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Author Ribbens, S.; Beyers, E.; Schellens, K.; Mertens, M.; Ke, X.; Bals, S.; Van Tendeloo, G.; Meynen, V.; Cool, P.
  Title Systematic evaluation of thermal and mechanical stability of different commercial and synthetic photocatalysts in relation to their photocatalytic activity Type A1 Journal article
  Year 2012 Publication Microporous and mesoporous materials: zeolites, clays, carbons and related materials Abbreviated Journal Micropor Mesopor Mat
  Volume 156 Issue Pages 62-72
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA)
  Abstract The effect of thermal treatment and mechanical stress on the structural and photocatalytic properties of eight different (synthetic and commercial) photocatalysts has been thoroughly investigated. Different mesoporous Ti-based materials were prepared via surfactant based synthesis routes (e.g. Pluronic 123, CTMABr = Cetyltrimethylammonium bromide) or via template-free synthesis routes (e.g. trititanate nanotubes). Also, the stabilizing effect of the NaOH/NH4OH post-treatment on the templated mesoporous materials and their photocatalytic activity was investigated. Furthermore, the thermal and mechanical properties of commercially available titanium dioxides such as P25 Evonik® and Millenium PC500® were studied. The various photocatalysts were analyzed with N2-sorption, X-ray diffraction (XRD), high resolution transmission electron microscopy (HR-TEM), differential scanning calorimetry (DSC) and thermal gravimetric analysis (TGA) to obtain information concerning the specific surface area, pore volume, crystal structure, morphology, phase transitions, etc. In general, results show that the NaOH post-treatment leads to an increased control of the crystallization process during calcination resulting in a higher thermal stability, but at the same time diminishes the photocatalytic activity. Mesoporous materials in which pre-synthesized nanoparticles are used as titania source have the best mechanical stability whereas the mechanical stability of the nanotubes is the most limited. At increased temperatures and pressures, the tested commercial titanium dioxides lose their superior photocatalytic activity caused by a decreased accessibility of the active sites. The observed changes in adsorption capacities and photocatalytic activities cannot be assigned to one single phenomenon. In this respect, it shows the need to define a general/standard method to compare different photocatalysts. Furthermore, it is shown that the photocatalytic properties do not necessarily deteriorate under thermal stress, but can be improved due to crystallization, even though the initial material is (partially) destroyed. It is shown that the usefulness of a specific type of photocatalyst strongly depends on the application and the temperature/pressure to which it needs to resist.
  Address
  Corporate Author Thesis
  Publisher (down) Place of Publication Amsterdam Editor
  Language Wos 000303625200010 Publication Date 2012-02-08
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1387-1811; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.615 Times cited 8 Open Access
  Notes Fwo Approved Most recent IF: 3.615; 2012 IF: 3.365
  Call Number UA @ lucian @ c:irua:96910 Serial 3466
Permanent link to this record
 

 
Author Groeneveld, E.; Witteman, L.; Lefferts, M.; Ke, X.; Bals, S.; Van Tendeloo, G.; de Mello Donega, C.
  Title Tailoring ZnSe-CdSe colloidal quantum dots via cation exchange : from core/shell to alloy nanocrystals Type A1 Journal article
  Year 2013 Publication ACS nano Abbreviated Journal Acs Nano
  Volume 7 Issue 9 Pages 7913-7930
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract We report a study of Zn2+ by Cd2+ cation exchange (CE) in colloidal ZnSe nanocrystals (NCs). Our results reveal that CE in ZnSe NCs is a thermally activated isotropic process. The CE efficiency (i.e., fraction of Cd2+ ions originally in solution, Cdsol, that is incorporated in the ZnSe NC) increases with temperature and depends also on the Cdsol/ZnSe ratio. Interestingly, the reaction temperature can be used as a sensitive parameter to tailor both the composition and the elemental distribution profile of the product (Zn,Cd)Se NCs. At 150 °C ZnSe/CdSe core/shell hetero-NCs (HNCs) are obtained, while higher temperatures (200 and 220 °C) produce (Zn1xCdx)Se gradient alloy NCs, with increasingly smoother gradients as the temperature increases, until homogeneous alloy NCs are obtained at T ≥ 240 °C. Remarkably, sequential heating (150 °C followed by 220 °C) leads to ZnSe/CdSe core/shell HNCs with thicker shells, rather than (Zn1xCdx)Se gradient alloy NCs. Thermal treatment at 250 °C converts the ZnSe/CdSe core/shell HNCs into (Zn1xCdx)Se homogeneous alloy NCs, while preserving the NC shape. A mechanism for the cation exchange in ZnSe NCs is proposed, in which fast CE takes place at the NC surface, and is followed by relatively slower thermally activated solid-state cation diffusion, which is mediated by Frenkel defects. The findings presented here demonstrate that cation exchange in colloidal ZnSe NCs provides a very sensitive tool to tailor the nature and localization regime of the electron and hole wave functions and the optoelectronic properties of colloidal ZnSeCdSe NCs.
  Address
  Corporate Author Thesis
  Publisher (down) Place of Publication Editor
  Language Wos 000330016900051 Publication Date 2013-08-13
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1936-0851;1936-086X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 13.942 Times cited 153 Open Access
  Notes 262348 Esmi; 246791 Countatoms Approved Most recent IF: 13.942; 2013 IF: 12.033
  Call Number UA @ lucian @ c:irua:110038 Serial 3469
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Author Kneller, J.M.; Soto, R.J.; Surber, S.E.; Colomer, J.F.; Fonseca, A.; Nagy, J.B.; Van Tendeloo, G.; Pietrass, T.
