here, we report the direct measurement of the energy spectra of electrons emitted from single layer graphene as a result of the decay of deep holes in the valence band. These measurements were made possible by eliminating competing backgrounds by employing low-energy positrons (<1.25 eV) to create valence-band holes by annihilation. Our experimental results, supported by theoretical calculations, indicate that between 80 and 100% of the deep valence-band holes in graphene are filled via an Auger transition. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000405398200001 | Publication Date | 2017-07-13 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2041-1723 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 12.124 | Times cited | 20 | Open Access |
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| Notes | The experiments in this work were supported by the grant NSF DMR 1508719. A.H.W and A.R.K. gratefully acknowledge support for the building of advanced positron beam through the grant NSF DMR MRI 1338130. V.C. and R.S. were supported by the FWO-Vlaanderen through Project No. G. 0224.14N. The computational resources and services used in this work were in part provided by the VSC (Flemish Supercomputer Center) and the HPC infrastructure of the University of Antwerp (CalcUA), both funded by the Hercules Foundation and the Flemish Government (EWI Department). The work at Northeastern University was supported by the US Department of Energy (DOE), Office of Science, Basic Energy Sciences grant number DE-FG02-07ER46352 (core research), and benefited from Northeastern University’s Advanced Scientific Computation Center (ASCC), the NERSC supercomputing center through DOE grant number DE-AC02-05CH11231, and support (applications to layered materials) from the DOE EFRC: Center for the Computational Design of Functional Layered Materials (CCDM) under DE-SC0012575. | Approved | Most recent IF: 12.124 | ||
| Call Number | CMT @ cmt @ c:irua:144625 | Serial | 4627 | ||
| Permanent link to this record | |||||
| Author | Bruggeman, P.J.; Kushner, M.J.; Locke, B.R.; Gardeniers, J.G.E.; Graham, W.G.; Graves, D.B.; Hofman-Caris, R.C.H.M.; Maric, D.; Reid, J.P.; Ceriani, E.; Fernandez Rivas, D.; Foster, J.E.; Garrick, S.C.; Gorbanev, Y.; Hamaguchi, S.; Iza, F.; Jablonowski, H.; Klimova, E.; Kolb, J.; Krcma, F.; Lukes, P.; Machala, Z.; Marinov, I.; Mariotti, D.; Mededovic Thagard, S.; Minakata, D.; Neyts, E.C.; Pawlat, J.; Petrovic, Z.L.; Pflieger, R.; Reuter, S.; Schram, D.C.; Schröter, S.; Shiraiwa, M.; Tarabová, B.; Tsai, P.A.; Verlet, J.R.R.; von Woedtke, T.; Wilson, K.R.; Yasui, K.; Zvereva, G. | ||||
| Title | Plasma–liquid interactions: a review and roadmap | Type | A1 Journal article | ||
| Year | 2016 | Publication | Plasma sources science and technology | Abbreviated Journal | Plasma Sources Sci T |
| Volume | 25 | Issue | 5 | Pages | 053002 |
| Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | Plasma–liquid interactions represent a growing interdisciplinary area of research involving plasma science, fluid dynamics, heat and mass transfer, photolysis, multiphase chemistry and aerosol science. This review provides an assessment of the state-of-the-art of this multidisciplinary area and identifies the key research challenges. The developments in diagnostics, modeling and further extensions of cross section and reaction rate databases that are necessary to address these challenges are discussed. The review focusses on nonequilibrium plasmas. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000384715400001 | Publication Date | 2016-09-30 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1361-6595 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.302 | Times cited | 460 | Open Access |
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| Notes | This manuscript originated from discussions at the Lorentz Center Workshop ‘Gas/Plasma–Liquid Interface: Transport, Chemistry and Fundamental Data’ that took place at the Lorentz Center, Leiden University in the Netherlands from August 4, through August 8, 2014, and follow-up discussions since the workshop. All authors acknowledge the support of the Lorentz Center, the COST action TD1208 (Electrical Discharges with Liquids for Future Applications) and the Royal Dutch Academy of Sciences for their financial support. PJB, MJK, DBG and JEF acknowledge the support of the ‘Center on Control of Plasma Kinetics’ of the United States Department of Energy Office of Fusion Energy Science (DE-SC0001319). In addition, PJB and BRL acknowledge the support of the National Science Foundation (PHY 1500135 and CBET 1236225, respectively). In addition the enormous help of Mrs. Victoria Piorek (University of Minnesota) in the formatting of the final document including the references is gratefully acknowledged. | Approved | Most recent IF: 3.302 | ||
