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Records |
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Author |
Janyavula, S.; Lawson, N.; Çakir, D.; Beck, P.; Ramp, L.C.; Burgess, J.O. |
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Title |
The wear of polished and glazed zirconia against enamel |
Type |
A1 Journal article |
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Year |
2013 |
Publication |
Journal Of Prosthetic Dentistry |
Abbreviated Journal |
J Prosthet Dent |
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Volume |
109 |
Issue |
1 |
Pages |
22-29 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Statement of problem. The wear of tooth structure opposing anatomically contoured zirconia crowns requires further investigation. Purpose. The purpose of this in vitro study was to measure the roughness and wear of polished, glazed, and polished then reglazed zirconia against human enamel antagonists and compare the measurements to those of veneering porcelain and natural enamel. Material and methods. Zirconia specimens were divided into polished, glazed, and polished then reglazed groups (n=8). A veneering porcelain (Ceramco3) and enamel were used as controls. The surface roughness of all pretest specimens was measured. Wear testing was performed in the newly designed Alabama wear testing device. The mesiobuccal cusps of extracted molars were standardized and used as antagonists. Three-dimensional (3D) scans of the specimens and antagonists were obtained at baseline and after 200 000 and 400 000 cycles with a profilometer. The baseline scans were superimposed on the posttesting scans to determine volumetric wear. Data were analyzed with a 1-way ANOVA and Tukey Honestly Significant Difference (HSD) post hoc tests (alpha=.05) Results. Surface roughness ranked in order of least rough to roughest was: polished zirconia, glazed zirconia, polished then reglazed zirconia, veneering porcelain, and enamel. For ceramic, there was no measureable loss on polished zirconia, moderate loss on the surface of enamel, and significant loss on glazed and polished then reglazed zirconia. The highest ceramic wear was exhibited by the veneering ceramic. For enamel antagonists, polished zirconia caused the least wear, and enamel caused moderate wear. Glazed and polished then reglazed zirconia showed significant opposing enamel wear, and veneering porcelain demonstrated the most. Conclusions. Within the limitations of the study, polished zirconia is wear-friendly to the opposing tooth. Glazed zirconia causes more material and antagonist wear than polished zirconia. The surface roughness of the zirconia aided in predicting the wear of the opposing dentition. (J Prosthet Dent 2013;109:22-29) |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
St. Louis, Mo. |
Editor |
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Language |
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Wos |
000313934900004 |
Publication Date |
2013-01-15 |
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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 |
0022-3913 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.095 |
Times cited |
89 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 2.095; 2013 IF: 1.419 |
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Call Number |
UA @ lucian @ c:irua:128327 |
Serial |
4612 |
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Permanent link to this record |
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Author |
Van Eynde, E.; Hu, Z.-Y.; Tytgat, T.; Verbruggen, S.W.; Watte, J.; Van Tendeloo, G.; Van Driessche, I.; Blust, R.; Lenaerts, S. |
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Title |
Diatom silica-titania photocatalysts for air purification by bio-accumulation of different titanium sources |
Type |
A1 Journal article |
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Year |
2016 |
Publication |
Environmental science : nano |
Abbreviated Journal |
Environ Sci-Nano |
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Volume |
3 |
Issue |
5 |
Pages |
1052-1061 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
We present a green, biological production route for silica-titania photocatalysts using diatom microalgae. Diatoms are single-celled, eukaryotic microalgae (2-2000 mu m) that self-assemble soluble silicon (Si(OH)(4)) into intricate silica cell walls, called frustules. These diatom frustules are formed under ambient conditions and consist of hydrated silica with specific 3D morphologies and micro-meso or macroporosity. A remarkable characteristic of diatoms is their ability to bioaccumulate soluble titanium from cell culture medium and incorporate them into their nanostructured silica cell wall. Controlled cultivation of the diatom Pinnularia sp. on soluble titanium in a batch process resulted in the biological immobilisation of titanium dioxide in the porous 3D architecture of the frustules. Six different titanium sources are tested. The silica-titania frustules were isolated by treating the harvested Pinnularia cells with nitric acid (65%) or by high temperature treatment. Thermal annealing converted the amorphous titania into crystalline titania. The produced silica-titania material is evaluated towards photocatalytic activity for acetaldehyde (C2H4O) abatement. Frustules cultivated with TiBaldH showed the highest photocatalytic performance. Comparison of the photocatalytic activity with P25 reveals that P25 has a 4 fold higher photocatalytic activity, but when photocatalytic activity is normalized for titania content, the frustules show double activity. Further material characterization (morphology, crystallinity, surface area and elemental distribution) of the TiBaldH silica-titania frustules provides additional insight into their structure-activity relationship. These natural biosilicatitania materials have excellent properties for photocatalytic purposes, including high surface area (108 m(2) g(-1)) and good porosity, and show reliable immobilization of TiO2 in the ordered structure of the diatom frustule. |
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Corporate Author |
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Thesis |
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Publisher |
Royal Society of Chemistry |
Place of Publication |
Cambridge |
Editor |
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Language |
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Wos |
000385257900011 |
Publication Date |
2016-07-21 |
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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 |
2051-8153; 2051-8161 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
6.047 |
Times cited |
7 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 6.047 |
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Call Number |
UA @ lucian @ c:irua:144751 |
Serial |
4644 |
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Permanent link to this record |
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Author |
Zografos, O.; Dutta, S.; Manfrini, M.; Vaysset, A.; Sorée, B.; Naeemi, A.; Raghavan, P.; Lauwereins, R.; Radu, I.P. |
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Title |
Non-volatile spin wave majority gate at the nanoscale |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
AIP advances
T2 – 61st Annual Conference on Magnetism and Magnetic Materials (MMM), OCT 31-NOV 04, 2016, New Orleans, LA |
Abbreviated Journal |
Aip Adv |
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Volume |
7 |
Issue |
5 |
Pages |
056020 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
A spin wave majority fork-like structure with feature size of 40 nm, is presented and investigated, through micromagnetic simulations. The structure consists of three merging out-of-plane magnetization spin wave buses and four magneto-electric cells serving as three inputs and an output. The information of the logic signals is encoded in the phase of the transmitted spin waves and subsequently stored as direction of magnetization of the magneto-electric cells upon detection. The minimum dimensions of the structure that produce an operational majority gate are identified. For all input combinations, the detection scheme employed manages to capture the majority phase result of the spin wave interference and ignore all reflection effects induced by the geometry of the structure. (C) 2017 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/). |
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Corporate Author |
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Thesis |
