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Author Barreca, D.; Carraro, G.; Gasparotto, A.; Maccato, C.; Altantzis, T.; Sada, C.; Kaunisto, K.; Ruoko, T.-P.; Bals, S.
  Title Vapor Phase Fabrication of Nanoheterostructures Based on ZnO for Photoelectrochemical Water Splitting Type A1 Journal article
  Year 2017 Publication Advanced Materials Interfaces Abbreviated Journal Adv Mater Interfaces
  Volume 4 Issue 4 Pages 1700161
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Nanoheterostructures based on metal oxide semiconductors have emerged

as promising materials for the conversion of sunlight into chemical energy.

In the present study, ZnO-based nanocomposites have been developed by

a hybrid vapor phase route, consisting in the chemical vapor deposition

of ZnO systems on fluorine-doped tin oxide substrates, followed by the

functionalization with Fe2O3 or WO3 via radio frequency-sputtering. The

target systems are subjected to thermal treatment in air both prior and after

sputtering, and their properties, including structure, chemical composition,

morphology, and optical absorption, are investigated by a variety of characterization

methods. The obtained results evidence the formation of highly

porous ZnO nanocrystal arrays, conformally covered by an ultrathin Fe2O3

or WO3 overlayer. Photocurrent density measurements for solar-triggered

water splitting reveal in both cases a performance improvement with respect

to bare zinc oxide, that is mainly traced back to an enhanced separation of

photogenerated charge carriers thanks to the intimate contact between the

two oxides. This achievement can be regarded as a valuable result in view of

future optimization of similar nanoheterostructured photoanodes.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000411525700007 Publication Date 2017-05-15
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2196-7350 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor (down) 4.279 Times cited 30 Open Access OpenAccess
  Notes The authors kindly acknowledge the financial support under Padova University ex-60% 2013–2016, P-DiSC #SENSATIONAL BIRD2016- UNIPD projects and the post-doc fellowship ACTION. S.B. acknowledges financial support from the European Research Council (Starting Grant No. COLOURATOM 335078) and T.A. acknowledges funding from the Research Foundation Flanders (FWO, Belgium) through a postdoctoral grant. Many thanks are also due to Dr. Rosa Calabrese (Department of Chemistry, Padova University, Italy) for experimental assistance. (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); saraecas; ECAS_Sara; Approved Most recent IF: 4.279
  Call Number EMAT @ emat @c:irua:146104UA @ admin @ c:irua:146104 Serial 4731
Permanent link to this record
 