  Title TEM and laser-polarized 129Xe NMR characterization of oxidatively purified carbon nanotubes Type A1 Journal article
  Year 2000 Publication Journal of the American Chemical Society Abbreviated Journal J Am Chem Soc
  Volume 122 Issue 43 Pages 10591-10597
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Multiwall carbon nanotubes are produced by decomposition of acetylene at 600 degreesC on metal catalysts supported on NaY zeolite. The support and the metal are eliminated by dissolving them in aqueous hydrofluoric acid (HF). Two methods were used to eliminate the pyrolitic carbon: oxidation in air at 500 degreesC and oxidation by potassium permanganate in acidic solution at 70 degreesC. The progress and efficacy of the purification methods are verified by TEM. The properties of the purified multiwalled carbon nanotubes are probed using C-13 and Xe-129 NMR spectroscopy under continuous-flow optical-pumping conditions. Xenon is shown to penetrate the interior of the nanotubes. A distribution of inner tube diameters gives rise to chemical shift dispersion. When the temperature is lowered, an increasing fraction of xenon resides inside the nanotubes and is not capable of exchanging with xenon in the interparticle space. In the case of the permanganate-oxidized sample, rapid xenon relaxation is attributed to interaction with residual MnO2 nanoparticles in the interior of the tubes.
  Address
  Corporate Author Thesis
  Publisher (down) Place of Publication Washington, D.C. Editor
  Language Wos 000165205000011 Publication Date 2002-07-26
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0002-7863;1520-5126; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 13.858 Times cited 53 Open Access
  Notes Approved Most recent IF: 13.858; 2000 IF: 6.025
  Call Number UA @ lucian @ c:irua:95741 Serial 3473
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Author Schryvers, D.; Yandouzi, M.; Toth, L.
  Title TEM study of B2 + L12 decomposition in a nanoscale Ni-rich Ni-Al film Type A1 Journal article
  Year 1998 Publication Thin solid films : an international journal on the science and technology of thin and thick films Abbreviated Journal Thin Solid Films
  Volume 326 Issue Pages 126-133
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher (down) Place of Publication Amsterdam : Elsevier Editor
  Language Wos 000075693800017 Publication Date 2002-07-26
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0040-6090; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 1.879 Times cited 1 Open Access
  Notes Approved Most recent IF: 1.879; 1998 IF: 1.019
  Call Number UA @ lucian @ c:irua:48371 Serial 3487
Permanent link to this record
 

 
Author Teodorescu, V.S.; Nistor, L.C.; van Landuyt, J.; Dinescu, M.
  Title TEM study of laser induced phase transition in iron thin films Type A1 Journal article
  Year 1994 Publication Materials research bulletin Abbreviated Journal Mater Res Bull
  Volume 29 Issue 1 Pages 63-71
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Laser induced phase transition from b.c.c.(alpha) to f.c.c.(gamma) iron thin films is studied by high resolution TEM. The iron film has been covered on both sides with carbon layers to protect it against oxidation. Single pulse, tau FWHM = 20ns KrF (lambda = 248nm) excimer laser irradiation was performed in air with the film on the substrate. The laser pulse acts like a heat pulse followed by a rapid quenching revealing sequential aspects of the phase transition process. The presence of a fine mixture of the alpha + gamma phases between the alpha and gamma regions of the film has been interpreted as an incomplet transformation. The results are explained by assuming that the transformation took place via a phonon drag mechanism.
  Address
  Corporate Author Thesis
  Publisher (down) Place of Publication New York, N.Y. Editor
  Language Wos A1994ML03000008 Publication Date 2003-06-21
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0025-5408; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.288 Times cited 2 Open Access
  Notes Approved no
  Call Number UA @ lucian @ c:irua:99945 Serial 3488
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Author Verbist, K.; Van Tendeloo, G.; Ye, M.; Mehbod, M.; Deltour, R.
  Title TEM study of YBa2Cu3O7-x thin films with Zn and Fe Type A1 Journal article
  Year 1994 Publication Physica: C : superconductivity Abbreviated Journal Physica C
  Volume 235 Issue 1 Pages 663-664
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Analytical and high resolution electron microscopy have been used to study the effect of Zn- and Fe-doping on the micro structure of [001] YBa2Cu3O7-x thin films on [001] MgO substrates grown by magnetron sputtering. Special attention was paid to the presence of second phase inclusions and surface outgrowths such as CuO, Y2Ba1Cu1O5-x, Y2O3 in order to establish a relationship with the critical current density.
  Address
  Corporate Author Thesis
  Publisher (down) Place of Publication Amsterdam Editor
  Language Wos A1994QA39000261 Publication Date 2002-10-17
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0921-4534; ISBN Additional Links UA library record; WoS full record
  Impact Factor 0.942 Times cited Open Access
  Notes Approved no
  Call Number UA @ lucian @ c:irua:10047 Serial 3492
Permanent link to this record
 

 
Author Takeda, M.; Suzuki, N.; Shinohara, G.; Endo, T.; van Landuyt, J.