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Publisher |
Amer inst physics |
Place of Publication |
Melville |
Editor |
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Language |
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Wos |
000402797100177 |
Publication Date |
2017-02-06 |
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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 |
2158-3226 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.568 |
Times cited |
13 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 1.568 |
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Call Number |
UA @ lucian @ c:irua:144288 |
Serial |
4673 |
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Permanent link to this record |
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Author |
Berdiyorov, G.R.; Mortazavi, B.; Ahzi, S.; Peeters, F.M.; Khraisheh, M.K. |
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Title |
Effect of straining graphene on nanopore creation using Si cluster bombardment: A reactive atomistic investigation |
Type |
A1 Journal article |
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Year |
2016 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
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Volume |
120 |
Issue |
120 |
Pages |
225108 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Graphene nanosheets have recently received a revival of interest as a new class of ultrathin, high-flux, and energy-efficient sieving membranes because of their unique two-dimensional and atomically thin structure, good flexibility, and outstanding mechanical properties. However, for practical applications of graphene for advanced water purification and desalination technologies, the creation of well controlled, high-density, and subnanometer diameter pores becomes a key factor. Here, we conduct reactive force-field molecular dynamics simulations to study the effect of external strain on nanopore creation in the suspended graphene by bombardment with Si clusters. Depending on the size and energy of the clusters, different kinds of topography were observed in the graphene sheet. In all the considered conditions, tensile strain results in the creation of nanopores with regular shape and smooth edges. On the contrary, compressive strain increases the elastic response of graphene to irradiation that leads to the formation of net-like defective structures with predominantly carbon atom chains. Our findings show the possibility of creating controlled nanopores in strained graphene by bombardment with Si clusters. Published by AIP Publishing. |
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Corporate Author |
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Thesis |
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Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000391535900022 |
Publication Date |
2016-12-15 |
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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 |
0021-8979; 1089-7550 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.068 |
Times cited |
10 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 2.068 |
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Call Number |
UA @ lucian @ c:irua:141451 |
Serial |
4554 |
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Permanent link to this record |
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Author |
Longo, R.; Ferrarotti, M.; Garcia Sánchez, C.; Derudi, M.; Parente, A. |
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Title |
Advanced turbulence models and boundary conditions for flows around different configurations of ground-mounted buildings |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Journal of wind engineering and industrial aerodynamics |
Abbreviated Journal |
J Wind Eng Ind Aerod |
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Volume |
167 |
Issue |
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Pages |
160-182 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
When dealing with Atmospheric Boundary Layer (ABL) simulations, commercial computational fluid dynamics (CFD) acquires a strategic resonance. Thanks to its good compromise between accuracy of results and calculation time, RANS still represents a valid alternative to more resource-demanding methods. However, focusing on the models' performances in urban studies, LES generally outmatches RANS results, even if the former is at least one order of magnitude more expensive. Consequently, the present work aims to propose a variety of approaches meant to solve some of the major problems linked to RANS simulations and to further improve its accuracy in typical urban contexts. All of these models are capable of switching from an undisturbed flux formulation to a disturbed one through a local deviation or a marker function. For undisturbed flows, a comprehensive approach is adopted, solving the issue of the erroneous stream-wise gradients affecting the turbulent profiles. Around obstacles, Non-Linear Eddy-Viscosity closures are adopted, due to their prominent capability in capturing the anisotropy of turbulence. The purpose of this work is then to propose a new Building Influence Area concept and to offer more affordable alternatives to LES simulations without sacrificing a good grade of accuracy. |
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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 |
Amsterdam |
Editor |
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Language |
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Wos |
000405766600013 |
Publication Date |
2017-05-02 |
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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 |
0167-6105 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.049 |
Times cited |
9 |
Open Access |
Not_Open_Access |
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Notes |
; ; |
Approved |
Most recent IF: 2.049 |
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Call Number |
UA @ lucian @ c:irua:145191 |
Serial |
4713 |
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Permanent link to this record |
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Author |
Magnus, W.; Lemmens, L.; Brosens, F. |
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Title |
Quantum canonical ensemble : a projection operator approach |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Physica: A : theoretical and statistical physics |
Abbreviated Journal |
Physica A |
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Volume |
482 |
Issue |
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Pages |
1-13 |
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Keywords |
A1 Journal article; Theory of quantum systems and complex systems; Condensed Matter Theory (CMT) |
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Abstract |
Knowing the exact number of particles N, and taking this knowledge into account, the quantum canonical ensemble imposes a constraint on the occupation number operators. The constraint particularly hampers the systematic calculation of the partition function and any relevant thermodynamic expectation value for arbitrary but fixed N. On the other hand, fixing only the average number of particles, one may remove the above constraint and simply factorize the traces in Fock space into traces over single-particle states. As is well known, that would be the strategy of the grand-canonical ensemble which, however, comes with an additional Lagrange multiplier to impose the average number of particles. The appearance of this multiplier can be avoided by invoking a projection operator that enables a constraint-free computation of the partition function and its derived quantities in the canonical ensemble, at the price of an angular or contour integration. Introduced in the recent past to handle various issues related to particle-number projected statistics, the projection operator approach proves beneficial to a wide variety of problems in condensed matter physics for which the canonical ensemble offers a natural and appropriate environment. In this light, we present a systematic treatment of the canonical ensemble that embeds the projection operator into the formalism of second quantization while explicitly fixing N, the very number of particles rather than the average. Being applicable to both bosonic and fermionic systems in arbitrary dimensions, transparent integral representations are provided for the partition function Z(N) and the Helmholtz free energy F-N as well as for two- and four-point correlation functions. The chemical potential is not a Lagrange multiplier regulating the average particle number but can be extracted from FN+1 – F-N, as illustrated for a two-dimensional fermion gas. (C) 2017 Elsevier B.V. All rights reserved. |