| Call Number | PLASMANT @ plasmant @ c:irua:144654 | Serial | 4628 | ||
| Permanent link to this record | |||||
| Author | Hafiz, H.; Suzuki, K.; Barbiellini, B.; Orikasa, Y.; Callewaert, V.; Kaprzyk, S.; Itou, M.; Yamamoto, K.; Yamada, R.; Uchimoto, Y.; Sakurai, Y.; Sakurai, H.; Bansil, A. | ||||
| Title | Visualizing redox orbitals and their potentials in advanced lithium-ion battery materials using high-resolution x-ray Compton scattering | Type | A1 Journal article | ||
| Year | 2017 | Publication | Science Advances | Abbreviated Journal | Sci. Adv. |
| Volume | 3 | Issue | 8 | Pages | e1700971 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) | ||||
| Abstract | Reduction-oxidation (redox) reactions are the key processes that underlie the batteries powering smartphones, laptops, and electric cars. A redox process involves transfer of electrons between two species. For example, in a lithium-ion battery, current is generated when conduction electrons from the lithium anode are transferred to the redox orbitals of the cathode material. The ability to visualize or image the redox orbitals and how these orbitals evolve under lithiation and delithiation processes is thus of great fundamental and practical interest for understanding the workings of battery materials. We show that inelastic scattering spectroscopy using high-energy x-ray photons (Compton scattering) can yield faithful momentum space images of the redox orbitals by considering lithium iron phosphate (LiFePO4 or LFP) as an exemplar cathode battery material. Our analysis reveals a new link between voltage and the localization of transition metal 3d orbitals and provides insight into the puzzling mechanism of potential shift and how it is connected to the modification of the bond between the transition metal and oxygen atoms. Our study thus opens a novel spectroscopic pathway for improving the performance of battery materials. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000411589900055 | Publication Date | 2017-08-24 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2375-2548 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | Times cited | 9 | Open Access |
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| Notes | The work at Northeastern University was supported by the U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences (grant no. DE-FG02-07ER46352) and benefited from the Northeastern University’s Advanced Scientific Computation Center and the National Energy Research Scientific Computing Center supercomputing center through DOE grant no. DEAC02-05CH11231. The work at Gunma University, Japan Synchrotron Radiation Research Institute (JASRI), and Kyoto University was supported by the Japan Science and Technology Agency. K.S. was supported by Grant-in-Aid for Young Scientists (B) from MEXT KAKENHI under grant nos. 24750065 and 15K17873. The Compton scattering experiments were performed with the approval of JASRI (proposal no. 2014A1289). V.C. was supported by the FWO-Vlaanderen through project no. G. 1161 0224.14N. | Approved | Most recent IF: NA | ||
| Call Number | CMT @ cmt @c:irua:145034 | Serial | 4637 | ||
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| Author | Vagov, A.; Shanenko, A.A.; Milošević, M.V.; Axt, V.M.; Vinokur, V.M.; Aguiar, J.A.; Peeters, F.M. | ||||
| Title | Superconductivity between standard types: Multiband versus single-band materials | Type | A1 Journal article | ||
| Year | 2016 | Publication | Physical review B | Abbreviated Journal | Phys Rev B |
| Volume | 93 | Issue | 93 | Pages | 174503 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | |||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000375527500001 | Publication Date | 2016-05-06 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2469-9950 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.836 | Times cited | 37 | Open Access |
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| Notes | Conselho Nacional de Desenvolvimento Científico e Tecnológico, 307552/2012-8 141911/2012-3 ; Fundação de Amparo à Ciência e Tecnologia do Estado de Pernambuco, APQ-0589-1.05/08 ; U.S. Department of Energy; | Approved | Most recent IF: 3.836 | ||
| Call Number | CMT @ cmt @ c:irua:141732 | Serial | 4480 | ||
| Permanent link to this record | |||||
| Author | Leliaert, J.; Mulkers, J.; De Clercq, J.; Coene, A.; Dvornik, M.; Van Waeyenberge, B. | ||||
| Title | Adaptively time stepping the stochastic Landau-Lifshitz-Gilbert equation at nonzero temperature: Implementation and validation in MuMax3 | Type | A1 Journal article | ||
| Year | 2017 | Publication | AIP advances | Abbreviated Journal | Aip Adv |
| Volume | 7 | Issue | 12 | Pages | 125010 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) | ||||
