| |
Records |
Links |
|
Author |
Ayalew, E.; Janssens, K.; De Wael, K. |
|
| |
Title |
Unraveling the reactivity of minium towards bicarbonate and the role of lead oxides therein |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
Analytical chemistry |
Abbreviated Journal |
Anal Chem |
|
| |
Volume  |
88 |
Issue |
3 |
Pages |
1564-1569 |
|
| |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
|
| |
Abstract |
Understanding the reactivity of (semiconductor) pigments provides vital information on how to improve conservation strategies for works of art in order to avoid rapid degradation of the pigments. This study focuses on the photoactivity of minium (Pb3O4), a semiconductor pigment, that gives rise to strong discoloration phenomena upon exposure to various environmental conditions. To demonstrate its photoactivity, an electrochemical setup with minium-modified graphite electrode (C|Pb3O4) was used. It is confirmed that minium is a p-type semiconductor which is photoactive during illumination and becomes inactive in the dark. Raman measurements confirm the formation of the degradation products. The photoactivity of a semiconductor pigment is partly defined by the presence of lead oxide (PbO) impurities; these introduce new states in the original band gap. It will be experi-mentally evidenced that the presence of PbO particles in minium leads to an upward shift of the valence band that reduces the band gap. Thus, upon photoexcitation, the electron/hole separation is more easily initialized. The PbO/Pb3O4 composite electrodes demonstrate a higher reductive photocurrent compared to the photocurrent registered at pure PbO or Pb3O4 modified electrodes. Upon exposure to light with energy close to and above the band gap, electrons are excited from the valence band to the conduction band to initialize the reduction of Pb(IV) to Pb(II), resulting in the initial formation of PbO. However in the presence of bicarbonate ions, a significantly higher photoreduction current is recorded since the PbO reacts further to form hydrocerussite. Therefore the presence of bicarbonates in the environment stimulates the photodecomposition process of minium and plays an important role in the degradation process. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000369471100014 |
Publication Date |
2015-12-31 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0003-2700; 5206-882x |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
6.32 |
Times cited |
9 |
Open Access |
|
|
| |
Notes |
; The authors acknowledge Sanne Aerts from the Laboratory of Adsorption and Catalysis (LADCA) of the University of Antwerp for her help with the UV-vis-DR. Financial support from the SOLARPAINT BOF-GOA project (University of Antwerp Research Council) is acknowledged. The authors are also indebted to F. Vanmeert for performing the XRD measurements. ; |
Approved |
Most recent IF: 6.32 |
|
| |
Call Number |
UA @ admin @ c:irua:129963 |
Serial |
5888 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Kuppens, T.; Van Dael, M.; Vanreppelen, K.; Thewys, T.; Yperman, J.; Carleer, R.; Schreurs, S.; Van Passel, S. |
|
| |
Title |
Techno-economic assessment of fast pyrolysis for the valorization of short rotation coppice cultivated for phytoextraction |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
Journal Of Cleaner Production |
Abbreviated Journal |
J Clean Prod |
|
| |
Volume |
88 |
Issue |
|
Pages |
336-344 |
|
| |
Keywords |
A1 Journal article; Engineering Management (ENM) |
|
| |
Abstract |
The main barrier in the commercialization of phytoextraction as a sustainable alternative for remediating metal contaminated soils is its long time period, which can be countered by biomass valorization. From an environmental point of view, fast pyrolysis of the biomass is promising because its lower process temperature prevents metal volatilization. The remaining question is whether fast pyrolysis is also preferred from an economic point of view. Therefore, a techno-economic assessment of fast pyrolysis has been performed for a case study in the Campine region in Belgium. For this region, willow trees cultivated in short rotation have the right characteristics to serve as a phytoextracting crop. A techno-economic assessment requires by definition a multidisciplinary approach. The problem statement urges for a focus on the economic profitability from the viewpoint of an investor, including economic risk analysis. Fast pyrolysis seems more profitable than gasification. The profit is dependent on the scale of operation, the policy support (subsidies) and the oil yield. The economic risk can be reduced by increasing the scale of operation by means of complementing feedstocks, and by valorization of the char byproduct by subsequent processing to activated carbon. (C) 2014 Elsevier Ltd. All rights reserved. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000347771100036 |
Publication Date |
2014-07-19 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0959-6526 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
5.715 |
Times cited |
36 |
Open Access |
|
|
| |
Notes |
; ; |
Approved |
Most recent IF: 5.715; 2015 IF: 3.844 |
|
| |
Call Number |
UA @ admin @ c:irua:127539 |
Serial |
6264 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Maes, D.; Van Dael, M.; Vanheusden, B.; Goovaerts, L.; Reumerman, P.; Luzardo, N.M.; Van Passel, S. |
|
| |
Title |
Assessment of the sustainability guidelines of EU Renewable Energy Directive : the case of biorefineries |
Type |
A1 Journal article |
| |
Year |
2015 |
Publication |
Journal Of Cleaner Production |
Abbreviated Journal |
J Clean Prod |
|
| |
Volume |
88 |
Issue |
|
Pages |
61-70 |
|
| |
Keywords |
A1 Journal article; Economics; Engineering Management (ENM) |
|
| |
Abstract |
Sustainability guidelines can help to safeguard the sustainable use of biological materials. When these guidelines are legally prescribed, their influence on the economic viability of bioenergy, biofuel and bioliquid projects is increased substantially, through their impact on national subsidy regimes and international trade. One of the key examples is the European directive 2009/28/EC, or the Renewable Energy Directive (RED), and the related COM/2010/11 that integrate guidelines for calculating greenhouse gas impact for various bioenergy pathways. This paper looks further into the sustainability results when influenced by principal decisions that are legally open for debate. Therefore, a concise review is conducted of the legal state-of-the-art on whether a product is waste or not. The review pinpoints uncertainty, leading to four potential legal scenarios. The sustainability of a complex biorefinery is analysed for each scenario. The results show (i) a high sensitivity to the principal decisions on the nature of waste materials in the scenarios, and (ii) to the definition of boundaries between the processes. More detailed rules for the application of the RED guidelines are needed, and should be complemented with methods specifically targeting all relevant sustainability aspects, thereby enhancing the overall understanding of the sustainability of the process. (C) 2014 Elsevier Ltd. All rights reserved. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000347771100007 |
Publication Date |
2014-04-30 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0959-6526 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