 
Author Li, L.; Liao, Z.; Gauquelin, N.; Minh Duc Nguyen; Hueting, R.J.E.; Gravesteijn, D.J.; Lobato, I.; Houwman, E.P.; Lazar, S.; Verbeeck, J.; Koster, G.; Rijnders, G.
  Title Epitaxial stress-free growth of high crystallinity ferroelectric PbZr0.52Ti0.48O3 on GaN/AlGaN/Si(111) substrate Type A1 Journal article
  Year 2018 Publication Advanced Materials Interfaces Abbreviated Journal Adv Mater Interfaces
  Volume 5 Issue 2 Pages 1700921
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract <script type='text/javascript'>document.write(unpmarked('Due to its physical properties gallium-nitride (GaN) is gaining a lot of attention as an emerging semiconductor material in the field of high-power and high-frequency electronics applications. Therefore, the improvement in the performance and/or perhaps even extension in functionality of GaN based devices would be highly desirable. The integration of ferroelectric materials such as lead-zirconate-titanate (PbZrxTi1-xO3) with GaN has a strong potential to offer such an improvement. However, the large lattice mismatch between PZT and GaN makes the epitaxial growth of Pb(Zr1-xTix)O-3 on GaN a formidable challenge. This work discusses a novel strain relaxation mechanism observed when MgO is used as a buffer layer, with thicknesses down to a single unit cell, inducing epitaxial growth of high crystallinity Pb(Zr0.52Ti0.48)O-3 (PZT) thin films. The epitaxial PZT films exhibit good ferroelectric properties, showing great promise for future GaN device applications.'));
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  Publisher Place of Publication Editor
  Language Wos 000423173800005 Publication Date 2017-11-27
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2196-7350 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor (down) 4.279 Times cited 15 Open Access Not_Open_Access
  Notes ; L.L., Z.L.L., and N.G. contributed equally to this work. L.L. acknowledges financial support from Nano Next NL (Grant no. 7B 04). The authors acknowledge NXP for providing the GaN/AlGaN/Si (111) wafer. N.G. acknowledges funding from the Geconcentreerde Onderzoekacties (GOA) project “Solarpaint” of the University of Antwerp and J.V. acknowledges funding from the Research Foundation Flanders (FWO, Belgium) project 42/FA070100/6088 “nieuwe eigenschappen in complexe Oxides.” N.G. acknowledges the EUROTAPES project (FP7-NMP.2011.2.2-1 Grant no. 280432) which partly funded this study. ; Approved Most recent IF: 4.279
  Call Number UA @ lucian @ c:irua:148427UA @ admin @ c:irua:148427 Serial 4872
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Author Vishwakarma, M.; Kumar, M.; Hendrickx, M.; Hadermann, J.; Singh, A.P.; Batra, Y.; Mehta, B.R.
  Title Enhancing the hydrogen evolution properties of kesterite absorber by Si-doping in the surface of CZTS thin film Type A1 Journal article
  Year 2021 Publication Advanced Materials Interfaces Abbreviated Journal Adv Mater Interfaces
  Volume Issue Pages 2002124
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract In this work, the effects of Si-doping in Cu2ZnSnS4 are examined computationally and experimentally. The density functional theory calculations show that an increasing concentration of Si (from x = 0 to x = 1) yields a band gap rise due to shifting of the conduction band minimum towards higher energy states in the Cu2Zn(Sn1-xSix)S-4. CZTSiS thin film prepared by co-sputtering process shows Cu2Zn(Sn1-xSix)S-4 (Si-rich) and Cu2ZnSnS4 (S-rich) kesterite phases on the surface and in the bulk of the sample, respectively. A significant change in surface electronic properties is observed in CZTSiS thin film. Si-doping in CZTS inverts the band bending at grain-boundaries from downward to upward and the Fermi level of CZTSiS shifts upward. Further, the coating of the CdS and ZnO layer improves the photocurrent to approximate to 5.57 mA cm(-2) at -0.41 V-RHE in the CZTSiS/CdS/ZnO sample, which is 2.39 times higher than that of pure CZTS. The flat band potential increases from CZTS approximate to 0.43 V-RHE to CZTSiS/CdS/ZnO approximate to 1.31 V-RHE indicating the faster carrier separation process at the electrode-electrolyte interface in the latter sample. CdS/ZnO layers over CZTSiS significantly reduce the charge transfer resistance at the semiconductor-electrolyte interface.
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  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000635804900001 Publication Date 2021-04-02
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2196-7350 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor (down) 4.279 Times cited Open Access OpenAccess
  Notes Approved Most recent IF: 4.279
  Call Number UA @ admin @ c:irua:177688 Serial 6780
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Author Bartolome, E.; Cayado, P.; Solano, E.; Mocuta, C.; Ricart, S.; Mundet, B.; Coll, M.; Gazquez, J.; Meledin, A.; Van Tendeloo, G.; Valvidares, S.M.; Herrero-Martin, J.; Gargiani, P.; Pellegrin, E.; Magen, C.; Puig, T.; Obradors, X.
  Title Hybrid YBa2Cu3O7 superconducting-ferromagnetic nanocomposite thin films prepared from colloidal chemical solutions Type A1 Journal article
  Year 2017 Publication Advanced Electronic Materials Abbreviated Journal Adv Electron Mater
  Volume 3 Issue 7 Pages 1700037
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract High T-c superconductor-ferromagnetic heterostructures constitute an appealing playground to study the interplay between flux vortices and magnetic moments. Here, the capability of a solution-derived route to grow hybrid YBa2Cu3O7-ferromagnetic nanocomposite epitaxial thin films from preformed spinel ferrite (MFe2O4, M = Mn, Co) nanoparticles (NPs) is explored. The characterization, performed using a combination of structural and magnetic techniques, reveals the complexity of the resulting nanocomposites. Results show that during the YBCO growth process, most of the NPs evolve to ferromagnetic double-perovskite (DP) phases (YBaCu2-x-yFexCoyO5/YBaCoFeO5), while a residual fraction of preformed ferrite NPs may remain in the YBCO matrix. Magnetometry cycles reflect the presence of ferromagnetic structures associated to the DPs embedded in the superconducting films. In addition, a superparamagnetic signal that may be associated with a diluted system of ferromagnetic clusters around complex defects has been detected, as previously observed in standard YBCO films and nanocomposites. The hybrid nanocomposites described in this work will allow studying several fundamental issues like the nucleation of superconductivity and the mechanisms of magnetic vortex pinning in superconducting/ferromagnetic heterostructures.