  Title TEM study on precipitation behavior in Cu-Co alloys Type A1 Journal article
  Year 1998 Publication Physica status solidi: A: applied research Abbreviated Journal Phys Status Solidi A
  Volume 168 Issue Pages 27-35
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher (down) Place of Publication Berlin Editor
  Language Wos 000075226500005 Publication Date 2002-09-10
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0031-8965;1521-396X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited 18 Open Access
  Notes Approved Most recent IF: NA
  Call Number UA @ lucian @ c:irua:29677 Serial 3494
Permanent link to this record
 

 
Author Willems, B.L.; Taylor, D.M.J.; Fritzsche, J.; Malfait, M.; Vanacken, J.; Moshchalkov, V.V.; Montoya, E.; Van Tendeloo, G.
  Title Temperature and magnetic field dependence of the voltagein GaAs films with superconducting Ga grains Type A1 Journal article
  Year 2008 Publication European physical journal : B : condensed matter and complex systems Abbreviated Journal Eur Phys J B
  Volume 66 Issue 1 Pages 25-28
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract We have studied granular films consisting of nanoscale Ga droplets formed on GaAs films via a method of vacuum annealing to promote As evaporation. For temperatures and magnetic fields below the bulk Ga critical parameters, the samples are very sensitive towards external microwave radiation when two point voltage measurements are performed. Together with the observation of an oscillating magnetic field dependence of the voltage, a scenario in which the samples consist of Josephson-coupled loops seems to be the most likely one for explaining the obtained results.
  Address
  Corporate Author Thesis
  Publisher (down) Place of Publication Berlin Editor
  Language Wos 000262831300004 Publication Date 2008-10-11
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1434-6028;1434-6036; ISBN Additional Links UA library record; WoS full record
  Impact Factor 1.461 Times cited Open Access
  Notes Approved Most recent IF: 1.461; 2008 IF: 1.568
  Call Number UA @ lucian @ c:irua:75997 Serial 3496
Permanent link to this record
 

 
Author Schowalter, M.; Rosenauer, A.; Titantah, J.T.; Lamoen, D.
  Title Temperature-dependent Debye-Waller factors for semiconductors with the wurtzite-type structure Type A1 Journal article
  Year 2009 Publication Acta crystallographica: section A: foundations of crystallography Abbreviated Journal Acta Crystallogr A
  Volume 65 Issue Pages 227-231
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract We computed Debye-Waller factors in the temperature range from 0.1 to 1000 K for AlN, GaN, InN, ZnO and CdO with the wurtzite-type structure. The Debye-Waller factors were derived from phonon densities of states obtained from Hellmann-Feynman forces computed within the density-functional-theory formalism. The temperature dependences of the Debye-Waller factors were fitted and fit parameters are given.
  Address
  Corporate Author Thesis
  Publisher (down) Place of Publication Copenhagen Editor
  Language Wos 000264927100006 Publication Date 2009-03-12
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0108-7673; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 5.725 Times cited 23 Open Access
  Notes Fwo G.0425.05; Esteem 026019 Approved Most recent IF: 5.725; 2009 IF: 49.926
  Call Number UA @ lucian @ c:irua:74565 Serial 3497
Permanent link to this record
 

 
Author Katti, G.; Stucchi, M.; Velenis, D.; Sorée, B.; de Meyer, K.; Dehaene, W.
  Title Temperature-dependent modeling and characterization of through-silicon via capacitance Type A1 Journal article
  Year 2011 Publication IEEE electron device letters Abbreviated Journal Ieee Electr Device L
  Volume 32 Issue 4 Pages 563-565
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract A semianalytical model of the through-silicon via (TSV) capacitance for elevated operating temperatures is derived and verified with electrical measurements. The effect of temperature on the increase in TSV capacitance over different technology parameters is explored, and it is shown that higher oxide thickness reduces the impact of temperature rise on TSV capacitance, while with low doped substrates, which are instrumental for reducing the TSV capacitance, the sensitivity of TSV capacitance to temperature is large and cannot be ignored.
  Address
  Corporate Author Thesis
  Publisher (down) Place of Publication Editor
  Language Wos 000288664800045 Publication Date 2011-03-04
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0741-3106;1558-0563; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.048 Times cited 27 Open Access
  Notes ; ; Approved Most recent IF: 3.048; 2011 IF: 2.849
  Call Number UA @ lucian @ c:irua:89402 Serial 3498
Permanent link to this record
 

 
Author Titantah, J.T.; Lamoen, D.; Schowalter, M.; Rosenauer, A.
  Title Temperature effect on the 002 structure factor of ternary Ga1-xInxAs crystals Type A1 Journal article
  Year 2007 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 76 Issue 7 Pages 073303,1-4
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher (down) Place of Publication Lancaster, Pa Editor
  Language Wos 000249155300011 Publication Date 2007-08-03
  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 3 Open Access
  Notes Approved Most recent IF: 3.836; 2007 IF: 3.172
  Call Number UA @ lucian @ c:irua:66116 Serial 3499
Permanent link to this record
 

 
Author Somers, W.; Bogaerts, A.; van Duin, A.C.T.; Huygh, S.; Bal, K.M.; Neyts, E.C.