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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 |
Amsterdam |
Editor |
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Language |
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Wos |
000405885500001 |
Publication Date |
2017-04-20 |
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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 |
0378-4371 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.243 |
Times cited |
1 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 2.243 |
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Call Number |
UA @ lucian @ c:irua:145145 |
Serial |
4722 |
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Permanent link to this record |
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Author |
Saberi-Pouya, S.; Vazifehshenas, T.; Salavati-fard, T.; Farmanbar, M. |
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Title |
Anisotropic hybrid excitation modes in monolayer and double-layer phosphorene on polar substrates |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
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Volume |
96 |
Issue |
11 |
Pages |
115402 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We investigate the anisotropic hybrid surface optical (SO) phonon-plasmon dispersion relations in monolayer and double-layer phosphorene systems located on the polar substrates, such as SiO2, h-BN, and Al2O3. We calculate these hybrid modes by using the dynamical dielectric function in the random phase approximation in which the electron-electron interaction and long-range electric field generated by the substrate SO phonons via Frohlich interaction are taken into account. In the long-wavelength limit, we obtain some analytical expressions for the hybrid SO phonon-plasmon dispersion relations which agree with those obtained from the loss function. Our results indicate a strong anisotropy in SO phonon-plasmon modes, which are stronger along the light-mass direction in our heterostructures. Furthermore, we find that the type of substrate has a significant effect on the dispersion relations of the coupled modes. Importantly, the hybrid excitations are apparently sensitive to the misalignment and separation between layers in double-layer phosphorene. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
American Physical Society |
Place of Publication |
New York, N.Y |
Editor |
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Language |
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Wos |
000408826200004 |
Publication Date |
2017-09-01 |
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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 |
2469-9969; 2469-9950 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
6 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 3.836 |
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Call Number |
UA @ lucian @ c:irua:145665 |
Serial |
4737 |
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Permanent link to this record |
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Author |
Zebrowski, D.P.; Peeters, F.M.; Szafran, B. |
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Title |
Double quantum dots defined in bilayer graphene |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
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Volume |
96 |
Issue |
3 |
Pages |
035434 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Artificial molecular states of double quantum dots defined in bilayer graphene are studied with the atomistic tight-binding method and its low-energy continuum approximation. We indicate that the extended electron wave functions have opposite parities on sublattices of the layers and that the ground-state wave-function components change from bonding to antibonding with the interdot distance. In the weak-coupling limit, the one most relevant for quantum dots defined electrostatically, the signatures of the interdot coupling include, for the two-electron ground state, formation of states with symmetric or antisymmetric spatial wave functions split by the exchange energy. In the high-energy part of the spectrum the states with both electrons in the same dot are found with the splitting of energy levels corresponding to simultaneous tunneling of the electron pair from one dot to the other. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
American Physical Society |
Place of Publication |
New York, N.Y |
Editor |
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Language |
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Wos |
000406284200005 |
Publication Date |
2017-07-26 |
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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 |
2469-9969; 2469-9950 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
6 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 3.836 |
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Call Number |
UA @ lucian @ c:irua:145758 |
Serial |
4739 |
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Permanent link to this record |
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Author |
Saberi-Pouya, S.; Vazifehshenas, T.; Salavati-Fard, T.; Farmanbar, M.; Peeters, F.M. |
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Title |
Strong anisotropic optical conductivity in two-dimensional puckered structures : the role of the Rashba effect |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
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Volume |
96 |
Issue |
7 |
Pages |
075411 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
within the Kubo formalism. We show that the anisotropic Rashba effect caused by an external field significantly changes the magnitude of the spin splitting. Furthermore, we obtain an analytical expression for the longitudinal optical conductivity associated with interband transitions as a function of the frequency for arbitrary polarization angle. We find that the diagonal components of the optical conductivity tensor are direction dependent and the optical absorption spectrum exhibits a strongly anisotropic absorption window. The height and width of this absorption window are very sensitive to the anisotropy of the system. While the height of absorption peak increases with increasing effective mass anisotropy ratio, the peak intensity is larger when the light polarization is along the armchair direction. Moreover, the absorption peak width becomes broader as the density-of-states mass or Rashba interaction is enhanced. These features in the optical absorption spectrum can be used to determine parameters relevant for spintronics. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
American Physical Society |
Place of Publication |
New York, N.Y |
Editor |
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Language |
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Wos |
000407097100005 |
Publication Date |
2017-08-09 |
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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 |
2469-9969; 2469-9950 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
16 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 3.836 |
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Call Number |
UA @ lucian @ c:irua:145725 |
Serial |
4752 |
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Permanent link to this record |
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Author |
Cautaerts, N.; Delville, R.; Dietz, W.; Verwerft, M. |
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Title |
Thermal creep properties of Ti-stabilized DIN 1.4970 (15-15Ti) austenitic stainless steel pressurized cladding tubes |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Journal of nuclear materials |
Abbreviated Journal |
J Nucl Mater |
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Volume |
493 |
Issue |
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Pages |
154-167 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