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  Publisher Place of Publication Editor
  Language Wos 000405205300010 Publication Date 2017-05-25
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2199-160x ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor (down) 4.193 Times cited 7 Open Access Not_Open_Access
  Notes ; The authors acknowledge financial support from Spanish Ministry of Economy and Competitiveness through the “Severo Ochoa” Programme for Centres of Excellence in R& D (SEV-2015-0496), CONSOLIDER Excellence Network (MAT2015-68994-REDC), COACHSUPENERGY project (MAT2014-51778-C21-R, cofinanced by the European Regional Development Fund), and from the Catalan Government with 2014-SGR753 and Xarmae. Some of the electron microscopy work has also been conducted in the Laboratorio de Microscopias Avanzadas (LMA) at Instituto de Nanociencia de Aragcn (INA) at the University of Zaragoza. Part of the electron microscopy work in EMAT group ( University of Antwerp) was performed within the framework of the EUROTAPES project (FP7-NMP. 2011.2.2-1 Grant No. 280432), funded by the European Union. Work at INA-LMA was supported by NanoAraCat. Research at UCM (J.S.) was supported by the ERC starting Investigator Award, Grant No. 239739 STEMOX and Juan de la Cierva Program JCI2011-09428 (MICINN-Spain). The XMCD experiments were performed at the BOREAS beamline of the ALBA Synchrotron Light Facility with the collaboration of ALBA staff. The authors would like to thank SOLEIL synchrotron for allocating beamtime and the DiffAbs beamline staff for help during the experiments. ; Approved Most recent IF: 4.193
  Call Number UA @ lucian @ c:irua:144852 Serial 4719
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Author Bafekry, A.; Stampfl, C.; Shayesteh, S.F.; Peeters, F.M.
  Title Exploiting the novel electronic and magnetic structure of C3Nvia functionalization and conformation Type A1 Journal article
  Year 2019 Publication Advanced Electronic Materials Abbreviated Journal Adv Electron Mater
  Volume 5 Issue 5 Pages 1900459
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
  Abstract 2D polyaniline, C3N, is of recent high interest due to its unusual properties and potential use in various technological applications. In this work, through systematic first-principles calculations, the atomic, electronic, and magnetic structure of C3N and the changes induced due to functionalization by the adsorption of hydrogen, oxygen, and fluorine, for different coverages and sites, as well as on formation of nanoribbons including the effect of adsorbed hydrogen and oxygen, and the effect of strain, are investigated. Among other interesting phenomena, for hydrogen adsorption, a semiconductor-to-topological insulator transition, where two Dirac-points appear around the Fermi level, as well as ferromagnetic ordering for both hydrogen and oxygen functionalization, is identified. Considering C3N nanoribbons, adsorption of H leads to significant changes in the electronic properties, such as transforming the structures from semiconductor to metallic. Furthermore, investigating the effect of strain on the physical properties, it is found that the band gap can be significantly altered and controlled. The present findings predict that a wide variation in the magnetic and electronic structure of C3N can be achieved by adatom functionalization and conformation indicating its high potential for use in various technological applications, ranging from catalysis, energy storage, and nanoelectronic devices.
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  Publisher Place of Publication Editor
  Language Wos 000486528200001 Publication Date 2019-09-13
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2199-160x ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor (down) 4.193 Times cited 39 Open Access
  Notes ; This work was supported by the FLAG-ERA project 2DTRANS and the Flemish Science Foundation (FWO-Vl). In addition, we acknowledge the OpenMX team for OpenMX code. ; Approved Most recent IF: 4.193
  Call Number UA @ admin @ c:irua:162790 Serial 5414
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Author Khalil-Allafi, J.; Amin-Ahmadi, B.; Zare, M.
  Title Biocompatibility and corrosion behavior of the shape memory NiTi alloy in the physiological environments simulated with body fluids for medical applications Type A1 Journal article
  Year 2010 Publication Materials science and engineering: part C: biomimetic materials Abbreviated Journal Mat Sci Eng C-Mater
  Volume 30 Issue 8 Pages 1112-1117
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Due to unique properties of NiTi shape memory alloys such as high corrosion resistance, biocompatibility, super elasticity and shape memory behavior, NiTi shape memory alloys are suitable materials for medical applications. Although TiO2 passive layer in these alloys can prevent releasing of nickel to the environment, high nickel content and stability of passive layer in these alloys are very debatable subjects. In this study a NiTi shape memory alloy with nominal composition of 50.7 atom% Ni was investigated by corrosion tests. Electrochemical tests were performed in two physiological environments of Ringer solution and NaCl 0.9% solution. Results indicate that the breakdown potential of the NiTi alloy in NaCl 0.9% solution is higher than that in Ringer solution. The results of Scanning Electron Microscope (SEM) reveal that low pitting corrosion occurred in Ringer solution compared with NaCl solution at potentiostatic tests. The pH value of the solutions increases after the electrochemical tests. The existence of hydride products in the X-ray diffraction analysis confirms the decrease of the concentration of hydrogen ion in solutions. Topographical evaluations show that corrosion products are nearly same in all samples. The biocompatibility tests were performed by reaction of mouse fibroblast cells (L929). The growth and development of cells for different times were measured by numbering the cells or statistics investigations. The figures of cells for different times showed natural growth of cells. The different of the cell numbers between the test specimen and control specimen was negligible; therefore it may be concluded that the NiTi shape memory alloy is not toxic in the physiological environments simulated with body fluids.
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  Corporate Author Thesis