  Title Temperature influence on the reactivity of plasma species on a nickel catalyst surface : an atomic scale study Type A1 Journal article
  Year 2013 Publication Catalysis today Abbreviated Journal Catal Today
  Volume 211 Issue Pages 131-136
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract In recent years, the potential use of hydrogen as a clean energy source has gained considerable attention. Especially H2 formation by Ni-catalyzed reforming of methane at elevated temperatures is an attractive process. However, a more fundamental knowledge at the atomic level is needed for a full comprehension of the reactions at the catalyst surface. In this contribution, we therefore investigate the H2 formation after CHx impacts on a Ni(1 1 1) surface in the temperature range 4001600 K, by means of reactive molecular dynamics (MD) simulations using the ReaxFF potential. While some H2 formation is already observed at the lower temperatures, substantial H2 formation is only obtained at elevated temperatures of 1400 K and above. At 1600 K, the H2 molecules are even the most frequently formed species. In direct correlation with the increasing dehydrogenation at elevated temperatures, an increased surface-to-subsurface C-diffusivity is observed as well. This study highlights the major importance of the temperature on the H2 formation.
  Address
  Corporate Author Thesis
  Publisher (down) Place of Publication Amsterdam Editor
  Language Wos 000320697800020 Publication Date 2013-03-25
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0920-5861; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.636 Times cited 27 Open Access
  Notes Approved Most recent IF: 4.636; 2013 IF: 3.309
  Call Number UA @ lucian @ c:irua:108675 Serial 3500
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Author Gamez, G.; Bogaerts, A.; Hieftje, G.M.
  Title Temporal and spatially resolved laser-scattering plasma diagnostics for the characterization of a ms-pulsed glow discharge Type A1 Journal article
  Year 2006 Publication Journal of analytical atomic spectrometry Abbreviated Journal J Anal Atom Spectrom
  Volume 21 Issue Pages 350-359
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher (down) Place of Publication London Editor
  Language Wos 000235990200015 Publication Date 2006-01-26
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0267-9477;1364-5544; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.379 Times cited 17 Open Access
  Notes Approved Most recent IF: 3.379; 2006 IF: 3.630
  Call Number UA @ lucian @ c:irua:56539 Serial 3503
Permanent link to this record
 

 
Author Vodolazov, D.Y.; Peeters, F.M.
  Title Temporary cooling of quasiparticles and delay in voltage response of superconducting bridges after abruptly switching on the supercritical current Type A1 Journal article
  Year 2014 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 90 Issue 9 Pages 094504
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract We revisit the problem of the dynamic response of a superconducting bridge after abruptly switching on the supercritical current. In contrast to previous theoretical works we take into account spatial gradients and use both the local temperature approach and the kinetic equation for the distribution function of quasiparticles. We find that the temperature dependence of the finite delay time t(d) in the voltage response is model dependent and relatively large t(d) is connected with temporary cooling of quasiparticles during decay of superconducting order parameter vertical bar Delta vertical bar in time. It turns out that the presence of even small inhomogeneities in the bridge or finite length of the homogenous bridge favors a local suppression of vertical bar Delta vertical bar during the dynamic response. It results in a decrease of the delay time, in comparison with the spatially uniform model, due to the diffusion of nonequilibrium quasiparticles from the region with locally suppressed vertical bar Delta vertical bar. In the case when the current density is maximal near the edge of a not very wide bridge the delay time is mainly connected with the time needed for the nucleation (entrance) of the first vortex and t(d) could be tuned by a weak external magnetic field. We also find that a short alternating current pulse (sinusoidlike) with zero time average may result in a nonzero time- averaged voltage response where its sign depends on the phase of the ac current.
  Address
  Corporate Author Thesis
  Publisher (down) Place of Publication Editor
  Language Wos 000342103600002 Publication Date 2014-09-10
  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 3.836 Times cited 2 Open Access
  Notes ; This work was partially supported by the Russian Foundation for Basic Research (Project No. 12-02-00509), by the Ministry of Education and Science of the Russian Federation (the agreement of August 27, 2013, No. 02.B.49.21.0003, between The Ministry of Education and Science of the Russian Federation and Lobachevsky State University of Nizhni Novgorod) and by the European Science Foundation (ESF) within the framework of the activity entitled “Exploring the Physics of Small Devices (EPSD)” (Project No. 4327). ; Approved Most recent IF: 3.836; 2014 IF: 3.736
  Call Number UA @ lucian @ c:irua:119908 Serial 3504
Permanent link to this record
 

 
Author Benedict, M.G.; Földi, P.; Peeters, F.M.
  Title Terahertz radiation from crystals of nanomagnets Type P1 Proceeding
  Year 2006 Publication Journal of physics : conference series Abbreviated Journal
  Volume 36 Issue Pages 12-17
  Keywords P1 Proceeding; Condensed Matter Theory (CMT)
  Abstract Certain crystals, consisting of molecules with unusually large spin, exhibit macroscopically observable signatures of quantum tunneling, when a slowly varying external magnetic field is applied parallel to the easy axis of the crystal. Recently it has been observed that jumps in the magnetization are sometimes accompanied by the emission of infrared radiation. We discuss the connection of the tunneling with the electromagnetic transition, and we address the questions: to what extent can the radiation be considered as a collective, superradiant emission, and what is the role played by the cavity in the experiments? Our conclusion is that among the reported experimental coditions the radiation is not superradidance, but rather a maserlike effect.
  Address
  Corporate Author Thesis
  Publisher (down) Place of Publication Bristol Editor
  Language Wos 000239847500003 Publication Date 2006-05-04
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1742-6588;1742-6596; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited 1 Open Access
  Notes Approved Most recent IF: NA
  Call Number UA @ lucian @ c:irua:94695 Serial 3508
Permanent link to this record
 

 
Author Alekseeva, A.M.; Abakumov, A.M.; Chizhov, P.S.; Leithe-Jasper, A.; Schnelle, W.; Prots, Y.; Hadermann, J.; Antipov, E.V.; Grin, Y.