5.715 |
Times cited |
25 |
Open Access |
|
|
| |
Notes |
; We would like to thank the editor and the anonymous referees for their helpful suggestions and insightful comments that have significantly improved the paper. The 'Energy Conversion Parks' (ECP) project is funded as Project nr IVA-VLANED-2.39 by the Interreg IVa-Flanders-Netherlands program from the European Fund for Regional Development that stimulates cross border projects. Also the Dutch Ministry of Economic Affairs, the Flemish Government, the Provinces of Noord-Brabant (NL), Zeeland (NL), Limburg (BE) and the partners (VITO, Avans University of Applied Sciences, Wageningen University and Research, Hasselt University, and Zeeland University of Applied Sciences) themselves are co-financing the project. Finally, we would like to express our gratitude towards the organization of the eighth Conference on Sustainable Development of Energy, Water and Environment systems in Dubrovnik (Croatia) for giving us the opportunity to present and thereby fine-tune our work. ; |
Approved |
Most recent IF: 5.715; 2015 IF: 3.844 |
|
| |
Call Number |
UA @ admin @ c:irua:127538 |
Serial |
6157 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Poma, G.; McGrath, T.J.; Christia, C.; Govindan, M.; Covaci, A. |
|
| |
Title |
Emerging halogenated flame retardants in the indoor environment |
Type |
A1 Journal article |
| |
Year |
2020 |
Publication |
Comprehensive analytical chemistry |
Abbreviated Journal |
|
|
| |
Volume |
88 |
Issue |
|
Pages |
107-140 |
|
| |
Keywords |
A1 Journal article; Pharmacology. Therapy; Electron microscopy for materials research (EMAT); Toxicological Centre |
|
| |
Abstract |
Indoor environments are considered an important contributor to external human exposure to halogenated flame retardants (HFRs) due to the large amounts of chemicals currently incorporated in indoor equipment and the time humans spend every day in indoor environments. In this chapter, the presence and use of novel brominated flame retardants (NBFRs), dechlorane plus (DPs), chlorinated organophosphorus flame retardants (Cl-PFRs) and chlorinated paraffins (CPs) in indoor dust, air and consumer products collected from different indoor microenvironments (homes, public indoor spaces, and vehicles) are discussed. While data on the concentrations of HFRs in indoor dust and air are widely available, figures are still scarce for consumer products, such as textiles and foams, furnishings, flooring, electric and electronic products and building materials. This knowledge gaps still represents the biggest obstacle in linking eventual sources of contamination to the presence and chemical patterns in indoor dust and air. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
|
Publication Date |
2019-11-22 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
978-0-444-64339-1 |
ISBN |
|
Additional Links |
UA library record |
|
| |
Impact Factor |
|
Times cited |
|
Open Access |
OpenAccess |
|
| |
Notes |
|
Approved |
Most recent IF: NA |
|
| |
Call Number |
UA @ admin @ c:irua:168776 |
Serial |
6505 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Maenhaut, W.; Raemdonck, H.; Selen, A.; Van Grieken, R.; Winchester, J.W. |
|
| |
Title |
Characterization of the atmospheric aerosol over the eastern equatorial Pacific |
Type |
A1 Journal article |
| |
Year |
1983 |
Publication |
Journal of geophysical research |
Abbreviated Journal |
|
|
| |
Volume |
88 |
Issue |
C:9 |
Pages |
5353-5364 |
|
| |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
|
| |
Abstract |
By using a polyester sailboat as sampling platform, a series of duplicate aerosol samples was collected by cascade impactors on a trip from Panama to Tahiti in 1979. Elemental analysis mainly by particle-induced X ray emission (PIXE) indicated, in the samples collected between Panama and the Galapagos Islands, the presence of a substantial crustal component (∼0.4 μg/m3), fine Cu (∼0.4 ng/m3) and Zn (∼0.6 ng/m3), and excess fine S and K (∼100 and ∼2.4 ng/m3, respectively) in addition to the major sea salt elements. The crustal component and fine Cu and Zn are suggested to result from natural continental sources (i.e., eolian dust transport from the American continents and perhaps geothermal emissions). Samples collected west of the Galapagos Islands in the southern trades showed significantly lower concentrations for the nonseawater components. The average Si and Fe levels were as low as 4.8 and 3.3 ng/m3, corresponding to a maximum of 0.066 μg/m3 for an assumed mineral dust component, whereas heavy metal concentrations were all below the detection limits (typically ranging from 0.05 to 0.15 ng/m3 for V, Cr, Mn, Ni, Cu, Zn, and Se). Excess fine S decreased to a mean of 46 ng/m3, a level similar to those reported for other remote marine and continental locations. This all indicates that the marine atmosphere west of the Galapagos was little influenced by natural continental source processes or by anthropogenic emissions. Under these truly marine conditions, several concentration ratios of the major seawater elements were significantly different from those in bulk seawater. Ca, Sr, and S in >1 μm diameter particles were enriched relative to K and Na, with the enrichment being substantially more pronounced (up to 50% or higher) for l4-μm diameter particles than for particles >4 μm. Comparison of these data with a similar data set from samples collected over the Atlantic indicates that the departures from seawater composition are significantly larger for the Pacific. Differences in sea-to-air fractionation processes, probably involving binding of divalent cations to organic matter in the oceanic surface microlayer, are suggested as being responsible for these observations. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
A1983QU67600025 |
Publication Date |
2008-02-06 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0148-0227; 2156-2202; 0022-1406; 0196-6928; 0196-6936; 0885-3401; 8755-8556; 0196-2256; 0747-7309; 1 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
|
Times cited |
|
Open Access |
|
|
| |
Notes |
|
Approved |
no |
|
| |
Call Number |
UA @ admin @ c:irua:113625 |
Serial |
7633 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Alfeld, M.; Broekaert, J.A.C. |
|
| |
Title |
Mobile depth profiling and sub-surface imaging techniques for historical paintings : a review |
Type |
A1 Journal article |
| |
Year |
2013 |
Publication |
Spectrochimica acta: part B : atomic spectroscopy |
Abbreviated Journal |
|
|
| |
Volume |
88 |
Issue |
|
Pages |
211-230 |
|
| |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
|
| |
Abstract |