This paper presents a large database of thermal creep data from pressurized unirradiated DIN 1.4970 Ti-stabilized austenitic stainless steel (i.e. EN 1515CrNiMoTiB or “15-15Ti”) cladding tubes from more than 1000 bi-axial creep tests conducted during the fast reactor R&D program of the DeBeNe (Deutschland-Belgium- Netherlands) consortium between the 1960's to the late 1980's. The data comprises creep rate and time-to-rupture between 600 and 750 degrees C and a large range of stresses. The data spans tests on material from around 70 different heats and 30 different melts. Around one fourth of the data was obtained from cold worked material, the rest was obtained on cold worked + aged (800 degrees C, 2 h) material. The data are graphically presented in log-log graphs. The creep rate data is fit with a sinh correlation, the time to rupture data is fit with a modified exponential function through the Larson-Miller parameter. Local equivalent parameters to Norton's law are calculated and compared to literature values for these types of steels and related to possible creep mechanisms. Some time to rupture data above 950 degrees C is compared to literature dynamic recrystallization data. Time to rupture data between 600 and 750 degrees C is also compared to literature data from 316 steel. Time to rupture was correlated directly to creep rate with the Monkman-Grant relationship at different temperatures. (C) 2017 Elsevier B.V. All rights reserved. |
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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 |
Amsterdam |
Editor |
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Language |
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Wos |
000408044000018 |
Publication Date |
2017-06-11 |
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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 |
0022-3115 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.048 |
Times cited |
5 |
Open Access |
OpenAccess |
|
|
Notes |
; ; |
Approved |
Most recent IF: 2.048 |
|
|
Call Number |
UA @ lucian @ c:irua:145686 |
Serial |
4753 |
|
Permanent link to this record |
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Author |
Rezaei, M.; Sisakht, E.T.; Fazileh, F.; Aslani, Z.; Peeters, F.M. |
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|
Title |
Tight-binding model investigation of the biaxial strain induced topological phase transition in GeCH3 |
Type |
A1 Journal article |
|
Year |
2017 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
|
|
Volume |
96 |
Issue |
8 |
Pages |
085441 |
|
|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
|
Abstract |
We propose a tight-binding (TB) model, that includes spin-orbit coupling (SOC), to describe the electronic properties of methyl-substituted germanane (GeCH3). This model gives an electronic spectrum in agreement with first principle results close to the Fermi level. Using the Z(2) formalism, we show that a topological phase transition from a normal insulator (NI) to a quantum spin Hall (QSH) phase occurs at 11.6% biaxial tensile strain. The sensitivity of the electronic properties of this system on strain, in particular its transition to the topological insulating phase, makes it very attractive for applications in strain sensors and other microelectronic applications. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
American Physical Society |
Place of Publication |
New York, N.Y |
Editor |
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Language |
|
Wos |
000408570800004 |
Publication Date |
2017-08-29 |
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|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
2469-9969; 2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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|
Impact Factor |
3.836 |
Times cited |
10 |
Open Access |
|
|
|
Notes |
; ; |
Approved |
Most recent IF: 3.836 |
|
|
Call Number |
UA @ lucian @ c:irua:145697 |
Serial |
4755 |
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Permanent link to this record |
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Author |
Van de Put, M.L.; Sorée, B.; Magnus, W. |
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|
Title |
Efficient solution of the Wigner-Liouville equation using a spectral decomposition of the force field |
Type |
A1 Journal article |
|
Year |
2017 |
Publication |
Journal of computational physics |
Abbreviated Journal |
J Comput Phys |
|
|
Volume |
350 |
Issue |
|
Pages |
314-325 |
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|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
|
Abstract |
The Wigner-Liouville equation is reformulated using a spectral decomposition of the classical force field instead of the potential energy. The latter is shown to simplify the Wigner-Liouville kernel both conceptually and numerically as the spectral force Wigner-Liouville equation avoids the numerical evaluation of the highly oscillatory Wigner kernel which is nonlocal in both position and momentum. The quantum mechanical evolution is instead governed by a term local in space and non-local in momentum, where the non locality in momentum has only a limited range. An interpretation of the time evolution in terms of two processes is presented; a classical evolution under the influence of the averaged driving field, and a probability-preserving quantum-mechanical generation and annihilation term. Using the inherent stability and reduced complexity, a direct deterministic numerical implementation using Chebyshev and Fourier pseudo-spectral methods is detailed. For the purpose of illustration, we present results for the time evolution of a one-dimensional resonant tunneling diode driven out of equilibrium. (C) 2017 Elsevier Inc. All rights reserved. |
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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 |
New York |
Editor |
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Language |
|
Wos |
000413379000016 |
Publication Date |
2017-09-02 |
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Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0021-9991 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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|
Impact Factor |
2.744 |
Times cited |
5 |
Open Access |
|
|
|
Notes |
; ; |
Approved |
Most recent IF: 2.744 |
|
|
Call Number |
UA @ lucian @ c:irua:146630 |
Serial |
4780 |
|
Permanent link to this record |
|
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|
|
Author |
Zografos, O.; Manfrini, M.; Vaysset, A.; Sorée, B.; Ciubotaru, F.; Adelmann, C.; Lauwereins, R.; Raghavan, P.; Radu, I.P. |
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|
Title |
Exchange-driven magnetic logic |
Type |
A1 Journal article |
|
Year |
2017 |
Publication |
Scientific reports |
Abbreviated Journal |
Sci Rep-Uk |
|
|
Volume |
7 |
Issue |
|
Pages |
12154 |
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|
Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
|
|
Abstract |
Direct exchange interaction allows spins to be magnetically ordered. Additionally, it can be an efficient manipulation pathway for low-powered spintronic logic devices. We present a novel logic scheme driven by exchange between two distinct regions in a composite magnetic layer containing a bistable canted magnetization configuration. By applying a magnetic field pulse to the input region, the magnetization state is propagated to the output via spin-to-spin interaction in which the output state is given by the magnetization orientation of the output region. The dependence of this scheme with input field conditions is extensively studied through a wide range of micromagnetic simulations. These results allow different logic operating modes to be extracted from the simulation results, and majority logic is successfully demonstrated. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
Nature Publishing Group |
Place of Publication |
London |
Editor |
|
|
|
Language |
|
Wos |
000411434900020 |
Publication Date |
2017-09-18 |
|
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Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
2045-2322 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
4.259 |
Times cited |
7 |
Open Access |
|
|
|
Notes |
; ; |
Approved |
Most recent IF: 4.259 |
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|
Call Number |
UA @ lucian @ c:irua:146742 |
Serial |
4784 |
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Permanent link to this record |
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Author |
Dutta, S.; Zografos, O.; Gurunarayanan, S.; Radu, I.; Sorée, B.; Catthoor, F.; Naeemi, A. |
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Title |
Proposal for nanoscale cascaded plasmonic majority gates for non-Boolean computation |
Type |
A1 Journal article |
|
Year |
2017 |
Publication |
Scientific reports |
Abbreviated Journal |
Sci Rep-Uk |
|
|
Volume |
7 |
Issue |
|
Pages |
17866 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