  Publisher Place of Publication Lausanne Editor
  Language Wos 000282905600006 Publication Date 2010-06-23
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0928-4931; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor (down) 4.164 Times cited 34 Open Access
  Notes Approved Most recent IF: 4.164; 2010 IF: 2.180
  Call Number UA @ lucian @ c:irua:122039 Serial 242
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Author Biró, L.P.; Khanh, N.Q.; Vértesy, Z.; Horváth, Z.E.; Osváth, Z.; Koós, A.; Gyulai, J.; Kocsonya, A.; Kónya, Z.; Zhang, X.B.; Van Tendeloo, G.; Fonseca, A.; Nagy, J.B.;
  Title Catalyst traces and other impurities in chemically purified carbon nanotubes grown by CVD Type A1 Journal article
  Year 2002 Publication Materials science and engineering: part C: biomimetic materials T2 – EMRS Spring Meeting, JUN 05-08, 2001, STRASBOURG, FRANCE Abbreviated Journal Mat Sci Eng C-Mater
  Volume 19 Issue 1-2 Pages 9-13
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Multiwall carbon nanotubes grown by the catalytic decomposition of acetylene over supported Co catalyst were subjected to wet and dry oxidation in order to remove the unwanted products and the catalyst traces. The effects of the purification treatment on the Co content was monitored by physical methods: Rutherford Backscattering Spectrometry (RBS). Particle Induced X-Ray Emission (PIXE) and X-Ray Fluorescence (XRF). The purified products were investigated by microscopic methods: TEM. Scanning Electron Microscopy (SEM), Energy Dispersive Spectroscopy (EDS) and STM. The KMnO4/H2SO4 aqueous oxidation procedure was found to be effective in reducing the Co content while damaging only moderately the outer wall of the nanotubes. Treatment in HNO3/H2SO4 yields a bucky-paper like product and produces the increase of the Si and S content of the sample. (C) 2002 Elsevier Science B.V. All rights reserved.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Lausanne Editor
  Language Wos 000173080700003 Publication Date 2002-07-25
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0928-4931; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor (down) 4.164 Times cited 36 Open Access
  Notes Approved Most recent IF: 4.164; 2002 IF: 0.734
  Call Number UA @ lucian @ c:irua:102835 Serial 289
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Author Neira, I.S.; Kolen'ko, Y.V.; Lebedev, O.I.; Van Tendeloo, G.; Gupta, H.S.; Matsushita, N.; Yoshimura, M.; Guitian, F.
  Title Rational synthesis of a nanocrystalline calcium phosphate cement exhibiting rapid conversion to hydroxyapatite Type A1 Journal article
  Year 2009 Publication Materials science and engineering: part C: biomimetic materials Abbreviated Journal Mat Sci Eng C-Mater
  Volume 29 Issue 7 Pages 2124-2132
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract The rational synthesis, comprehensive characterization, and mechanical and micromechanical properties of a calcium phosphate cement are presented. Hydroxyapatite cement biomaterial was synthesized from reactive sub-micrometer-sized dicalcium phosphate dihydrate and tetracalcium phosphate via a dissolution-precipitation reaction using water as the liquid phase. As a result nanostructured, Ca-deficient and carbonated B-type hydroxyapatite is formed. The cement shows good processibility, sets in 22 ± 2 min and entirely transforms to the end product after 6 h of setting reaction, one of the highest conversion rates among previously reported for calcium phosphate cements based on dicalcium and tetracalcium phosphates. The combination of all elucidated physical-chemical traits leads to an essential bioactivity and biocompatibility of the cement, as revealed by in vitro acellular simulated body fluid and cell culture studies. The compressive strength of the produced cement biomaterial was established to be 25 ± 3 MPa. Furthermore, nanoindentation tests were performed directly on the cement to probe its local elasticity and plasticity at sub-micrometer/micrometer level. The measured elastic modulus and hardness were established to be Es = 23 ± 3.5 and H = 0.7 ± 0.2 GPa, respectively. These values are in close agreement with those reported in literature for trabecular and cortical bones, reflecting good elastic and plastic coherence between synthesized cement biomaterial and human bones.
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  Corporate Author Thesis
  Publisher Place of Publication Lausanne Editor
  Language Wos 000270159200008 Publication Date 2009-04-20
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0928-4931; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor (down) 4.164 Times cited 18 Open Access
  Notes Esteem 026019 Approved Most recent IF: 4.164; 2009 IF: NA
  Call Number UA @ lucian @ c:irua:79312 Serial 2812
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Author Voss, A.; Wei, H.Y.; Zhang, Y.; Turner, S.; Ceccone, G.; Reithmaier, J.P.; Stengl, M.; Popov, C.
  Title Strong attachment of circadian pacemaker neurons on modified ultrananocrystalline diamond surfaces Type A1 Journal article
  Year 2016 Publication Materials science and engineering: part C: biomimetic materials Abbreviated Journal Mat Sci Eng C-Mater
  Volume 64 Issue 64 Pages 278-285
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Diamond is a promising material for a number of bio-applications, including the fabrication of platforms for attachment and investigation of neurons and of neuroprostheses, such as retinal implants. In the current work ultrananocrystalline diamond (UNCD) films were deposited by microwave plasma chemical vapor deposition, modified by UV/O-3 treatment or NH3 plasma, and comprehensively characterized with respect to their bulk and surface properties, such as crystallinity, topography, composition and chemical bonding nature. The interactions of insect circadian pacemaker neurons with UNCD surfaces with H-, O- and NH2-terminations were investigated with respect to cell density and viability. The fast and strong attachment achieved without application of adhesion proteins allowed for advantageous modification of dispersion protocols for the preparation of primary cell cultures. Centrifugation steps, which are employed for pelletizing dispersed cells to separate them from dispersing enzymes, easily damage neurons. Now centrifugation can be avoided since dispersed neurons quickly and strongly attach to the UNCD surfaces. Enzyme solutions can be easily washed off without losing many of the dispersed cells. No adverse effects on the cell viability and physiological responses were observed as revealed by calcium imaging. Furthermore, the enhanced attachment of the neurons, especially on the modified UNCD surfaces, was especially advantageous for the immunocytochemical procedures with the cell cultures. The cell losses during washing steps were significantly reduced by one order of magnitude in comparison to controls. In addition, the integration of a titanium grid structure under the UNCD films allowed for individual assignment of physiologically characterized neurons to immunocytochemically stained cells. Thus, employing UNCD surfaces free of foreign proteins improves cell culture protocols and immunocytochemistry with cultured cells. The fast and strong attachment of neurons was attributed to a favorable combination of topography, surface chemistry and wettability. (C) 2016 Elsevier B.V. All rights reserved.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Lausanne Editor