Hidden, sub-surface paint layers and features contain valuable information for the art-historical investigation of a painting's past and for its conservation for coming generations. The number of techniques available for the study of these features has been considerably extended in the last decades and established techniques have been refined. This review focuses on mobile non-destructive subsurface imaging and depth profiling techniques, which allow for the in-situ investigation of easel paintings, i.e. paintings on a portable support. Among the techniques discussed are: X-ray radiography and infrared reflectography, which are long established methods and are in use for several decades. Their capabilities of element/species specific imaging have been extended by the introduction of energy/wavelength resolved measurements. Scanning macro-X-ray fluorescence analysis made it for the first time possible to acquire elemental distribution images in-situ and optical coherence tomography allows for the non-destructive study the surface paint layers in virtual cross-sections. These techniques and their variants are presented next to other techniques, such as Terahertz imaging, Nuclear Magnetic Resonance depth profiling and established techniques for non destructive testing (thermography, ultrasonic imaging and laser based interference methods) applied in the conservation of historical paintings. Next to selected case studies the capabilities and limitations of the techniques are discussed. (C) 2013 Elsevier B.V. All rights reserved. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000325838900028 |
Publication Date |
2013-07-19 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0584-8547; 1873-3565 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
|
Times cited |
|
Open Access |
|
|
| |
Notes |
|
Approved |
no |
|
| |
Call Number |
UA @ admin @ c:irua:112232 |
Serial |
8256 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Smits, J.; Van Grieken, R. |
|
| |
Title |
Optimization of a simple spotting procedure for x-ray fluorescence analysis of waters |
Type |
A1 Journal article |
| |
Year |
1977 |
Publication |
Analytica chimica acta |
Abbreviated Journal |
|
|
| |
Volume |
88 |
Issue |
1 |
Pages |
97-107 |
|
| |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
|
| |
Abstract |
Several sample preparation methods for waters for energy-dispersive x.r.f. were examined, as well as the influence of sample size on the analytical characteristics. The most satisfactory simple, rapid method proved to be spotting of 1.5 ml of water sample on a Whatman-41 cellulose filter paper provided with a wax ring of 29-mm diameter and evaporating the water with an unheated air stream from underneath. Sensitivities are below 100 p.p.b. for most elements and often below 50 p.p.b. when the optimal secondary fluorescer is used. Accuracy and precision are usually in the 1520 % range. The method is applicable to many dilute aqueous solutions as is illustrated by analysis of industrial water samples and ashed biological material. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
A1977CQ82600011 |
Publication Date |
2002-07-25 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0003-2670; 1873-4324 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
|
Times cited |
|
Open Access |
|
|
| |
Notes |
|
Approved |
no |
|
| |
Call Number |
UA @ admin @ c:irua:116367 |
Serial |
8337 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Mao, D.; van de Weghe, H.; Lookman, R.; Vanermen, G.; de Brucker, N.; Diels, L. |
|
| |
Title |
Resolving the unresolved complex mixture in motor oils using high-performance liquid chromatography followed by comprehensive two-dimensional gas chromatography |
Type |
A1 Journal article |
| |
Year |
2009 |
Publication |
Fuel |
Abbreviated Journal |
|
|
| |
Volume |
88 |
Issue |
2 |
Pages |
312-318 |
|
| |
Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
|
| |
Abstract |
High-performance liquid chromatography (HPLC) followed by comprehensive two-dimensional gas chromatography (GC×GC) was used for detailed group-type characterization of hydrocarbons present in motor oils. With conventional GC, motor oil is not well separated due to its complexity, resulting in a hump in the chromatogram: the unresolved complex mixture (UCM). With HPLC-GC×GC, motor oil hydrocarbons can be quantitatively separated into four major groups: alkanes, cycloalkanes, alkenes and aromatics. Each group can be further separated and divided by ring number or carbon number. Three selected motor oil samples were characterized by HPLC-GC×GC including two conventional motor oils and a synthetic motor oil. Using a proprietary silver-modified HPLC column, the aromatic components in motor oils were baseline separated from the aliphatic UCM and were then further separated by GC×GC based on their aromatic ring numbers. Accordingly, the aliphatic components were separated by GC×GC based on their saturated ring numbers. This paper illustrates the capabilities of HPLC-GC×GC for reliable and detailed quantitative group-type characterization of hydrocarbons present in motor oils. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000262129000011 |
Publication Date |
2008-09-27 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0016-2361 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
|
Times cited |
|
Open Access |
|
|
| |
Notes |
|
Approved |
no |
|
| |
Call Number |
UA @ admin @ c:irua:75748 |
Serial |
8474 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Sivek, J.; Sahin, H.; Partoens, B.; Peeters, F.M. |
|
| |
Title |
Adsorption and absorption of boron, nitrogen, aluminum, and phosphorus on silicene : stability and electronic and phonon properties |
Type |
A1 Journal article |
| |
Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
|
| |
Volume |
87 |
Issue |
8 |
Pages |
085444-85448 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
Ab initio calculations within the density-functional theory formalism are performed to investigate the chemical functionalization of a graphene-like monolayer of siliconsilicenewith B, N, Al, or P atoms. The structural, electronic, magnetic, and vibrational properties are reported. The most preferable adsorption sites are found to be valley, bridge, valley and hill sites for B, N, Al, and P adatoms, respectively. All the relaxed systems with adsorbed/substituted atoms exhibit metallic behavior with strongly bonded B, N, Al, and P atoms accompanied by an appreciable electron transfer from silicene to the B, N, and P adatom/substituent. The Al atoms exhibit opposite charge transfer, with n-type doping of silicene and weaker bonding. The adatoms/substituents induce characteristic branches in the phonon spectrum of silicene, which can be probed by Raman measurements. Using molecular dynamics, we found that the systems under study are stable up to at least T=500 K. Our results demonstrate that silicene has a very reactive and functionalizable surface. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000315482900007 |
Publication Date |
2013-02-27 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.836 |
Times cited |
169 |
Open Access |
|
|
| |
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem foundation of the Flemish government. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure), and HPC infrastructure of the University of Antwerp (CalcUA) a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules foundation. H.S. is supported by a FWO Pegasus Marie Curie Fellowship. ; |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
|
| |
Call Number |
UA @ lucian @ c:irua:107071 |
Serial |
60 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Sahin, H.; Peeters, F.M. |
|
| |
Title |
Adsorption of alkali, alkaline-earth, and 3d transition metal atoms on silicene |
Type |
A1 Journal article |
| |
Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
|
| |
Volume |
87 |
Issue |
8 |
Pages |
085423-85429 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