<script type='text/javascript'>document.write(unpmarked('Surface-plasmon-polariton waves propagating at the interface between a metal and a dielectric, hold the key to future high-bandwidth, dense on-chip integrated logic circuits overcoming the diffraction limitation of photonics. While recent advances in plasmonic logic have witnessed the demonstration of basic and universal logic gates, these CMOS oriented digital logic gates cannot fully utilize the expressive power of this novel technology. Here, we aim at unraveling the true potential of plasmonics by exploiting an enhanced native functionality – the majority voter. Contrary to the state-of-the-art plasmonic logic devices, we use the phase of the wave instead of the intensity as the state or computational variable. We propose and demonstrate, via numerical simulations, a comprehensive scheme for building a nanoscale cascadable plasmonic majority logic gate along with a novel referencing scheme that can directly translate the information encoded in the amplitude and phase of the wave into electric field intensity at the output. Our MIM-based 3-input majority gate displays a highly improved overall area of only 0.636 mu m(2) for a single-stage compared with previous works on plasmonic logic. The proposed device demonstrates non-Boolean computational capability and can find direct utility in highly parallel real-time signal processing applications like pattern recognition.')); |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
Nature Publishing Group |
Place of Publication |
London |
Editor |
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Language |
|
Wos |
000418359600116 |
Publication Date |
2017-12-13 |
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|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
2045-2322 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
4.259 |
Times cited |
2 |
Open Access |
|
|
|
Notes |
; ; |
Approved |
Most recent IF: 4.259 |
|
|
Call Number |
UA @ lucian @ c:irua:148514 |
Serial |
4891 |
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Permanent link to this record |
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Author |
Andrikopoulos, D.; Sorée, B. |
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|
Title |
Skyrmion electrical detection with the use of three-dimensional Topological Insulators/Ferromagnetic bilayers |
Type |
A1 Journal article |
|
Year |
2017 |
Publication |
Scientific reports |
Abbreviated Journal |
Sci Rep-Uk |
|
|
Volume |
7 |
Issue |
|
Pages |
17871 |
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|
Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
<script type='text/javascript'>document.write(unpmarked('The effect of the magnetic skyrmion texture on the electronic transport properties of the Tl surface state coupled to a thin-film FM is numerically investigated. It is shown that both Bloch (vortex) and Neel (hedgehog) skyrmion textures induce additional scattering on top of a homogeneous background FM texture which can modify the conductance of the system. The change in conductance depends on several factors including the skyrmion size, the dimensions of the FM and the exchange interaction strength. For the Neel skyrmion, the result of the interaction strongly depends on the skyrmion number N-sk and the skyrmion helicity h. For both skyrmion types, significant change of the resistance can be achieved, which is in the order of k Omega.')); |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
Nature Publishing Group |
Place of Publication |
London |
Editor |
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Language |
|
Wos |
000418359600121 |
Publication Date |
2017-12-13 |
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Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
2045-2322 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
4.259 |
Times cited |
3 |
Open Access |
|
|
|
Notes |
; ; |
Approved |
Most recent IF: 4.259 |
|
|
Call Number |
UA @ lucian @ c:irua:148513 |
Serial |
4896 |
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Permanent link to this record |
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|
Author |
Kenawy, A.; Magnus, W.; Sorée, B. |
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Title |
Flux quantization and Aharonov-Bohm effect in superconducting rings |
Type |
A1 Journal article |
|
Year |
2018 |
Publication |
Journal of superconductivity and novel magnetism |
Abbreviated Journal |
J Supercond Nov Magn |
|
|
Volume |
31 |
Issue |
5 |
Pages |
1351-1357 |
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|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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|
Abstract |
Superconductivity is a macroscopic coherent state exhibiting various quantum phenomena such as magnetic flux quantization. When a superconducting ring is placed in a magnetic field, a current flows to expel the field from the ring and to ensure that the enclosed flux is an integer multiple of h/(2|e|). Although the quantization of magnetic flux in ring structures is extensively studied in literature, the applied magnetic field is typically assumed to be homogeneous, implicitly implying an interplay between field expulsion and flux quantization. Here, we propose to decouple these two effects by employing an Aharonov-Bohm-like structure where the superconducting ring is threaded by a magnetic core (to which the applied field is confined). Although the magnetic field vanishes inside the ring, the formation of vortices takes place, corresponding to a change in the flux state of the ring. The time evolution of the density of superconducting electrons is studied using the time-dependent Ginzburg-Landau equations. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
New York, N.Y. |
Editor |
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Language |
|
Wos |
000429354100010 |
Publication Date |
2017-10-09 |
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Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
1557-1939 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
|
|
Impact Factor |
1.18 |
Times cited |
|
Open Access |
|
|
|
Notes |
; ; |
Approved |
Most recent IF: 1.18 |
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|
Call Number |
UA @ lucian @ c:irua:150742UA @ admin @ c:irua:150742 |
Serial |
4969 |
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Permanent link to this record |
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Author |
Pourtois, G.; Dabral, A.; Sankaran, K.; Magnus, W.; Yu, H.; de de Meux, A.J.; Lu, A.K.A.; Clima, S.; Stokbro, K.; Schaekers, M.; Houssa, M.; Collaert, N.; Horiguchi, N. |
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|
Title |
Probing the intrinsic limitations of the contact resistance of metal/semiconductor interfaces through atomistic simulations |
Type |
P1 Proceeding |
|
Year |
2017 |
Publication |
Semiconductors, Dielectrics, And Metals For Nanoelectronics 15: In Memory Of Samares Kar |
Abbreviated Journal |
|
|
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Volume |
|
Issue |
|
Pages |
303-311 |
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Keywords |
P1 Proceeding; Engineering sciences. Technology; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
In this contribution, we report a fundamental study of the factors that set the contact resistivity between metals and highly doped semiconductors. We investigate the case of n-type doped Si contacted with amorphous TiSi combining first-principles calculations with Non-Equilibrium Green functions transport simulations. The intrinsic contact resistivity is found to saturate at similar to 2x10(-10) Omega.cm(2) with the doping concentration and sets an intrinsic limit to the ultimate contact resistance achievable for n-doped Si vertical bar amorphous-TiSi. This limit arises from the intrinsic properties of the semiconductor and of the metal such as their electron effective masses and Fermi energies. We illustrate that, in this regime, contacting metals with a heavy electron effective mass helps reducing the interface intrinsic contact resistivity. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
Electrochemical soc inc |
Place of Publication |
Pennington |
Editor |
|
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Language |
|
Wos |
000426271800028 |
Publication Date |
2017-10-17 |
|
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Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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|
|
Series Volume |
80 |
Series Issue |
1 |
Edition |
|
|
|
ISSN |
978-1-62332-470-4; 978-1-60768-818-1 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