  Title Ternary magnesium rhodium boride Mg2Rh1-xB6+2x with a modified Y2ReB6-type crystal structure Type A1 Journal article
  Year 2007 Publication Inorganic chemistry Abbreviated Journal Inorg Chem
  Volume 46 Issue 18 Pages 7378-7386
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher (down) Place of Publication Easton, Pa Editor
  Language Wos 000248984500026 Publication Date 2007-08-09
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0020-1669;1520-510X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.857 Times cited 12 Open Access
  Notes Approved Most recent IF: 4.857; 2007 IF: 4.123
  Call Number UA @ lucian @ c:irua:65595 Serial 3510
Permanent link to this record
 

 
Author d' Hondt, H.; Abakumov, A.M.; Hadermann, J.; Kalyuzhnaya, A.S.; Rozova, M.G.; Antipov, E.V.; Van Tendeloo, G.
  Title Tetrahedral chain order in the Sr2Fe2O5 brownmillerite Type A1 Journal article
  Year 2008 Publication Chemistry of materials Abbreviated Journal Chem Mater
  Volume 20 Issue 22 Pages 7188-7194
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract The crystal structure of the Sr2Fe2O5 brownmillerite has been investigated using electron diffraction and high resolution electron microscopy. The Sr2Fe2O5 structure demonstrates two-dimensional order: the tetrahedral chains with two mirror-related configurations (L and R) are arranged within the tetrahedral layers according to the −L−R−L−R− sequence, and the layers themselves are displaced with respect to each other over 1/2[111] or 1/2[11] vectors of the brownmillerite unit cell, resulting in different ordered stacking variants. A unified superspace model is constructed for ordered stacking sequences in brownmillerites based on the average brownmillerite structure with a = 5.5298(4)Å, b = 15.5875(12)Å, c = 5.6687(4)Å, and (3 + 1)-dimensional superspace group I2/m(0βγ)0s, q = βb* + γc*, 0 ≤ β ≤ 1/2, 0 ≤ γ ≤ 1.
  Address
  Corporate Author Thesis
  Publisher (down) Place of Publication Washington, D.C. Editor
  Language Wos 000261002200039 Publication Date 2008-10-25
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0897-4756;1520-5002; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 9.466 Times cited 64 Open Access
  Notes Iap Vi Approved Most recent IF: 9.466; 2008 IF: 5.046
  Call Number UA @ lucian @ c:irua:72945 Serial 3511
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Author Morozov, V.A.; Mironov, A.V.; Lazoryak, B.I.; Khaikina, E.G.; Basovich, O.M.; Rossell, M.D.; Van Tendeloo, G.
  Title Ag1/8Pr5/8MoO4: an incommensurately modulated scheelite-type structure Type A1 Journal article
  Year 2006 Publication Journal of solid state chemistry Abbreviated Journal J Solid State Chem
  Volume 179 Issue 4 Pages 1183-1191
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher (down) Place of Publication London Editor
  Language Wos 000236501300029 Publication Date 2006-02-08
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0022-4596; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.299 Times cited 35 Open Access
  Notes Iap V-1 Approved Most recent IF: 2.299; 2006 IF: 2.107
  Call Number UA @ lucian @ c:irua:57766 Serial 3513
Permanent link to this record
 

 
Author Prituzhalov, V.A.; Abakumov, A.M.; Ardashnikova, E.I.; Dolgikh, V.A.; Van Tendeloo, G.
  Title :Ba2.1Bi0.9(O, F)6.8-\delta: a new ordered anion-excess fluorite Type A1 Journal article
  Year 2007 Publication Materials research bulletin Abbreviated Journal Mater Res Bull
  Volume 42 Issue 5 Pages 861-869
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher (down) Place of Publication New York, N.Y. Editor
  Language Wos 000245842600010 Publication Date 2006-10-05
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0025-5408; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.446 Times cited 4 Open Access
  Notes Approved Most recent IF: 2.446; 2007 IF: 1.484
  Call Number UA @ lucian @ c:irua:64724 Serial 3515
Permanent link to this record
 

 
Author Pachoud, E.; Bréard, Y.; Martin, C.; Maignan, A.; Abakumov, A.M.; Suard, E.; Smith, R.I.; Suchomel, M.R.
  Title Bi0.75Sr0.25FeO3-\delta : revealing order/disorder phenomena by combining diffraction techniques Type A1 Journal article
  Year 2012 Publication Solid state communications Abbreviated Journal Solid State Commun
  Volume 152 Issue 5 Pages 331-336
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract The local and long range structure of polycrystalline samples of Bi0.75Sr0.25FeO3-delta has been probed by neutron and synchrotron X-ray diffraction coupled with transmission electron microscopy. It is found that the long range structure on average can be described by the cubic space group Pm-3m (a(p) congruent to 3.951 angstrom). However, the refinements revealed large atomic displacements for the (Bi, Sr) cations and the oxygen atoms from their ideal positions. The electron microscopy study indicates the existence of local phenomena like local ordering of oxygen vacancies, which are segregated at the randomly spaced parallel (FeO2-delta) planes, or the existence of region of different symmetry, probably R3c. At room temperature, the compound exhibits G-type antiferromagnetism (T-N congruent to 650 K) with a magnetic moment of congruent to 3.7 mu(B). (C) 2012 Elsevier Ltd. All rights reserved.