  Language Wos 000376547700033 Publication Date 2016-03-26
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0928-4931 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor (down) 4.164 Times cited 7 Open Access
  Notes Approved Most recent IF: 4.164
  Call Number UA @ lucian @ c:irua:134164 Serial 4251
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Author Xiao, H.; Zhang, Z.; Xu, W.; Wang, Q.; Xiao, Y.; Ding, L.; Huang, J.; Li, H.; He, B.; Peeters, F.M.
  Title Terahertz optoelectronic properties of synthetic single crystal diamond Type A1 Journal article
  Year 2023 Publication Diamond and related materials Abbreviated Journal
  Volume 139 Issue Pages 110266-110268
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract A systematic investigation is undertaken for studying the optoelectronic properties of single crystal diamond (SCD) grown by microwave plasma chemical vapor deposition (MPCVD). It is indicated that, without intentional doping and surface treatment during the sample growth, the terahertz (THz) optical conduction in SCD is mainly affected by surface H-terminations, -OH-, O- and N-based functional groups. By using THz time-domain spectroscopy (TDS), we measure the transmittance, the complex dielectric constant and optical conductivity σ(ω) of SCD. We find that SCD does not show typical semiconductor characteristics in THz regime, where σ(ω) cannot be described rightly by the conventional Drude formula. Via fitting the real and imaginary parts of σ(ω) to the Drude-Smith formula, the ratio of the average carrier density to the effective electron mass γ = ne/m*, the electronic relaxation time τ and the electronic backscattering or localization factor can be determined optically. The temperature dependence of these parameters is examined. From the temperature dependence of γ, a metallic to semiconductor transition is observed at about T = 10 K. The temperature dependence of τ is mainly induced by electron coupling with acoustic-phonons and there is a significant effect of photon-induced electron backscattering or localization in SCD. This work demonstrates that THz TDS is a powerful technique in studying SCD which contains H-, N- and O-based bonds and has low electron density and high dc resistivity. The results obtained from this study can benefit us to gain an in-depth understanding of SCD and may provide new guidance for the application of SCD as electronic, optical and optoelectronic materials.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos Publication Date 2023-08-02
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0925-9635 ISBN Additional Links UA library record
  Impact Factor (down) 4.1 Times cited Open Access
  Notes Approved Most recent IF: 4.1; 2023 IF: 2.561
  Call Number UA @ admin @ c:irua:200920 Serial 9103
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Author Zhang, F.; Inokoshi, M.; Batuk, M.; Hadermann, J.; Naert, I.; Van Meerbeek, B.; Vleugels, J.
  Title Strength, toughness and aging stability of highly-translucent Y-TZP ceramics for dental restorations Type A1 Journal article
  Year 2016 Publication Dental Materials Abbreviated Journal Dent Mater
  Volume 32 Issue 32 Pages e327-e337
  Keywords A1 Journal article; Electron Microscopy for Materials Science (EMAT);
  Abstract OBJECTIVE: The aim was to evaluate the optical properties, mechanical properties and aging stability of yttria-stabilized zirconia with different compositions, highlighting the influence of the alumina addition, Y2O3 content and La2O3 doping on the translucency. METHODS: Five different Y-TZP zirconia powders (3 commercially available and 2 experimentally modified) were sintered under the same conditions and characterized by X-ray diffraction with Rietveld analysis and scanning electron microscopy (SEM). Translucency (n=6/group) was measured with a color meter, allowing to calculate the translucency parameter (TP) and the contrast ratio (CR). Mechanical properties were appraised with four-point bending strength (n=10), single edge V-notched beam (SEVNB) fracture toughness (n=8) and Vickers hardness (n=10). The aging stability was evaluated by measuring the tetragonal to monoclinic transformation (n=3) after accelerated hydrothermal aging in steam at 134 degrees C, and the transformation curves were fitted by the Mehl-Avrami-Johnson (MAJ) equation. Data were analyzed by one-way ANOVA, followed by Tukey's HSD test (alpha=0.05). RESULTS: Lowering the alumina content below 0.25wt.% avoided the formation of alumina particles and therefore increased the translucency of 3Y-TZP ceramics, but the hydrothermal aging stability was reduced. A higher yttria content (5mol%) introduced about 50% cubic zirconia phase and gave rise to the most translucent and aging-resistant Y-TZP ceramics, but the fracture toughness and strength were considerably sacrificed. 0.2mol% La2O3 doping of 3Y-TZP tailored the grain boundary chemistry and significantly improved the aging resistance and translucency. Although the translucency improvement by La2O3 doping was less effective than for introducing a substantial amount of cubic zirconia, this strategy was able to maintain the mechanical properties of typical 3Y-TZP ceramics. SIGNIFICANCE: Three different approaches were compared to improve the translucency of 3Y-TZP ceramics.
  Address KU Leuven, Department of Materials Engineering, Kasteelpark Arenberg 44, Belgium
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language English Wos 000389516400003 Publication Date 2016-10-06
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0109-5641 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor (down) 4.07 Times cited Open Access