|
Times cited |
1 |
Open Access |
Not_Open_Access |
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|
Notes |
; ; |
Approved |
Most recent IF: NA |
|
|
Call Number |
UA @ lucian @ c:irua:149966 |
Serial |
4976 |
|
Permanent link to this record |
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Author |
Vanherck, J.; Sorée, B.; Magnus, W. |
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Title |
Anisotropic bulk and planar Heisenberg ferromagnets in uniform, arbitrarily oriented magnetic fields |
Type |
A1 Journal article |
|
Year |
2018 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
J Phys-Condens Mat |
|
|
Volume |
30 |
Issue |
27 |
Pages |
275801 |
|
|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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|
Abstract |
Today, further downscaling of mobile electronic devices poses serious problems, such as energy consumption and local heat dissipation. In this context, spin wave majority gates made of very thin ferromagnetic films may offer a viable alternative. However, similar downscaling of magnetic thin films eventually enforces the latter to operate as quasi-2D magnets, the magnetic properties of which are not yet fully understood, especially those related to anisotropies and external magnetic fields in arbitrary directions. To this end, we have investigated the behaviour of an easy-plane and easy-axis anisotropic ferromagnet-both in two and three dimensions-subjected to a uniform magnetic field, applied along an arbitrary direction. In this paper, a spin-1/2 Heisenberg Hamiltonian with anisotropic exchange interactions is solved using double-time temperature-dependent Green's functions and the Tyablikov decoupling approximation. We determine various magnetic properties such as the Curie temperature and the magnetization as a function of temperature and the applied magnetic field, discussing the impact of the system's dimensionality and the type of anisotropy. The magnetic reorientation transition taking place in anisotropic Heisenberg ferromagnets is studied in detail. Importantly, spontaneous magnetization is found to be absent for easy-plane 2D spin systems with short range interactions. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
London |
Editor |
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Language |
|
Wos |
000434980600001 |
Publication Date |
2018-05-21 |
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Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
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|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0953-8984 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
2.649 |
Times cited |
|
Open Access |
|
|
|
Notes |
; ; |
Approved |
Most recent IF: 2.649 |
|
|
Call Number |
UA @ lucian @ c:irua:151945UA @ admin @ c:irua:151945 |
Serial |
5012 |
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Permanent link to this record |
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Author |
Simchi, H.; Simchi, M.; Fardmanesh, M.; Peeters, F.M. |
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Title |
Phase transition and field effect topological quantum transistor made of monolayer MoS2 |
Type |
A1 Journal article |
|
Year |
2018 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
J Phys-Condens Mat |
|
|
Volume |
30 |
Issue |
23 |
Pages |
235303 |
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|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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|
Abstract |
We study topological phase transitions and topological quantum field effect transistor in monolayer molybdenum disulfide (MoS2) using a two-band Hamiltonian model. Without considering the quadratic (q(2)) diagonal term in the Hamiltonian, we show that the phase diagram includes quantum anomalous Hall effect, quantum spin Hall effect, and spin quantum anomalous Hall effect regions such that the topological Kirchhoff law is satisfied in the plane. By considering the q(2) diagonal term and including one valley, it is shown that MoS2 has a non-trivial topology, and the valley Chern number is non-zero for each spin. We show that the wave function is (is not) localized at the edges when the q(2) diagonal term is added (deleted) to (from) the spin-valley Dirac mass equation. We calculate the quantum conductance of zigzag MoS2 nanoribbons by using the nonequilibrium Green function method and show how this device works as a field effect topological quantum transistor. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
London |
Editor |
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Language |
|
Wos |
000432821600001 |
Publication Date |
2018-04-26 |
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Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0953-8984 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
2.649 |
Times cited |
2 |
Open Access |
|
|
|
Notes |
; ; |
Approved |
Most recent IF: 2.649 |
|
|
Call Number |
UA @ lucian @ c:irua:151457UA @ admin @ c:irua:151457 |
Serial |
5035 |
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Permanent link to this record |
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Author |
Saberi-Pouya, S.; Vazifehshenas, T.; Saleh, M.; Farmanbar, M.; Salavati-fard, T. |
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Title |
Plasmon modes in monolayer and double-layer black phosphorus under applied uniaxial strain |
Type |
A1 Journal article |
|
Year |
2018 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
|
|
Volume |
123 |
Issue |
17 |
Pages |
174301 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
|
Abstract |
We study the effects of an applied in-plane uniaxial strain on the plasmon dispersions of monolayer, bilayer, and double-layer black phosphorus structures in the long-wavelength limit within the linear elasticity theory. In the low-energy limit, these effects can be modeled through the change in the curvature of the anisotropic energy band along the armchair and zigzag directions. We derive analytical relations of the plasmon modes under uniaxial strain and show that the direction of the applied strain is important. Moreover, we observe that along the armchair direction, the changes of the plasmon dispersion with strain are different and larger than those along the zigzag direction. Using the analytical relations of two-layer phosphorene systems, we found that the strain-dependent orientation factor of layers could be considered as a means to control the variations of the plasmon energy. Furthermore, our study shows that the plasmonic collective modes are more affected when the strain is applied equally to the layers compared to the case in which the strain is applied asymmetrically to the layers. We also calculate the effect of strain on the drag resistivity in a double-layer black phosphorus structure and obtain that the changes in the plasmonic excitations, due to an applied strain, are mainly responsible for the predicted results. This study can be readily extended to other anisotropic two-dimensional materials. Published by AIP Publishing. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
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|
Language |
|
Wos |
000431651600014 |
Publication Date |
2018-05-01 |
|
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Series Editor |
|
Series Title |
|
Abbreviated Series Title |
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|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0021-8979; 1089-7550 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
2.068 |
Times cited |
4 |
Open Access |
|
|
|
Notes |
; ; |
Approved |
Most recent IF: 2.068 |
|
|
Call Number |
UA @ lucian @ c:irua:151522UA @ admin @ c:irua:151522 |
Serial |
5037 |
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Permanent link to this record |
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Author |
Contino, A.; Ciofi, I.; Wu, X.; Asselberghs, I.; Celano, U.; Wilson, C.J.; Tokei, Z.; Groeseneken, G.; Sorée, B. |
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Title |
Modeling of edge scattering in graphene interconnects |
Type |
A1 Journal article |
|
Year |
2018 |
Publication |
IEEE electron device letters |
Abbreviated Journal |
Ieee Electr Device L |
|
|
Volume |
39 |
Issue |
7 |
Pages |
1085-1088 |
|
|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
|
Abstract |