  Address
  Corporate Author Thesis
  Publisher (down) Place of Publication New York, N.Y. Editor
  Language Wos 000301329200001 Publication Date 2011-12-19
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0038-1098; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 1.554 Times cited 6 Open Access
  Notes Approved Most recent IF: 1.554; 2012 IF: 1.534
  Call Number UA @ lucian @ c:irua:97820 Serial 3516
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Author Abakumov, A.M.; Hadermann, J.; Kalyuzhnaya, A.S.; Rozova, M.G.; Mikheev, M.G.; Van Tendeloo, G.; Antipov, E.V.
  Title Ca6.3Mn3Ga4.4Al1.3O18: a novel complex oxide with 3D tetrahedral framework Type A1 Journal article
  Year 2005 Publication Journal of solid state chemistry Abbreviated Journal J Solid State Chem
  Volume 178 Issue 10 Pages 3137-3144
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher (down) Place of Publication London Editor
  Language Wos 000232418200022 Publication Date 2005-08-26
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0022-4596; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.299 Times cited 5 Open Access
  Notes Iap V-1; Rfbr; Intas – Ysf Approved Most recent IF: 2.299; 2005 IF: 1.725
  Call Number UA @ lucian @ c:irua:55030 Serial 3520
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Author Setareh, M.; Farnia, M.; Maghari, A.; Bogaerts, A.
  Title CF4 decomposition in a low-pressure ICP : influence of applied power and O2 content Type A1 Journal article
  Year 2014 Publication Journal of physics: D: applied physics Abbreviated Journal J Phys D Appl Phys
  Volume 47 Issue 35 Pages 355205
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract This paper focuses on the investigation of CF4 decomposition in a low-pressure inductively coupled plasma by means of a global model. The influence of O2 on the CF4 decomposition process is studied for conditions used in semiconductor manufacturing processes. The model is applied for different powers and O2 contents ranging between 2% and 98% in the CF4/O2 gas mixture. The model includes the reaction mechanisms in the gas phase coupled with the surface reactions and sticking probabilities of the species at the walls. The calculation results are first compared with experimental results from the literature (for the electron density, temperature and F atom density) at a specific power, in the entire range of CF4/O2 gas mixture ratios, and the obtained agreements indicate the validity of the model. The main products of the gas mixture, obtained from this model, include CO, CO2 and COF2 together with a low fraction of F2. The most effective reactions for the formation and loss of the various species in this process are also determined in detail. Decomposition of CF4 produces mostly CF3 and F radicals. These radicals also contribute to the backward reactions, forming again CF4. This study reveals that the maximum decomposition efficiency of CF4 is achieved at a CF4/O2 ratio equal to 1, at the applied power of 300 W.
  Address
  Corporate Author Thesis
  Publisher (down) Place of Publication London Editor
  Language Wos 000341353800017 Publication Date 2014-08-15
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0022-3727;1361-6463; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.588 Times cited 8 Open Access
  Notes Approved Most recent IF: 2.588; 2014 IF: 2.721
  Call Number UA @ lucian @ c:irua:118327 Serial 3521
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Author Berdonosov, P.S.; Akselrud, L.; Prots, Y.; Abakumov, A.M.; Smet, P.F.; Poelman, D.; Van Tendeloo, G.; Dolgikh, V.A.
  Title Cs7Nd11(SeO3)12Cl16 : first noncentrosymmetric structure among alkaline-metal lanthanide selenite halides Type A1 Journal article
  Year 2013 Publication Inorganic chemistry Abbreviated Journal Inorg Chem
  Volume 52 Issue 7 Pages 3611-3619
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Cs7Nd11(SeO3)(12)Cl-16, the complex selenite chloride of cesium and neodymium, was synthesized in the NdOCl-SeO2-CsCl system. The compound has been characterized using single-crystal X-ray diffraction, electron diffraction, transmission electron microscopy, luminescence spectroscopy, and second-harmonic-generation techniques. Cs7Nd11(SeO3)(12)Cl-16 crystallizes in an orthorhombic unit cell with a = 15.911(1) angstrom, b = 15.951(1) angstrom, and c = 25.860(1) angstrom and a noncentrosymmetric space group Pna2(1) (No. 33). The crystal structure of Cs7Nd11(SeO3)(12)Cl-16 can be represented as a stacking of Cs7Nd11(SeO3)(12) lamellas and CsCl-like layers. Because of the layered nature of the Cs7Nd11(SeO3)(12)Cl-16 structure, it features numerous planar defects originating from occasionally missing the CsCl-like layer and violating the perfect stacking of the Cs7Nd11(SeO3)(12)Cl-16 lamellas. Cs7Nd11(SeO3)(12)Cl-16 represents the first example of a noncentrosymmetric structure among alkaline-metal lanthanide selenite halides. Cs7Nd11(SeO3)(12)Cl-16 demonstrates luminescence emission in the near-IR region with reduced efficiency due to a high concentration of Nd3+ ions causing nonradiative cross-relaxation.
  Address
  Corporate Author Thesis
  Publisher (down) Place of Publication Easton, Pa Editor
  Language Wos 000317094300022 Publication Date 2013-03-11
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0020-1669;1520-510X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.857 Times cited 10 Open Access
  Notes Approved Most recent IF: 4.857; 2013 IF: 4.794
  Call Number UA @ lucian @ c:irua:108482 Serial 3524
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Author Tsirlin, A.A.; Abakumov, A.M.; Ritter, C.; Rosner, H.