| Abstract | Thermal fluctuations play an increasingly important role in micromagnetic research relevant for various biomedical and other technological applications. Until now, it was deemed necessary to use a time stepping algorithm with a fixed time step in order to perform micromagnetic simulations at nonzero temperatures. However, Berkov and Gorn have shown in [D. Berkov and N. Gorn, J. Phys.: Condens. Matter,14, L281, 2002] that the drift term which generally appears when solving stochastic differential equations can only influence the length of the magnetization. This quantity is however fixed in the case of the stochastic Landau-Lifshitz-Gilbert equation. In this paper, we exploit this fact to straightforwardly extend existing high order solvers with an adaptive time stepping algorithm. We implemented the presented methods in the freely available GPU-accelerated micromagnetic software package MuMax3 and used it to extensively validate the presented methods. Next to the advantage of having control over the error tolerance, we report a twenty fold speedup without a loss of accuracy, when using the presented methods as compared to the hereto best practice of using Heun’s solver with a small fixed time step. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000418492500010 | Publication Date | 2017-12-11 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2158-3226 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 1.568 | Times cited | 13 | Open Access |
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| Notes | This work was supported by the Fonds Wetenschappelijk Onderzoek (FWO-Vlaanderen) through Project No. G098917N and a postdoctoral fellowship (A.C.). J. L. is supported by the Ghent University Special Research Fund (BOF postdoctoral fellowship). We gratefully acknowl- edge the support of NVIDIA Corporation with the donation of the Titan Xp GPU used for this research. | Approved | Most recent IF: 1.568 | ||
| Call Number | CMT @ cmt @c:irua:147860 | Serial | 4799 | ||
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| Author | Mulkers, J.; Van Waeyenberge, B.; Milošević, M.V. | ||||
| Title | Tunable Snell's law for spin waves in heterochiral magnetic films | Type | A1 Journal article | ||
| Year | 2018 | Publication | Physical review B | Abbreviated Journal | Phys Rev B |
| Volume | 97 | Issue | 10 | Pages | 104422 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | Thin ferromagnetic films with an interfacially induced DMI exhibit nontrivial asymmetric dispersion relations that lead to unique and useful magnonic properties. Here we derive an analytical expression for the magnon propagation angle within the micromagnetic framework and show how the dispersion relation can be approximated with a comprehensible geometrical interpretation in the k space of the propagation of spin waves. We further explore the refraction of spin waves at DMI interfaces in heterochiral magnetic films, after deriving a generalized Snell's law tunable by an in-plane magnetic field, that yields analytical expressions for critical incident angles. The found asymmetric Brewster angles at interfaces of regions with different DMI strengths, adjustable by magnetic field, support the conclusion that heterochiral ferromagnetic structures are an ideal platform for versatile spin-wave guides. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000428238600006 | Publication Date | 2018-03-26 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2469-9950 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.836 | Times cited | 20 | Open Access |
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| Notes | This work was supported by the Research Foundation- Flanders (FWO-Vlaanderen) through Project No. G098917N. | Approved | Most recent IF: 3.836 | ||
| Call Number | CMT @ cmt @c:irua:150118UA @ admin @ c:irua:150118 | Serial | 4915 | ||
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| Author | Cavalcante, L.S.R.; Chaves, A.; Van Duppen, B.; Peeters, F.M.; Reichman, D.R. | ||||
| Title | Electrostatics of electron-hole interactions in van der Waals heterostructures | Type | A1 Journal article | ||
| Year | 2018 | Publication | Physical review B | Abbreviated Journal | Phys Rev B |
| Volume | 97 | Issue | 12 | Pages | 125427 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | The role of dielectric screening of electron-hole interaction in van der Waals heterostructures is theoretically investigated. A comparison between models available in the literature for describing these interactions is made and the limitations of these approaches are discussed. A simple numerical solution of Poisson's equation for a stack of dielectric slabs based on a transfer matrix method is developed, enabling the calculation of the electron-hole interaction potential at very low computational cost and with reasonable accuracy. Using different potential models, direct and indirect exciton binding energies in these systems are calculated within Wannier-Mott theory, and a comparison of theoretical results with recent experiments on excitons in two-dimensional materials is discussed. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000427983700007 | Publication Date | 2018-03-21 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2469-9950 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.836 | Times cited | 22 | Open Access |