The adsorption characteristics of alkali, alkaline-earth, and transition metal adatoms on silicene, a graphene-like monolayer structure of silicon are analyzed by means of first-principles calculations. In contrast to graphene, interaction between the metal atoms and the silicene surface is quite strong due to its highly reactive buckled hexagonal structure. In addition to structural properties, we also calculate the electronic band dispersion, net magnetic moment, charge transfer, work function, and dipole moment of the metal adsorbed silicene sheets. Alkali metals, Li, Na, and K, adsorb to hollow sites without any lattice distortion. As a consequence of the significant charge transfer from alkalis to silicene, metalization of silicene takes place. Trends directly related to atomic size, adsorption height, work function, and dipole moment of the silicene/alkali adatom system are also revealed. We found that the adsorption of alkaline-earth metals on silicene is entirely different from their adsorption on graphene. The adsorption of Be, Mg, and Ca turns silicene into a narrow gap semiconductor. Adsorption characteristics of eight transition metals Ti, V, Cr, Mn, Fe, Co, Mo, and W are also investigated. As a result of their partially occupied d orbital, transition metals show diverse structural, electronic, and magnetic properties. Upon the adsorption of transition metals, depending on the adatom type and atomic radius, the system can exhibit metal, half-metal, and semiconducting behavior. For all metal adsorbates, the direction of the charge transfer is from adsorbate to silicene, because of its high surface reactivity. Our results indicate that the reactive crystal structure of silicene provides a rich playground for functionalization at nanoscale. DOI: 10.1103/PhysRevB.87.085423 |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000315146500008 |
Publication Date |
2013-02-19 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.836 |
Times cited |
281 |
Open Access |
|
|
| |
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl). Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H.S. is supported by a FWO Pegasus Marie Curie Fellowship. ; |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
|
| |
Call Number |
UA @ lucian @ c:irua:107663 |
Serial |
62 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Szumniak, P.; Bednarek, S.; Pawlowski, J.; Partoens, B. |
|
| |
Title |
All-electrical control of quantum gates for single heavy-hole spin qubits |
Type |
A1 Journal article |
| |
Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
|
| |
Volume |
87 |
Issue |
19 |
Pages |
195307-195312 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
In this paper several nanodevices which realize basic single heavy-hole qubit operations are proposed and supported by time-dependent self-consistent Poisson-Schrodinger calculations using a four band heavy-hole-light-hole model. In particular we propose a set of nanodevices which can act as Pauli X, Y, Z quantum gates and as a gate that acts similar to a Hadamard gate (i.e., it creates a balanced superposition of basis states but with an additional phase factor) on the heavy-hole spin qubit. We also present the design and simulation of a gated semiconductor nanodevice which can realize an arbitrary sequence of all these proposed single quantum logic gates. The proposed devices exploit the self-focusing effect of the hole wave function which allows for guiding the hole along a given path in the form of a stable solitonlike wave packet. Thanks to the presence of the Dresselhaus spin-orbit coupling, the motion of the hole along a certain direction is equivalent to the application of an effective magnetic field which induces in turn a coherent rotation of the heavy-hole spin. The hole motion and consequently the quantum logic operation is initialized only by weak static voltages applied to the electrodes which cover the nanodevice. The proposed gates allow for an all electric and ultrafast (tens of picoseconds) heavy-hole spin manipulation and give the possibility to implement a scalable architecture of heavy-hole spin qubits for quantum computation applications. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000319252200003 |
Publication Date |
2013-05-21 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.836 |
Times cited |
14 |
Open Access |
|
|
| |
Notes |
; This work was supported by the Polish National Science Center (Grant No. DEC-2011/03/N/ST3/02963), as well as by the “Krakow Interdisciplinary PhD-Project in Nanoscience and Advanced Nanostructures” operated within the Foundation for Polish Science MPD Programme, co-financed by the European Regional Development Fund. This research was supported in part by PL-Grid Infrastructure. ; |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
|
| |
Call Number |
UA @ lucian @ c:irua:109002 |
Serial |
88 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Sahin, H.; Tongay, S.; Horzum, S.; Fan, W.; Zhou, J.; Li, J.; Wu, J.; Peeters, F.M. |
|
| |
Title |
Anomalous Raman spectra and thickness-dependent electronic properties of WSe2 |
Type |
A1 Journal article |
| |
Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
|
| |
Volume |
87 |
Issue |
16 |
Pages |
165409-6 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
Typical Raman spectra of transition-metal dichalcogenides (TMDs) display two prominent peaks, E-2g and A(1g), that are well separated from each other. We find that these modes are degenerate in bulk WSe2 yielding one single Raman peak in contrast to other TMDs. As the dimensionality is lowered, the observed peak splits in two. In contrast, our ab initio calculations predict that the degeneracy is retained even for WSe2 monolayers. Interestingly, for minuscule biaxial strain, the degeneracy is preserved, but once the crystal symmetry is broken by a small uniaxial strain, the degeneracy is lifted. Our calculated phonon dispersion for uniaxially strained WSe2 shows a good match to the measured Raman spectrum, which suggests that uniaxial strain exists in WSe2 flakes, possibly induced during the sample preparation and/or as a result of the interaction between WSe2 and the substrate. Furthermore, we find that WSe2 undergoes an indirect-to-direct band-gap transition from bulk to monolayers, which is ubiquitous for semiconducting TMDs. These results not only allow us to understand the vibrational and electronic properties of WSe2, but also point to effects of the interaction between the monolayer TMDs and the substrate on the vibrational and electronic properties. DOI: 10.1103/PhysRevB.87.165409 |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000317195400007 |
Publication Date |
2013-04-05 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.836 |
Times cited |
365 |
Open Access |
|
|
| |
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem programme of the Flemish government. Computational resources were partially provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H. S. is supported by the FWO Pegasus Marie Curie Long Fellowship program. ; |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
|
| |
Call Number |
UA @ lucian @ c:irua:108471 |
Serial |
134 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Grujić, M.; Tadić, M.; Peeters, F.M. |
|
| |
Title |
Antiferromagnetism in hexagonal graphene structures : rings versus dots |
Type |
A1 Journal article |
| |
Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
|
| |
Volume |
87 |
Issue |
8 |
Pages |
085434-85436 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