  Title (CuCl)LaTa2O\text{7} and quantum phase transition in the (CuX)LaM2O7 family (X=Cl, Br; M=Nb, Ta) Type A1 Journal article
  Year 2012 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 86 Issue 6 Pages 064440-12
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract We apply neutron diffraction, high-resolution synchrotron x-ray diffraction, magnetization measurements, electronic structure calculations, and quantum Monte-Carlo simulations to unravel the structure and magnetism of (CuCl)LaTa2O7. Despite the pseudo-tetragonal crystallographic unit cell, this compound features an orthorhombic superstructure, similar to the Nb-containing (CuX)LaNb2O7 with X = Cl and Br. The spin lattice entails dimers formed by the antiferromagnetic fourth-neighbor coupling J(4), as well as a large number of nonequivalent interdimer couplings quantified by an effective exchange parameter J(eff). In (CuCl)LaTa2O7, the interdimer couplings are sufficiently strong to induce the long-range magnetic order with the Neel temperature T-N similar or equal to 7 K and the ordered magnetic moment of 0.53 mu(B), as measured with neutron diffraction. This magnetic behavior can be accounted for by J(eff)/J(4) similar or equal to 1.6 and J(4) similar or equal to 16 K. We further propose a general magnetic phase diagram for the (CuCl)LaNb2O7-type compounds, and explain the transition from the gapped spin-singlet (dimer) ground state in (CuCl)LaNb2O7 to the long-range antiferromagnetic order in (CuCl)LaTa2O7 and (CuBr)LaNb2O7 by an increase in the magnitude of the interdimer couplings J(eff)/J(4), with the (CuCl)LaM2O7 (M = Nb, Ta) compounds lying on different sides of the quantum critical point that separates the singlet and long-range-ordered magnetic ground states.
  Address
  Corporate Author Thesis
  Publisher (down) Place of Publication Editor
  Language Wos 000308127600006 Publication Date 2012-08-29
  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 6 Open Access
  Notes Approved Most recent IF: 3.836; 2012 IF: 3.767
  Call Number UA @ lucian @ c:irua:101886 Serial 3526
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Author Lok, J.G.S.; Geim, A.K.; Maan, J.C.; Marmorkos, I.; Peeters, F.M.; Mori, N.; Eaves, L.; Forster, T.J.; Main, P.C.; Sakai, J.W.; Henini, M.
  Title D- centers probed by resonant tunneling spectroscopy Type A1 Journal article
  Year 1996 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 53 Issue Pages 9554-9557
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher (down) Place of Publication Lancaster, Pa Editor
  Language Wos A1996UJ29600016 Publication Date 0000-00-00
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1098-0121; 0163-1829 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.736 Times cited 40 Open Access
  Notes Approved PHYSICS, APPLIED 47/145 Q2 #
  Call Number UA @ lucian @ c:irua:15797 Serial 3527
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Author Hao, Y.L.; Djotyan, A.P.; Avetisyan, A.A.; Peeters, F.M.
  Title D- shallow donor near a semiconductor-metal and a semiconductor-dielectric interface Type A1 Journal article
  Year 2011 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat
  Volume 23 Issue 11 Pages 115303,1-115313,9
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract The ground state energy and the extent of the wavefunction of a negatively charged donor (D − ) located near a semiconductormetal or a semiconductordielectric interface are obtained. We apply the effective mass approximation and use a variational two-electron wavefunction that takes into account the influence of all image charges that arise due to the presence of the interface, as well as the correlation between the two electrons bound to the donor. For a semiconductormetal interface, the D − binding energy is enhanced for donor positions d > 1.5aB (aB is the effective Bohr radius) due to the additional attraction of the electrons with their images. When the donor approaches the interface (i.e. d < 1.5aB) the D − binding energy drops and eventually it becomes unbound. For a semiconductordielectric (or a semiconductorvacuum) interface the D − binding energy is reduced for any donor position as compared to the bulk case and the system becomes rapidly unbound when the donor approaches the interface.
  Address
  Corporate Author Thesis
  Publisher (down) Place of Publication London Editor
  Language Wos 000287969200013 Publication Date 2011-03-04
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0953-8984;1361-648X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.649 Times cited 5 Open Access
  Notes ; This work was supported by the Belgian Science Policy (IAP) and the Brazilian Science Foundation CNPq. One of us (AAA) was supported by a fellowship from the Belgian Federal Science Policy Office (IAP). ; Approved Most recent IF: 2.649; 2011 IF: 2.546
  Call Number UA @ lucian @ c:irua:88828 Serial 3528
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Author Shi, J.M.; Peeters, F.M.; Devreese, J.T.
  Title D- states in GaAs/AlxGa1-xAs superlattices in a magnetic field Type A1 Journal article
  Year 1995 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 51 Issue Pages 7714-7724
  Keywords A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems
  Abstract
  Address
  Corporate Author Thesis
  Publisher (down) Place of Publication Lancaster, Pa Editor
  Language Wos A1995QQ59800035 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 3.736 Times cited 76 Open Access
  Notes Approved PHYSICS, APPLIED 47/145 Q2 #
  Call Number UA @ lucian @ c:irua:11692 Serial 3529
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Author Fröba, M.; Köhn, R.; Bouffaud, G.; Richard, O.; Van Tendeloo, G.