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| Notes | Discussions with A. Chernikov and A. Raja are gratefully acknowledged. This work has been financially supported by CNPq, through the PRONEX/FUNCAP, PQ, and Science Without Borders programs, and the FWO-CNPq bilateral program between Brazil and Flanders. B.V.D. acknowledges support from the Flemish Science Foundation (FWO-Vl) through a postdoctoral fellowship. D.R.R. was supported by NSF CHE-1464802. | Approved | Most recent IF: 3.836 | ||
| Call Number | CMT @ cmt @c:irua:150835UA @ admin @ c:irua:150835 | Serial | 4953 | ||
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| Author | Shi, W.; Callewaert, V.; Barbiellini, B.; Saniz, R.; Butterling, M.; Egger, W.; Dickmann, M.; Hugenschmidt, C.; Shakeri, B.; Meulenberg, R. W.; Brück, E.; Partoens, B.; Bansil, A.; Eijt, S.W. H. | ||||
| Title | Nature of the Positron State in CdSe Quantum Dots | Type | A1 Journal article | ||
| Year | 2018 | Publication | Physical review letters | Abbreviated Journal | Phys Rev Lett |
| Volume | 121 | Issue | 5 | Pages | 057401 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | Previous studies have shown that positron-annihilation spectroscopy is a highly sensitive probe of the electronic structure and surface composition of ligand-capped semiconductor quantum dots (QDs) embedded in thin films. The nature of the associated positron state, however, whether the positron is confined inside the QDs or localized at their surfaces, has so far remained unresolved. Our positron-annihilation lifetime spectroscopy studies of CdSe QDs reveal the presence of a strong lifetime component in the narrow range of 358–371 ps, indicating abundant trapping and annihilation of positrons at the surfaces of the QDs. Furthermore, our ab initio calculations of the positron wave function and lifetime employing a recent formulation of the weighted density approximation demonstrate the presence of a positron surface state and predict positron lifetimes close to experimental values. Our study thus resolves the long-standing question regarding the nature of the positron state in semiconductor QDs and opens the way to extract quantitative information on surface composition and ligand-surface interactions of colloidal semiconductor QDs through highly sensitive positron-annihilation techniques. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000440635300012 | Publication Date | 2018-08-02 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0031-9007 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 8.462 | Times cited | 6 | Open Access |
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| Notes | The work at Delft University of Technology was supported by the China Scholarship Council (CSC) grant of W. S. We acknowledge financial support for this research from ADEM, A green Deal in Energy Materials of the Ministry of Economic Affairs of The Netherlands. The PALS study is based upon experiments performed at the PLEPS instrument of the NEPOMUC facility at the Heinz Maier-Leibnitz Zentrum (MLZ), Garching, Germany, and was supported by the European Commission under the 7th Framework Program, Key Action: Strengthening the European Research Area, Research Infrastructures, Contract No. 226507, NMI3. The work at the University of Maine was supported by the National Science Foundation under Grant No. DMR-1206940. V. C. and R. S. were supported by the FWO-Vlaanderen through Project No. G. 0224.14N. Computational resources and services used in this work were in part provided by the VSC (Flemish Supercomputer Center) and the HPC infrastructure of the University of Antwerp (CalcUA), both funded by the FWO-Vlaanderen and the Flemish Government (EWI Department). The work at Northeastern University was supported by the U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences Grant No. DE-FG02-07ER46352 (core research), and benefited from Northeastern University’s Advanced Scientific Computation Center (ASCC), the National Energy Research Scientific Computing Center (NERSC) through DOE Grant No. DE-AC02-05CH11231, and support (functionals for modeling positron spectros- copies of layered materials) from the DOE EFRC: Center for the Computational Design of Functional Layered Materials (CCDM) under DE-SC0012575. | Approved | Most recent IF: 8.462 | ||
| Call Number | CMT @ cmt @c:irua:152999UA @ admin @ c:irua:152999 | Serial | 5009 | ||
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