Themean-field Hubbard model is used to investigate the formation of the antiferromagnetic phase in hexagonal graphene rings with inner zigzag edges. The outer edge of the ring was taken to be either zigzag or armchair, and we found that both types of structures can have a larger antiferromagnetic interaction as compared with hexagonal dots. This difference could be partially ascribed to the larger number of zigzag edges per unit area in rings than in dots. Furthermore, edge states localized on the inner ring edge are found to hybridize differently than the edge states of dots, which results in important differences in the magnetism of graphene rings and dots. The largest staggered magnetization is found when the outer edge has a zigzag shape. However, narrow rings with armchair outer edge are found to have larger staggered magnetization than zigzag hexagons. The edge defects are shown to have the least effect on magnetization when the outer ring edge is armchair shaped. DOI: 10.1103/PhysRevB.87.085434 |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000315146600005 |
Publication Date |
2013-02-20 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.836 |
Times cited |
29 |
Open Access |
|
|
| |
Notes |
; This work was supported by the EuroGRAPHENE programme of the ESF (project CONGRAN), the Serbian Ministry of Education, Science, and Technological Development, and the Flemish Science Foundation (FWO-VI). ; |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
|
| |
Call Number |
UA @ lucian @ c:irua:107661 |
Serial |
137 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Bogaerts, A.; Gijbels, R.; Serikov, V.V. |
|
| |
Title |
Calculation of gas heating in direct current argon glow discharges |
Type |
A1 Journal article |
| |
Year |
2000 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
|
| |
Volume |
87 |
Issue |
12 |
Pages |
8334-8344 |
|
| |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
| |
Abstract |
|
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
|
| |
Language |
|
Wos |
000087346400013 |
Publication Date |
2002-07-26 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0021-8979; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
2.068 |
Times cited |
63 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 2.068; 2000 IF: 2.180 |
|
| |
Call Number |
UA @ lucian @ c:irua:28327 |
Serial |
268 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Saniz, R.; Partoens, B.; Peeters, F.M. |
|
| |
Title |
Confinement effects on electron and phonon degrees of freedom in nanofilm superconductors : a Green function approach |
Type |
A1 Journal article |
| |
Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
|
| |
Volume |
87 |
Issue |
6 |
Pages |
064510-64513 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
The Green function approach to the Bardeen-Cooper-Schrieffer theory of superconductivity is used to study nanofilms. We go beyond previous models and include effects of confinement on the strength of the electron-phonon coupling as well as on the electronic spectrum and on the phonon modes. Within our approach, we find that in ultrathin films, confinement effects on the electronic screening become very important. Indeed, contrary to what has been advanced in recent years, the sudden increases of the density of states when new bands start to be occupied as the film thickness increases, tend to suppress the critical temperature rather than to enhance it. On the other hand, the increase of the number of phonon modes with increasing number of monolayers in the film leads to an increase in the critical temperature. As a consequence, the superconducting critical parameters in such nanofilms are determined by these two competing effects. Furthermore, in sufficiently thin films, the condensate consists of well-defined subcondensates associated with the occupied bands, each with a distinct coherence length. The subcondensates can interfere constructively or destructively giving rise to an interference pattern in the Cooper pair probability density. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000315374100009 |
Publication Date |
2013-02-25 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.836 |
Times cited |
6 |
Open Access |
|
|
| |
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl). R.S. thanks M. R. Norman, B. Soree, and L. Komendova for useful comments. ; |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
|
| |
Call Number |
UA @ lucian @ c:irua:107072 |
Serial |
487 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Dobrynin, A.N.; Ievlev, D.N.; Temst, K.; Lievens, P.; Margueritat, J.; Gonzalo, J.; Afonso, C.N.; Zhou, S.Q.; Vantomme, A.; Piscopiello, E.; Van Tendeloo, G. |
|
| |
Title |
Critical size for exchange bias in ferromagnetic-antiferromagnetic particles |
Type |
A1 Journal article |
| |
Year |
2005 |
Publication |
Applied physics letters |
Abbreviated Journal |
Appl Phys Lett |
|
| |
Volume |
87 |
Issue |
1 |
Pages |
012501,1-3 |
|
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
| |
Abstract |
|
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
|
| |
Language |
|
Wos |
000230277900029 |
Publication Date |
2005-06-28 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0003-6951; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.411 |
Times cited |
92 |
Open Access |
|
|
| |
Notes |
FWO; GOA/2004/02; IAP/P5/01; NanoCluster |
Approved |
Most recent IF: 3.411; 2005 IF: 4.127 |
|
| |
Call Number |
UA @ lucian @ c:irua:59052 |
Serial |
545 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Berdiyorov, G.R.; Doria, M.M.; de Romaguera, A.R.C.; Milošević, M.V.; Brandt, E.H.; Peeters, F.M. |
|
| |
Title |
Current-induced cutting and recombination of magnetic superconducting vortex loops in mesoscopic superconductor-ferromagnet heterostructures |
Type |
A1 Journal article |
| |
Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
|
| |
Volume |
87 |
Issue |
18 |
Pages |
184508-5 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
Vortex loops are generated by the inhomogeneous stray field of a magnetic dipole on top of a current-carrying mesoscopic superconductor. Cutting and recombination processes unfold under the applied drive, resulting in periodic voltage oscillations across the sample. We show that a direct and detectable consequence of the cutting and recombination of these vortex loops in the present setup is the onset of vortices at surfaces where they were absent prior to the application of the external current. The nonlinear dynamics of vortex loops is studied within the time-dependent Ginzburg-Landau theory to describe the profound three-dimensional features of their time evolution. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000319252000008 |
Publication Date |
2013-05-21 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.836 |
Times cited |
13 |
Open Access |
|
|
| |
Notes |
; This work was supported by the Flemish Science Foundation (FWO-VI) and the bilateral programme between Flanders and Brazil. G.R.B. acknowledges support from FWO-VI. A.R. de C.R. acknowledges CNPq for financial support. ; |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
|
| |
Call Number |
UA @ lucian @ c:irua:109648 |
Serial |
593 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Reijniers, J.; Peeters, F.M. |
|
| |
Title |
Diffusive transport in the hybrid Hall effect device |
Type |
A1 Journal article |
| |
Year |
2000 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