  Title _Fe2O3 nanoparticles with mesoporous MCM-48 silica: in situ formation and characterisation Type A1 Journal article
  Year 1999 Publication Chemistry of materials Abbreviated Journal Chem Mater
  Volume 11 Issue Pages 2858-2865
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher (down) Place of Publication Washington, D.C. Editor
  Language Wos 000083261100032 Publication Date 2002-07-26
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0897-4756;1520-5002; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 9.466 Times cited 202 Open Access
  Notes Approved Most recent IF: 9.466; 1999 IF: 3.273
  Call Number UA @ lucian @ c:irua:29721 Serial 3530
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Author Barreca, D.; Carraro, G.; Warwick, M.E.A.; Kaunisto, K.; Gasparotto, A.; Gombac, V.; Sada, C.; Turner, S.; Van Tendeloo, G.; Maccato, C.; Fornasiero, P.;
  Title Fe2O3-TiO2 nanosystems by a hybrid PE-CVD/ALD approach : controllable synthesis, growth mechanism, and photocatalytic properties Type A1 Journal article
  Year 2015 Publication CrystEngComm Abbreviated Journal Crystengcomm
  Volume 17 Issue 17 Pages 6219-6226
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Supported Fe2O3–TiO2 nanocomposites are fabricated by an original vapor phase synthetic strategy, consisting of the initial growth of Fe2O3 nanosystems on fluorine-doped tin oxide substrates by plasma enhanced-chemical vapor deposition, followed by atomic layer deposition of TiO2 overlayers with variable thickness, and final thermal treatment in air. A thorough characterization of the target systems is carried out by X-ray diffraction, atomic force microscopy, field emission-scanning electron microscopy, energy dispersive X-ray spectroscopy, transmission electron microscopy, and X-ray photoelectron spectroscopy. High purity nanomaterials characterized by the co-presence of Fe2O3 (hematite) and TiO2 (anatase), with an intimate Fe2O3–TiO2 contact, are successfully obtained. In addition, photocatalytic tests demonstrate that, whereas both single-phase oxides do not show appreciable activity, the composite systems are able to degrade methyl orange aqueous solutions under simulated solar light, and even visible light, with an efficiency directly dependent on TiO2 overlayer thickness. This finding opens attractive perspectives for eventual applications in wastewater treatment.
  Address
  Corporate Author Thesis
  Publisher (down) Place of Publication Editor
  Language Wos 000358915300018 Publication Date 2015-07-23
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1466-8033; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.474 Times cited 25 Open Access
  Notes The research leading to these results has received funding from the FP7 project “SOLAROGENIX” IJNMP4-SL-2012- 310333), as well as from Padova University ex-60% 2012–2015 projects, grant no. CPDR132937/13 (SOLLEONE), and Regione Lombardia-INSTM ATLANTE projects. S. T. acknowledges the FWO Flanders for a post-doctoral scholarship. Thanks are also due to Prof. S. Mathur and Dr. Y. Gönüllü (Department of Chemistry, Cologne University, Germany) for their precious help and assistance in ALD depositions, and to Prof. E. Bontempi (Chemistry for Technologies Laboratory, Brescia University, Italy) for XRD analyses. Approved Most recent IF: 3.474; 2015 IF: 4.034
  Call Number c:irua:127237 Serial 3531
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Author Stankovski, M.; Antonius, G.; Waroquiers, D.; Miglio, A.; Dixit, H.; Sankaran, K.; Giantomassi, M.; Gonze, X.; Côté, M.; Rignanese, G.-M.
  Title G0W0 band gap of ZnO : effects of plasmon-pole models Type A1 Journal article
  Year 2011 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 84 Issue 24 Pages 241201-241201,5
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract Carefully converged calculations are performed for the band gap of ZnO within many-body perturbation theory (G0W0 approximation). The results obtained using four different well-established plasmon-pole models are compared with those of explicit calculations without such models (the contour-deformation approach). This comparison shows that, surprisingly, plasmon-pole models depending on the f-sum rule gives less precise results. In particular, it confirms that the band gap of ZnO is underestimated in the G0W0 approach as compared to experiment, contrary to the recent claim of Shih et al. [ Phys. Rev. Lett. 105 146401 (2010)].
  Address
  Corporate Author Thesis
  Publisher (down) Place of Publication Editor
  Language Wos 000297766600001 Publication Date 2011-12-06
  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 81 Open Access
  Notes ; The authors would like to thank P. Zhang, S. Louie, J. Deslippe, P. Rinke, H. Jiang, C. Friedrich, and F. Bruneval for many helpful discussions. We are also very grateful to Y. Pouillon, A. Jacques, and J.-M. Beuken for their technical aid and expertise. M.C. and G.A. would like to acknowledge the support of NSERC and FQRNT. This work was supported by the Interuniversity Attraction Poles program (P6/42)-Belgian State-Belgian Science Policy, the Flemish Science Foundation (FWO-Vl) ISIMADE project, the EU's 7th Framework programme through the ETSF I3 e-Infrastructure project (Grant Agreement No. 211956), the Communaute francaise de Belgique, through the Action de Recherche Concertee 07/ 12-003 “Nanosystemes hybrides metal-organiques”, and the FNRS through FRFC Project No. 2.4.589.09.F. ; Approved Most recent IF: 3.836; 2011 IF: 3.691
  Call Number UA @ lucian @ c:irua:93963 Serial 3533
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