Graphene interconnects are being considered as a promising candidate for beyond CMOS applications, thanks to the intrinsic higher carrier mobility, lower aspect ratio and better reliability with respect to conventional Cu damascene interconnects. However, similarly to Cu, line edge roughness can seriously affect graphene resistance, something which must be taken into account when evaluating the related performance benefits. In this letter, we present a model for assessing the impact of edge scattering on the resistance of graphene interconnects. Our model allows the evaluation of the total mean free path in graphene lines as a function of graphene width, diffusive scattering probability and edge roughness standard deviation and autocorrelation length. We compare our model with other models from literature by benchmarking them using the same set of experimental data. We show that, as opposed to the considered models from literature, our model is capable to describe the mobility drop with scaling caused by significantly rough edges. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
|
Place of Publication |
|
Editor |
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Language |
|
Wos |
000437087400041 |
Publication Date |
2018-05-07 |
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Series Editor |
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Series Title |
|
Abbreviated Series Title |
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Series Volume |
|
Series Issue |
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Edition |
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ISSN |
0741-3106 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.048 |
Times cited |
1 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 3.048 |
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Call Number |
UA @ lucian @ c:irua:152465UA @ admin @ c:irua:152465 |
Serial |
5114 |
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Permanent link to this record |
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Author |
Beckers, A.; Thewissen, M.; Sorée, B. |
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Title |
Energy filtering in silicon nanowires and nanosheets using a geometric superlattice and its use for steep-slope transistors |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
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Volume |
124 |
Issue |
14 |
Pages |
144304 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
This paper investigates energy filtering in silicon nanowires and nanosheets by resonant electron tunneling through a geometric superlattice. A geometric superlattice is any kind of periodic geometric feature along the transport direction of the nanowire or nanosheet. Multivalley quantum-transport simulations are used to demonstrate the manifestation of minibands and minibandgaps in the transmission spectra of such a superlattice. We find that the presence of different valleys in the conduction band of silicon favors a nanowire with a rectangular cross section for effective energy filtering. The obtained energy filter can consequently be used in the source extension of a field-effect transistor to prevent high-energy electrons from contributing to the leakage current. Self-consistent Schrodinger-Poisson simulations in the ballistic limit show minimum subthreshold swings of 6 mV/decade for geometric superlattices with indentations. The obtained theoretical performance metrics for the simulated devices are compared with conventional III-V superlatticeFETs and TunnelFETs. The adaptation of the quantum transmitting boundary method to the finite-element simulation of 3-D structures with anisotropic effective mass is presented in Appendixes A and B. Our results bare relevance in the search for steep-slope transistor alternatives which are compatible with the silicon industry and can overcome the power-consumption bottleneck inherent to standard CMOS technologies. Published by AIP Publishing. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000447148100011 |
Publication Date |
2018-10-11 |
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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 |
0021-8979; 1089-7550 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.068 |
Times cited |
3 |
Open Access |
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|
Notes |
; ; |
Approved |
Most recent IF: 2.068 |
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Call Number |
UA @ lucian @ c:irua:154729UA @ admin @ c:irua:154729 |
Serial |
5099 |
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Permanent link to this record |
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Author |
Magnus, W.; Brosens, F. |
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Title |
Occupation numbers in a quantum canonical ensemble : a projection operator approach |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Physica: A : theoretical and statistical physics |
Abbreviated Journal |
Physica A |
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Volume |
518 |
Issue |
518 |
Pages |
253-264 |
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Keywords |
A1 Journal article; Theory of quantum systems and complex systems; Condensed Matter Theory (CMT) |
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Abstract |
Recently, we have used a projection operator to fix the number of particles in a second quantization approach in order to deal with the canonical ensemble. Having been applied earlier to handle various problems in nuclear physics that involve fixed particle numbers, the projector formalism was extended to grant access as well to quantum-statistical averages in condensed matter physics, such as particle densities and correlation functions. In this light, the occupation numbers of the subsequent single-particle energy eigenstates are key quantities to be examined. The goal of this paper is (1) to provide a sound extension of the projector formalism directly addressing the occupation numbers as well as the chemical potential, and (2) to demonstrate how the emerging problems related to numerical instability for fermions can be resolved to obtain the canonical statistical quantities for both fermions and bosons. (C) 2018 Elsevier B.V. All rights reserved. |
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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 |
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Editor |
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Language |
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Wos |
000456359200021 |
Publication Date |
2018-11-28 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
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Edition |
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ISSN |
0378-4371 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.243 |
Times cited |
1 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 2.243 |
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Call Number |
UA @ admin @ c:irua:157468 |
Serial |
5223 |
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Permanent link to this record |
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Author |
Choudhary, K.; Bercx, M.; Jiang, J.; Pachter, R.; Lamoen, D.; Tavazza, F. |
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Title |
Accelerated Discovery of Efficient Solar Cell Materials Using Quantum and Machine-Learning Methods |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
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Volume |
31 |
Issue |
15 |
Pages |
5900-5908 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Solar energy plays an important role in solving serious environmental
problems and meeting the high energy demand. However, the lack of suitable
materials hinders further progress of this technology. Here, we present the largest
inorganic solar cell material search till date using density functional theory (DFT) and
machine-learning approaches. We calculated the spectroscopic limited maximum
efficiency (SLME) using the Tran−Blaha-modified Becke−Johnson potential for 5097
nonmetallic materials and identified 1997 candidates with an SLME higher than 10%,
including 934 candidates with a suitable convex-hull stability and an effective carrier
mass. Screening for two-dimensional-layered cases, we found 58 potential materials
and performed G0W0 calculations on a subset to estimate the prediction uncertainty. As the above DFT methods are still computationally expensive, we developed a high accuracy machine-learning model to prescreen efficient materials and applied it to over a million materials. Our results provide a general framework and universal strategy for the design of high-efficiency solar
cell materials. The data and tools are publicly distributed at: https://www.ctcms.nist.gov/~knc6/JVASP.html, https://www.