|
| |
Volume |
87 |
Issue |
|
Pages |
8088-8092 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT); Engineering Management (ENM) |
|
| |
Abstract |
|
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
|
| |
Language |
|
Wos |
000087067400075 |
Publication Date |
2002-07-26 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
0021-8979; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
2.068 |
Times cited |
12 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 2.068; 2000 IF: 2.180 |
|
| |
Call Number |
UA @ lucian @ c:irua:28516 |
Serial |
703 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Li, B.; Djotyan, A.P.; Hao, Y.L.; Avetisyan, A.A.; Peeters, F.M. |
|
| |
Title |
Effect of a perpendicular magnetic field on the shallow donor states near a semiconductor-metal interface |
Type |
A1 Journal article |
| |
Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
|
| |
Volume |
87 |
Issue |
7 |
Pages |
075313-75319 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
We investigate the influence of an external perpendicular magnetic field on the lowest-energy states of an electron bound to a donor which is located near a semiconductor-metal interface. The problem is treated within the effective mass approach and the lowest-energy states are obtained through (1) the “numerically exact” finite element method, and (2) a variational approach using a trial wave function where all image charges that emerge due to the presence of the metallic gate are taken into account. The trial wave functions are constructed such that they reduce to an exponential behavior for sufficiently small magnetic fields and become Gaussian for intermediate and large magnetic fields. The average electron-donor distance can be controlled by the external magnetic field. We find that the size of the 2p(z) state depends strongly on the magnetic field when the donor is close to the interface, showing a nonmonotonic behavior, in contrast with the ground and the other excited states. DOI: 10.1103/PhysRevB.87.075313 |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000314874800017 |
Publication Date |
2013-02-13 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.836 |
Times cited |
1 |
Open Access |
|
|
| |
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl). ; |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
|
| |
Call Number |
UA @ lucian @ c:irua:107664 |
Serial |
793 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Geurts, R.; Milošević, M.V.; Albino Aguiar, J.; Peeters, F.M. |
|
| |
Title |
Enhanced stability of vortex-antivortex states in two-component mesoscopic superconductors |
Type |
A1 Journal article |
| |
Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
|
| |
Volume |
87 |
Issue |
2 |
Pages |
024501-24508 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
Using the Ginzburg-Landau (GL) theory, we calculate the stability of sample symmetry-induced vortex-antivortex molecules in a mesoscopic superconducting bilayer exposed to a homogeneous magnetic field. We demonstrate the conditions under which the two condensates cooperatively broaden the field-temperature stability range of the composite (joint) vortex-antivortex state. In cases when such broadening is not achieved, a reentrance of the vortex-antivortex state is found at lower temperatures. In a large portion of the phase diagram noncomposite states are possible, in which the antivortex is present in only one of the layers. In this case, we demonstrate that the vortex-antivortex molecule in one of the layers can be pinned and enlarged by interaction with a vortex molecule in the other. Using analogies in the respective GL formalisms, we map our findings for the bilayer onto mesoscopic two-band superconductors. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000313029800003 |
Publication Date |
2013-01-04 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.836 |
Times cited |
25 |
Open Access |
|
|
| |
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vlaanderen), the Brazilian science agencies FACEPE/CNPq under Grant No. APQ-0589-1.05/08 and CNPq under Grant No. 309832/2007-1, and the CNPq-FWO cooperation program under Grant No. 490681/2010-7. M.V.M. acknowledges support from the CAPES-PVE program. ; |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
|
| |
Call Number |
UA @ lucian @ c:irua:105925 |
Serial |
1058 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Esfahani, D.N.; Covaci, L.; Peeters, F.M. |
|
| |
Title |
Field effect on surface states in a doped Mott-insulator thin film |
Type |
A1 Journal article |
| |
Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
|
| |
Volume |
87 |
Issue |
3 |
Pages |
035131-35136 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
Surface effects of a doped thin film made of a strongly correlated material are investigated both in the absence and presence of a perpendicular electric field. We use an inhomogeneous Gutzwiller approximation for a single-band Hubbard model in order to describe correlation effects. For low doping, the bulk value of the quasiparticle weight is recovered exponentially deep into the slab, but with increasing doping, additional Friedel oscillations appear near the surface. We show that the inverse correlation length has a power-law dependence on the doping level. In the presence of an electrical field, considerable changes in the quasiparticle weight can be realized throughout the system. We observe a large difference (as large as five orders of magnitude) in the quasiparticle weight near the opposite sides of the slab. This effect can be significant in switching devices that use the surface states for transport. DOI: 10.1103/PhysRevB.87.035131 |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000313941000001 |
Publication Date |
2013-01-29 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.836 |
Times cited |
4 |
Open Access |
|
|
| |
Notes |
; This work was supported by the Flemish Science Foundation (FWO-VI). ; |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
|
| |
Call Number |
UA @ lucian @ c:irua:110086 |
Serial |
1190 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Dixit, H.; Tandon, N.; Cottenier, S.; Saniz, R.; Lamoen, D.; Partoens, B. |
|
| |
Title |
First-principles study of possible shallow donors in ZnAl2O4 spinel |
Type |
A1 Journal article |
| |
Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
|
| |
Volume |
87 |
Issue |
17 |
Pages |
174101-174107 |
|
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
|
| |
Abstract |
ZnAl2O4 (gahnite) is a ceramic which is considered a possible transparent conducting oxide (TCO) due to its wide band gap and transparency for UV. Defects play an important role in controlling the conductivity of a TCO material along with the dopant, which is the main source of conductivity in an otherwise insulating oxide. A comprehensive first-principles density functional theory study for point defects in ZnAl2O4 spinel is presented using the Heyd, Scuseria, and Ernzerhof hybrid functional (HSE06) to overcome the band gap problem. We have investigated the formation energies of intrinsic defects which include the Zn, Al, and O vacancy and the antisite defects: Zn at the Al site (ZnAl) and Al at the Zn site (AlZn). The antisite defect AlZn has the lowest formation energy and acts as a shallow donor, indicating possible n-type conductivity in ZnAl2O4 spinel by Al doping. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000318653300001 |