  Notes The authors acknowledge the Research Fund of KU Leu- ven under project 0T/10/052 and the Fund for Scientific Research Flanders (FWO-Vlaanderen) under grant G.0431.10N. F. Zhang thanks the Research Fund of KU Leuven for her post- doctoral fellowship (PDM/15/153). We thank M. Peumans for the translucency measurements. Approved Most recent IF: 4.07
  Call Number EMAT @ emat @ c:irua:136821 Serial 4313
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Author Zhang, F.; Inokoshi, M.; Batuk, M.; Hadermann, J.; Naert, I.; Van Meerbeek, B.; Vleugels, J.
  Title Strength, toughness and aging stability of highly-translucent Y-TZP ceramics for dental restorations Type A1 Journal article
  Year 2016 Publication Dental materials Abbreviated Journal Dent Mater
  Volume 32 Issue 12 Pages E327-E337
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Objective. The aim was to evaluate the optical properties, mechanical properties and aging stability of yttria-stabilized zirconia with different compositions, highlighting the influence of the alumina addition, Y2O3 content and La2O3 doping on the translucency. Methods. Five different Y-TZP zirconia powders (3 commercially available and 2 experimentally modified) were sintered under the same conditions and characterized by X-ray diffraction with Rietveld analysis and scanning electron microscopy (SEM). Translucency (n = 6/group) was measured with a color meter, allowing to calculate the translucency parameter (TP) and the contrast ratio (CR). Mechanical properties were appraised with four-point bending strength (n = 10), single edge V-notched beam (SEVNB) fracture toughness (n = 8) and Vickers hardness (n = 10). The aging stability was evaluated by measuring the tetragonal to monoclinic transformation (n = 3) after accelerated hydrothermal aging in steam at 134 degrees C, and the transformation curves were fitted by the Mehl-Avrami-Johnson (MAJ) equation. Data were analyzed by one-way ANOVA, followed by Tukey's HSD test (alpha = 0.05). Results. Lowering the alumina content below 0.25 wt.% avoided the formation of alumina particles and therefore increased the translucency of 3Y-TZP ceramics, but the hydrothermal aging stability was reduced. A higher yttria content (5 mol%) introduced about 50% cubic zirconia phase and gave rise to the most translucent and aging-resistant Y-TZP ceramics, but the fracture toughness and strength were considerably sacrificed. 0.2 mol% La2O3 doping of 3Y-TZP tailored the grain boundary chemistry and significantly improved the aging resistance and translucency. Although the translucency improvement by La2O3 doping was less effective than for introducing a substantial amount of cubic zirconia, this strategy was able to maintain the mechanical properties of typical 3Y-TZP ceramics. Significance. Three different approaches were compared to improve the translucency of 3YTZP ceramics. (C) 2016 The Academy of Dental Materials. Published by Elsevier Ltd. All rights reserved.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Copenhagen Editor
  Language Wos 000389516400003 Publication Date
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0109-5641 ISBN Additional Links UA library record; WoS full record
  Impact Factor (down) 4.07 Times cited 47 Open Access
  Notes Approved Most recent IF: 4.07
  Call Number UA @ lucian @ c:irua:140246 Serial 4447
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Author Vávra, O.; Gaži, S.; Golubović, D.S.; Vávra, I.; Dérer, J.; Verbeeck, J.; Van Tendeloo, G.; Moshchalkov, V.V.
  Title 0 and π phase Josephson coupling through an insulating barrier with magnetic impurities Type A1 Journal article
  Year 2006 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 74 Issue 2 Pages 020502
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract We have studied the temperature and field dependencies of the critical current I(C) in the Nb-Fe(0.1)Si(0.9)-Nb Josephson junction with a tunneling barrier formed by a paramagnetic insulator. We demonstrate that in these junctions coexistence of both the 0 and the pi states within one tunnel junction occurs, and leads to the appearance of a sharp cusp in the temperature dependence I(C)(T), similar to the I(C)(T) cusp found for the 0-pi transition in metallic pi junctions. This cusp is not related to the 0-pi temperature-induced transition itself, but is caused by the different temperature dependencies of the opposing 0 and pi supercurrents through the barrier.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Lancaster, Pa Editor
  Language Wos 000239426600010 Publication Date 2006-07-15
  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 (down) 3.836 Times cited 27 Open Access
  Notes Approved Most recent IF: 3.836; 2006 IF: 3.107
  Call Number UA @ lucian @ c:irua:60087 c:irua:60087 c:irua:60087 c:irua:60087UA @ admin @ c:irua:60087 Serial 1
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Author Čukarić, N.A.; Tadić, M.Z.; Partoens, B.; Peeters, F.M.
  Title 30-band k\cdot p model of electron and hole states in silicon quantum wells Type A1 Journal article
  Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 88 Issue 20 Pages 205306
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract We modeled the electron and hole states in Si/SiO2 quantum wells within a basis of standing waves using the 30-band k . p theory. The hard-wall confinement potential is assumed, and the influence of the peculiar band structure of bulk silicon on the quantum-well sub-bands is explored. Numerous spurious solutions in the conduction-band and valence-band energy spectra are found and are identified to be of two types: (1) spurious states which have large contributions of the bulk solutions with large wave vectors (the high-k spurious solutions) and (2) states which originate mainly from the spurious valley outside the Brillouin zone (the extravalley spurious solutions). An algorithm to remove all those nonphysical solutions from the electron and hole energy spectra is proposed. Furthermore, slow and oscillatory convergence of the hole energy levels with the number of basis functions is found and is explained by the peculiar band mixing and the confinement in the considered quantum well. We discovered that assuming the hard-wall potential leads to numerical instability of the hole states computation. Nonetheless, allowing the envelope functions to exponentially decay in a barrier of finite height is found to improve the accuracy of the computed hole states.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000327161500007 Publication Date 2013-11-20