ctcms.nist.gov/jarvisml/, https://jarvis.nist.gov/, and https://github.com/usnistgov/jarvis. |
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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 |
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Editor |
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Language |
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Wos |
000480826900060 |
Publication Date |
2019-08-13 |
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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 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
9.466 |
Times cited |
6 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 9.466 |
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Call Number |
EMAT @ emat @c:irua:161814 |
Serial |
5291 |
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Permanent link to this record |
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Author |
De Beule, C.; Saniz, R.; Partoens, B. |
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Title |
Crystalline topological states at a topological insulator junction |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
The journal of physics and chemistry of solids |
Abbreviated Journal |
J Phys Chem Solids |
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Volume |
128 |
Issue |
128 |
Pages |
144-151 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
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Abstract |
We consider an interface between two strong time-reversal invariant topological insulators having surface states with opposite spin chirality, or equivalently, opposite mirror Chern number. We show that such an interface supports gapless modes that are protected by mirror symmetry. The interface states are investigated with a continuum model for the Bi2Se3 class of topological insulators that takes into account terms up to third order in the crystal momentum, which ensures that the model has the correct symmetry. The model parameters are obtained from ab initio calculations. Finally, we consider the effect of rotational mismatch at the interface, which breaks the mirror symmetry and opens a gap in the interface spectrum. |
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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 |
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Editor |
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Language |
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Wos |
000472693100013 |
Publication Date |
2018-01-31 |
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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 |
0022-3697 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
2.059 |
Times cited |
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Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 2.059 |
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Call Number |
UA @ admin @ c:irua:161391 |
Serial |
5385 |
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Permanent link to this record |
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Author |
Hadermann, J.; Palatinus, L. |
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Title |
Introducton to the special issue on electron crystallography |
Type |
Editorial |
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Year |
2019 |
Publication |
And Materials |
Abbreviated Journal |
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Volume |
75 |
Issue |
4 |
Pages |
462-462 |
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Keywords |
Editorial; Electron microscopy for materials research (EMAT) |
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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 |
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Editor |
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Language |
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Wos |
000480512600028 |
Publication Date |
2019-08-05 |
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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 |
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Impact Factor |
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Times cited |
2 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:161845 |
Serial |
5389 |
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Permanent link to this record |
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Author |
Liu, P.; Wu, T.; Madsen, J.; Schiotz, J.; Wagner, J.B.; Hansen, T.W. |
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Title |
Transformations of supported gold nanoparticles observed by in situ electron microscopy |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Nanoscale |
Abbreviated Journal |
Nanoscale |
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Volume |
11 |
Issue |
24 |
Pages |
11885-11891 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
Oxide supported metal nanoparticles play an important role in heterogeneous catalysis. However, understanding the metal/oxide interface and their evolution under reaction conditions remains challenging. Herein, we investigate the interface between Au nanoparticles and a CeO2 substrate by environmental transmission electron microscopy with atomic resolution. We find that the Au nanoparticles have two preferential epitaxial relationships with the substrate, i.e. Type I (111)[-110]CeO2//(111)[-110]Au and Type II (111)[-110]CeO2//(111)[1-10]Au orientation relationships, where Type I is preferred. In situ observations in the presence of O-2 show that the gas can stimulate the supported Au nanoparticles to transform between these two orientations even at room temperature. Moreover, when increasing the temperature to 973 K, the transformation of an Au nanoparticle between the two orientation states and a non-crystalline state in the presence of O-2 is also observed. DFT calculations of the binding between Au and CeO2 in the two relationships are strongly influenced by the presence of oxygen vacancies. For a given position of a vacancy, there is a significant energy difference between the energy of the two types. However, for some positions, Type I is preferred, and for others, Type II, but the most favourable position of the vacancy for the two types has a very similar energy. This is consistent with the observation of both types of adhesion. |
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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 |
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Editor |
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Language |
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Wos |
000472559800049 |
Publication Date |
2019-05-22 |
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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 |
2040-3364 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
7.367 |
Times cited |
1 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 7.367 |
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Call Number |
UA @ admin @ c:irua:161313 |
Serial |
5402 |
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Permanent link to this record |
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Author |
Sabzalipour, A.; Partoens, B. |
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Title |
Anomalous Hall effect in magnetic topological insulators : semiclassical framework |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
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Volume |
100 |
Issue |
3 |
Pages |
035419 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The anomalous Hall effect (AHE) is studied on the surface of a 3D magnetic topological insulator. By applying a modified semiclassical framework, all three contributions to the AHE, the Berry curvature effect, the side jump effect and the skew scattering effects are systematically treated, and analytical expressions for the conductivities are obtained in terms of the Fermi level, the spatial orientation of the surface magnetization and the concentration of magnetic and nonmagnetic impurities. We demonstrate that the AHE can change sign by altering the orientation of the surface magnetization, the concentration of the impurities and also the position of the Fermi level, in agreement with recent experimental observations. We show how each contribution to the AHE, or even the whole AHE, can be turned off by properly adjusting the given parameters. For example, one can turn off the anomalous hall conductivity in a system with in-plane magnetization by pushing the system into the fully metallic regime. |
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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 |
000475499200007 |
Publication Date |
2019-07-15 |
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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 |
2469-9969; 2469-9950 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
2 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 3.836 |
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Call Number |
UA @ admin @ c:irua:161219 |
Serial |
5406 |
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Permanent link to this record |
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Author |
Chaves, A.; Neilson, D. |
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Title |
Exotic state seen at high temperatures |
Type |
Editorial |
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Year |
2019 |
Publication |
Nature |
Abbreviated Journal |
Nature |
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Volume |
574 |
Issue |
7776 |
Pages |
39-40 |
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Keywords |
Editorial; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
The phenomenon of Bose-Einstein condensation is typically limited to extremely low temperatures. The effect has now been spotted at much higher temperatures for particles called excitons in atomically thin semiconductors. |
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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 |
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Editor |
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Language |
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Wos |
000488832500022 |
Publication Date |
2019-10-02 |
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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 |
0028-0836 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
40.137 |
Times cited |
2 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 40.137 |
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Call Number |
UA @ admin @ c:irua:163739 |
Serial |
5413 |
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Permanent link to this record |
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Author |
Yuan, H.F.; Xu, W.; Zhao, X.N.; Song, D.; Zhang, G.R.; Xiao, Y.M.; Ding, L.; Peeters, F.M. |
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Title |
Quantum and transport mobilities of a Na3Bi-based three-dimensional Dirac system |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
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Volume |
99 |
Issue |
23 |
Pages |
235303 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The electronic and transport properties of a three-dimensional (3D) Dirac system are investigated theoretically, which is motivated by recent experimental measurements on quantum and transport mobilities in the 3D Dirac semimetal Na3Bi by J. Xiong et al. [Science 350, 413 (2015); Europhys. Lett. 114, 27002 (2016)]. The electron Hamiltonian is taken from a simplified k center dot p approach. From the obtained electronic band structure and the Fermi energy, we explain why the anomalous effect induced by the chiral anomaly and the Berry curvature in the energy band can be observed experimentally in magnetotransport coefficients in both low-and high-density samples. Moreover, the quantum and transport mobilities are calculated on the basis of the momentum-balance equation derived from a semiclassical Boltzmann equation with the electron-impurity interaction. The quantum and transport mobilities obtained from this study agree both qualitatively and quantitatively with those measured experimentally. We also examine the electron mobilities along different crystal directions in Na3Bi and find them largely anisotropic. The theoretical findings from this work can be helpful in gaining an in-depth understanding of the experimental results and of the basic electronic and transport properties of newly developed 3D Dirac systems. |
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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 |
000471983500006 |
Publication Date |
2019-06-17 |
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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 |
2469-9969; 2469-9950 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
3 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 3.836 |
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Call Number |
UA @ admin @ c:irua:161329 |
Serial |
5425 |
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Permanent link to this record |