Publication Date |
2013-05-08 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.836 |
Times cited |
50 |
Open Access |
|
|
| |
Notes |
Iwt; Fwo |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
|
| |
Call Number |
UA @ lucian @ c:irua:108769 |
Serial |
1219 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Van Duppen, B.; Peeters, F.M. |
|
| |
Title |
Four-band tunneling in bilayer graphene |
Type |
A1 Journal article |
| |
Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
|
| |
Volume |
87 |
Issue |
20 |
Pages |
205427-10 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
The conductance, the transmission, and the reflection probabilities through rectangular potential barriers and p-n junctions are obtained for bilayer graphene taking into account the four bands of the energy spectrum. We have evaluated the importance of the skew hopping parameters gamma(3) and gamma(4) to these properties and show that for energies E > gamma(1)/100 their effect is negligible. For high energies two modes of propagation exist and we investigate scattering between these modes. For perpendicular incidence both propagation modes are decoupled, and scattering between them is forbidden. This extends the concept of pseudospin as defined within the two-band approximation to a four-band model and corresponds to the (anti) symmetry of the wave functions under in-plane mirroring. New transmission resonances are found that appear as sharp peaks in the conductance which are absent in the two-band approximation. The application of an interlayer bias to the system (1) breaks the pseudospin structure, (2) opens a band gap that results in a distinct feature of suppressed transmission in the conductance, and (3) breaks the angular symmetry with respect to normal incidence in the transmission and reflection. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000319282000002 |
Publication Date |
2013-05-21 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.836 |
Times cited |
37 |
Open Access |
|
|
| |
Notes |
; This work was supported by the European Science Foundation (ESF) under the EUROCORES Program Euro-GRAPHENE within the project CONGRAN, the Flemish Science Foundation (FWO-Vl) by an aspirant research grant to B. Van Duppen and the Methusalem Programme of the Flemish Government. ; |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
|
| |
Call Number |
UA @ lucian @ c:irua:109001 |
Serial |
1269 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Abakumov, A.M.; Batuk, D.; Tsirlin, A.A.; Prescher, C.; Dubrovinsky, L.; Sheptyakov, D.V.; Schnelle, W.; Hadermann, J.; Van Tendeloo, G. |
|
| |
Title |
Frustrated pentagonal Cairo lattice in the non-collinear antiferromagnet Bi4Fe5O13F |
Type |
A1 Journal article |
| |
Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
|
| |
Volume |
87 |
Issue |
2 |
Pages |
024423-24429 |
|
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
| |
Abstract |
We report on the crystal structure and magnetism of the iron-based oxyfluoride Bi4Fe5O13F, a material prototype of the Cairo pentagonal spin lattice. The crystal structure of Bi4Fe5O13F is determined by a combination of neutron diffraction, synchrotron x-ray diffraction, and transmission electron microscopy. It comprises layers of FeO6 octahedra and FeO4 tetrahedra forming deformed pentagonal units. The topology of these layers resembles a pentagonal least-perimeter tiling, which is known as the Cairo lattice. This topology gives rise to frustrated exchange couplings and underlies a sequence of magnetic transitions at T-1 = 62 K, T-2 = 71 K, and T-N = 178 K, as determined by thermodynamic measurements and neutron diffraction. Below T-1, Bi4Fe5O13F forms a fully ordered non-collinear antiferromagnetic structure, whereas the magnetic state between T-1 and T-N may be partially disordered according to the sizable increase in the magnetic entropy at T-1 and T-2. Bi4Fe5O13F reveals unanticipated magnetic transitions on the pentagonal Cairo spin lattice and calls for a further work on finite-temperature properties of this strongly frustrated spin model. DOI: 10.1103/PhysRevB.87.024423 |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000314224800002 |
Publication Date |
2013-02-01 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.836 |
Times cited |
17 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
|
| |
Call Number |
UA @ lucian @ c:irua:107688 |
Serial |
1293 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
De Beule, C.; Partoens, B. |
|
| |
Title |
Gapless interface states at the junction between two topological insulators |
Type |
A1 Journal article |
| |
Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
|
| |
Volume |
87 |
Issue |
11 |
Pages |
115113-115116 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
We consider a junction between two topological insulators and calculate the properties of the interface states with an effective low-energy Hamiltonian for topological insulators with a single cone on the surface. This system bears a close resemblance to bilayer graphene, as both result from the hybridization of Dirac cones. We find gapless interface states not only when the helicity directions of the topological surface states are oppositely oriented, but they can also exist if they are equally oriented. Furthermore, we find that the existence of the interface states can be understood from the closing of the bulk gap when the helicity changes orientation. Recently superluminal tachyonic excitations were also claimed to exist at the interface between topological insulators. However, here we show that these interface states do not exist. DOI: 10.1103/PhysRevB.87.115113 |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000316101100002 |
Publication Date |
2013-03-08 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.836 |
Times cited |
8 |
Open Access |
|
|
| |
Notes |
; The authors would like to thank Dr. O. Leenaerts for the helpful discussions. This work was supported by the Research Foundation Flanders (FWO). ; |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
|
| |
Call Number |
UA @ lucian @ c:irua:108282 |
Serial |
1316 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Orlova, N.V.; Shanenko, A.A.; Milošević, M.V.; Peeters, F.M.; Vagov, A.V.; Axt, V.M. |
|
| |
Title |
Ginzburg-Landau theory for multiband superconductors : microscopic derivation |
Type |
A1 Journal article |
| |
Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
|
| |
Volume |
87 |
Issue |
13 |
Pages |
134510-134518 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
A procedure to derive the Ginzburg-Landau (GL) theory from the multiband BCS Hamiltonian is developed in a general case with an arbitrary number of bands and arbitrary interaction matrix. It combines the standard Gor'kov truncation and a subsequent reconstruction in order to match accuracies of the obtained terms. This reconstruction recovers the phenomenological GL theory as obtained from the Landau model of phase transitions but offers explicit microscopic expressions for the relevant parameters. Detailed calculations are presented for a three-band system treated as a prototype multiband superconductor. It is demonstrated that the symmetry in the coupling matrix may lead to the chiral ground state with the phase frustration, typical for systems with broken time-reversal symmetry. DOI: 10.1103/PhysRevB.87.134510 |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000317586700002 |