  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 (down) 3.836 Times cited 10 Open Access
  Notes ; This work was supported by the Ministry of Education, Science, and Technological Development of Serbia, the Belgian Science Policy (IAP), the Flemish fund for Scientific Research (FWO-Vl), and the Methusalem programme of the Flemish government. ; Approved Most recent IF: 3.836; 2013 IF: 3.664
  Call Number UA @ lucian @ c:irua:112704 Serial 18
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Author García, J.H.; Uchoa, B.; Covaci, L.; Rappoport, T.G.
  Title Adatoms and Anderson localization in graphene Type A1 Journal article
  Year 2014 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 90 Issue 8 Pages 085425
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract We address the nature of the disordered state that results from the adsorption of adatoms in graphene. For adatoms that sit at the center of the honeycomb plaquette, as in the case of most transition metals, we show that the ones that form a zero-energy resonant state lead to Anderson localization in the vicinity of the Dirac point. Among those, we show that there is a symmetry class of adatoms where Anderson localization is suppressed, leading to an exotic metallic state with large and rare charge droplets, that localizes only at the Dirac point. We identify the experimental conditions for the observation of the Anderson transition for adatoms in graphene.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000341238600004 Publication Date 2014-08-22
  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 (down) 3.836 Times cited 12 Open Access
  Notes ; We acknowledge F. Guinea, K. Mullen, A. H. Castro Neto, and E. Mucciolo for discussions. B. U. acknowledges the University of Oklahoma for financial support and NSF Grant No. DMR-1352604 for partial support. T.G.R. and J.H.G acknowledge Brazilian agencies CNPq, FAPERJ, and “INCT de nanoestruturas de carbono” for financial support. ; Approved Most recent IF: 3.836; 2014 IF: 3.736
  Call Number UA @ lucian @ c:irua:119258 Serial 57
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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 (down) 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
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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 (down) 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
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Author Leenaerts, O.; Partoens, B.; Peeters, F.M.
  Title Adsorption of H2O, NH3, CO, NO2, and NO on graphene: a first-principles study Type A1 Journal article
  Year 2008 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 77 Issue Pages 125416,1-6
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract Motivated by the recent realization of graphene sensors to detect individual gas molecules, we investigate the adsorption of H2O, NH3, CO, NO2, and NO on a graphene substrate using first-principles calculations. The optimal adsorption position and orientation of these molecules on the graphene surface is determined and the adsorption energies are calculated. Molecular doping, i.e., charge transfer between the molecules and the graphene surface, is discussed in light of the density of states and the molecular orbitals of the adsorbates. The efficiency of doping of the different molecules is determined and the influence of their magnetic moment is discussed.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Lancaster, Pa Editor
  Language Wos 000254543000133 Publication Date 2008-03-18
  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 (down) 3.836 Times cited 1392 Open Access
  Notes This work was supported by the Flemish Science Foundation FWO-Vl, by the NOI-BOF of the University of Antwerp, and by the Belgian Science Policy IAP. Approved Most recent IF: 3.836; 2008 IF: 3.322
  Call Number UA @ lucian @ c:irua:69634 Serial 67
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Author Vasilopoulos, P.; Kálmán, O.; Peeters, F.M.; Benedict, M.G.
  Title Aharonov-Bohm oscillations in a mesoscopic ring with asymmetric arm-dependent injection Type A1 Journal article
  Year 2007 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 75 Issue 3 Pages 035304,1-7
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Lancaster, Pa Editor
  Language Wos 000243895400086 Publication Date 2007-01-05
  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 (down) 3.836 Times cited 29 Open Access
  Notes Approved Most recent IF: 3.836; 2007 IF: 3.172
  Call Number UA @ lucian @ c:irua:63751 Serial 86
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Author Szumniak, P.; Bednarek, S.; Pawlowski, J.; Partoens, B.
  Title All-electrical control of quantum gates for single heavy-hole spin qubits Type A1 Journal article
  Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 87 Issue 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 (down) 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
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Author De Meulenaere, P.; Rodewald, M.; Van Tendeloo, G.
  Title Anisotropic cluster model for the short-range order in Cu1-xPdx-type alloys Type A1 Journal article
  Year 1998 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 57 Issue 18 Pages 11132-11140
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract The split diffuse maxima around the {110} and {100} positions in the diffraction pattern of short-range-ordered Cu1-xPdx alloys (x=0.10...0.60) are attributed to small atomic clusters, being part of the underlying fee lattice. By analyzing the reciprocal space geometry, our cluster method identifies two prominent cluster types: the tetrahedron of nearest neighbors and a linear three-points cluster along the [110] directions. Since both cluster types contain different information on the same nearest-neighbor correlations, local anisotropy has to be assumed. It is shown that the three interatomic pair interactions within these basic clusters are sufficient to generate the spot splitting in the diffraction pattern. A ground-state analysis with these interactions reproduces the results of the anisotropic next-nearest-neighbor Ising model.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Lancaster, Pa Editor
  Language Wos 000073585200026 Publication Date 2002-07-27
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0163-1829;1095-3795; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor (down) 3.836 Times cited 1 Open Access
  Notes Approved Most recent IF: 3.836; 1998 IF: NA
  Call Number UA @ lucian @ c:irua:25678 Serial 125
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Author Szafran, B.; Peeters, F.M.; Bednarek, S.; Adamowski, J.
  Title Anisotropic quantum dots: Correspondence between quantum and classical Wigner molecules, parity symmetry, and broken-symmetry states Type A1 Journal article
  Year 2004 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 69 Issue Pages 125344,1-15
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Lancaster, Pa Editor
  Language Wos 000221259000107 Publication Date 2004-03-31
  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 (down) 3.836 Times cited 40 Open Access
  Notes Approved Most recent IF: 3.836; 2004 IF: 3.075
  Call Number UA @ lucian @ c:irua:69384 Serial 129
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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 (down) 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
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Author Stefanovich, S.Y.; Belik, A.A.; Azuma, M.; Takano, M.; Baryshnikova, O.V.; Morozov, V.A.; Lazoryak, B.I.; Lebedev, O.I.; Van Tendeloo, G.
  Title Antiferroelectric phase transition in Sr9In(PO4)7 Type A1 Journal article
  Year 2004 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 70 Issue Pages 172103,1-4
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Lancaster, Pa Editor
  Language Wos 000225477000003 Publication Date 2004-11-12
  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 (down) 3.836 Times cited 17 Open Access
  Notes Iuap P5/01 Approved Most recent IF: 3.836; 2004 IF: 3.075
  Call Number UA @ lucian @ c:irua:54744 Serial 135
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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 (down) 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
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Author Matulis, A.; Peeters, F.M.
  Title Appearance of enhanced Weiss oscillations in graphene: theory Type A1 Journal article
  Year 2007 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 75 Issue 12 Pages 125429,1-6
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Lancaster, Pa Editor
  Language Wos 000245330200106 Publication Date 2007-03-28
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor (down) 3.836 Times cited 65 Open Access
  Notes Approved Most recent IF: 3.836; 2007 IF: 3.172
  Call Number UA @ lucian @ c:irua:64294 Serial 138
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Author Matulis, A.; Masir, M.R.; Peeters, F.M.
  Title Application of optical beams to electrons in graphene Type A1 Journal article
  Year 2011 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 83 Issue 11 Pages 115458-115458,7
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract The technique of beam optics is applied to the description of the wave function of Dirac electrons. This approach is illustrated by considering electron transmission through simple nonhomogeneous structures, such as flat and bent p-n junctions and superlattices. We found that a convex p-n junction compresses the beam waist, while a concave interface widens it without loosing its focusing properties. At a flat p-n junction the waist of the transmitted Gaussian beam can be narrowed or widened, depending on the angle of incidence. A general condition is derived for the occurrence of beam collimation in a superlattice which is less stringent than previous discussed.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000288896400013 Publication Date 2011-03-29
  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 (down) 3.836 Times cited 13 Open Access
  Notes ; This research was supported by the Flemish Science Foundation (Grant No. FWO-Vl), by the Belgian Science policy (IAP), and (in part) by the Lithuanian Science Council under project No. MIP-79/2010. ; Approved Most recent IF: 3.836; 2011 IF: 3.691
  Call Number UA @ lucian @ c:irua:89377 Serial 142
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Author Castelano, L.K.; Hai, G.-Q.; Partoens, B.; Peeters, F.M.
  Title Artificial molecular quantum rings: spin density functional theory calculations Type A1 Journal article
  Year 2006 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 74 Issue 4 Pages 045313,1-5
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Lancaster, Pa Editor
  Language Wos 000239426800075 Publication Date 2006-07-18
  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 (down) 3.836 Times cited 24 Open Access
  Notes Approved Most recent IF: 3.836; 2006 IF: 3.107
  Call Number UA @ lucian @ c:irua:60089 Serial 154
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Author Dobrynin, A.N.; Ievlev, D.N.; Verschoren, G.; Swerts, J.; van Bael, M.J.; Temst, K.; Lievens, P.; Piscopiello, E.; Van Tendeloo, G.; Zhou, S.Q.; Vantomme, A.
  Title Atomic-scale modification of hybrid FePt cluster-assembled films Type A1 Journal article
  Year 2006 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 73 Issue 10 Pages 104421,1-8
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Lancaster, Pa Editor
  Language Wos 000236467200069 Publication Date 2006-06-10
  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 (down) 3.836 Times cited 13 Open Access
  Notes Approved Most recent IF: 3.836; 2006 IF: 3.107
  Call Number UA @ lucian @ c:irua:57736 Serial 187
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Author Matsubara, M.; Amini, M.N.; Saniz, R.; Lamoen, D.; Partoens, B.
  Title Attracting shallow donors : hydrogen passivation in (Al,Ga,In)-doped ZnO Type A1 Journal article
  Year 2012 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 86 Issue 16 Pages 165207
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
  Abstract The hydrogen interstitial and the substitutional AlZn, GaZn, and InZn are all shallow donors in ZnO and lead to n-type conductivity. Although shallow donors are expected to repel each other, we show by first-principles calculations that in ZnO these shallow donor impurities attract and form a complex, leading to a donor level deep in the band gap. This puts a limit on the n-type conductivity of (Al,Ga,In)-doped ZnO in the presence of hydrogen.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000310131300008 Publication Date 2012-10-22
  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 (down) 3.836 Times cited 7 Open Access
  Notes Iwt; Fwo; Bof-Noi Approved Most recent IF: 3.836; 2012 IF: 3.767
  Call Number UA @ lucian @ c:irua:101780 Serial 202
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