Publication Date |
2013-04-16 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.836 |
Times cited |
57 |
Open Access |
|
|
| |
Notes |
; This work was supported by the “Odysseus” Program of the Flemish Government and the Flemish Science Foundation (FWO-Vl). A.A.S. acknowledges useful discussions with D. Neilson. ; |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
|
| |
Call Number |
UA @ lucian @ c:irua:108464 |
Serial |
1344 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Rossi, E.H.M.; Van Tendeloo, G.; Rosenauer, A. |
|
| |
Title |
Influence of strain, specimen orientation and background estimation on composition evaluation of InAs/GaAs by TEM |
Type |
A1 Journal article |
| |
Year |
2007 |
Publication |
Philosophical magazine |
Abbreviated Journal |
Philos Mag |
|
| |
Volume |
87 |
Issue |
29 |
Pages |
4461-4473 |
|
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
| |
Abstract |
|
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
London |
Editor |
|
|
| |
Language |
|
Wos |
000249890700003 |
Publication Date |
2007-09-04 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1478-6435;1478-6443; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
1.505 |
Times cited |
1 |
Open Access |
|
|
| |
Notes |
|
Approved |
Most recent IF: 1.505; 2007 IF: 1.486 |
|
| |
Call Number |
UA @ lucian @ c:irua:66612 |
Serial |
1638 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Ding, J.F.; Lebedev, O.I.; Turner, S.; Tian, Y.F.; Hu, W.J.; Seo, J.W.; Panagopoulos, C.; Prellier, W.; Van Tendeloo, G.; Wu, T. |
|
| |
Title |
Interfacial spin glass state and exchange bias in manganite bilayers with competing magnetic orders |
Type |
A1 Journal article |
| |
Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
|
| |
Volume |
87 |
Issue |
5 |
Pages |
054428-7 |
|
| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
| |
Abstract |
The magnetic properties of manganite bilayers composed of G-type antiferromagnetic (AFM) SrMnO3 and double-exchange ferromagnetic (FM) La0.7Sr0.3MnO3 are studied. A spin-glass state is observed as a result of competing magnetic orders and spin frustration at the La0.7Sr0.3MnO3/SrMnO3 interface. The dependence of the irreversible temperature on the cooling magnetic field follows the Almeida-Thouless line. Although an ideal G-type AFM SrMnO3 is featured with a compensated spin configuration, the bilayers exhibit exchange bias below the spin glass freezing temperature, which is much lower than the Néel temperature of SMO, indicating that the exchange bias is strongly correlated with the spin glass state. The results indicate that the spin frustration that originates from the competition between the AFM super-exchange and the FM double-exchange interactions can induce a strong magnetic anisotropy at the La0.7Sr0.3MnO3/SrMnO3 interface. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000315271200002 |
Publication Date |
2013-02-22 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.836 |
Times cited |
98 |
Open Access |
|
|
| |
Notes |
FWO; COUNTATOMS; Hercules |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
|
| |
Call Number |
UA @ lucian @ c:irua:107349 |
Serial |
1696 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Singh, S.K.; Neek-Amal, M.; Peeters, F.M. |
|
| |
Title |
Melting of graphene clusters |
Type |
A1 Journal article |
| |
Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
|
| |
Volume |
87 |
Issue |
13 |
Pages |
134103-134109 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
Density-functional tight-binding and classical molecular dynamics simulations are used to investigate the structural deformations and melting of planar carbon nanoclusters C-N with N = 2-55. The minimum-energy configurations for different clusters are used as starting configurations for the study of the temperature effects on the bond breaking and rotation in carbon lines (N < 6), carbon rings (5 < N < 19), and graphene nanoflakes. The larger the rings (graphene nanoflakes) the higher the transition temperature (melting point) with ring-to-line (perfect-to-defective) transition structures. The melting point was obtained by using the bond energy, the Lindemann criteria, and the specific heat. We found that hydrogen-passivated graphene nanoflakes (CNHM) have a larger melting temperature with a much smaller dependence on size. The edges in the graphene nanoflakes exhibit several different metastable configurations (isomers) during heating before melting occurs. DOI: 10.1103/PhysRevB.87.134103 |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000317390700001 |
Publication Date |
2013-04-11 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.836 |
Times cited |
28 |
Open Access |
|
|
| |
Notes |
; This work was supported by the EU-Marie Curie IIF Postdoctoral Fellowship No. 299855 (for M.N.-A.), the ESF-EuroGRAPHENE Project CONGRAN, the Flemish Science Foundation (FWO-Vl), and the Methusalem Foundation of the Flemish Government. ; |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
|
| |
Call Number |
UA @ lucian @ c:irua:108467 |
Serial |
1987 |
|
| Permanent link to this record |
| |
|
| |
|
Author |
Van Duppen, B.; Sena, S.H.R.; Peeters, F.M. |
|
| |
Title |
Multiband tunneling in trilayer graphene |
Type |
A1 Journal article |
| |
Year |
2013 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
|
| |
Volume |
87 |
Issue |
19 |
Pages |
195439-10 |
|
| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
| |
Abstract |
The electronic tunneling properties of the two stable forms of trilayer graphene (TLG), rhombohedral ABC and Bernal ABA, are examined for p-n and p-n-p junctions as realized by using a single gate (SG) or a double gate (DG). For the rhombohedral form, due to the chirality of the electrons, the Klein paradox is found at normal incidence for SG devices, while at high-energy interband scattering between additional propagation modes can occur. The electrons in Bernal ABA TLG can have a monolayer- or bilayer-like character when incident on a SG device. Using a DG, however, both propagation modes will couple by breaking the mirror symmetry of the system, which induces intermode scattering and resonances that depend on the width of the DG p-n-p junction. For ABC TLG the DG opens up a band gap which suppresses Klein tunneling. The DG induces also an unexpected asymmetry in the tunneling angle for single-valley electrons. |
|
| |
Address |
|
|
| |
Corporate Author |
|
Thesis |
|
|
| |
Publisher |
|
Place of Publication |
|
Editor |
|
|
| |
Language |
|
Wos |
000319281700004 |
Publication Date |
2013-05-23 |
|
| |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
| |
Series Volume |
|
Series Issue |
|
Edition |
|
|
| |
ISSN |
1098-0121;1550-235X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
| |
Impact Factor |
3.836 |
Times cited |
13 |
Open Access |
|
|
| |
Notes |
; This work was supported by the European Science Foundation (ESF) under the EUROCORES Program EuroGRAPHENE within the project CONGRAN, the Flemish Science Foundation (FWO-VI) by an aspirant research grant to B. Van Duppen and the Methusalem Programme of the Flemish Government. ; |
Approved |
Most recent IF: 3.836; 2013 IF: 3.664 |
|
| |
Call Number |
UA @ lucian @ c:irua:108998 |
Serial |
2216 |
|
| Permanent link to this record |
