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Author | Scalise, E.; Houssa, M.; Pourtois, G.; Afanas'ev, V.; Stesmans, A. | ||||
Title | Strain-induced semiconductor to metal transition in the two-dimensional honeycomb structure of MoS2 | Type | A1 Journal article | ||
Year | 2012 | Publication | Nano Research | Abbreviated Journal | Nano Res |
Volume | 5 | Issue | 1 | Pages | 43-48 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | The electronic properties of two-dimensional honeycomb structures of molybdenum disulfide (MoS(2)) subjected to biaxial strain have been investigated using first-principles calculations based on density functional theory. On applying compressive or tensile bi-axial strain on bi-layer and mono-layer MoS(2), the electronic properties are predicted to change from semiconducting to metallic. These changes present very interesting possibilities for engineering the electronic properties of two-dimensional structures of MoS(2). | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000299085200006 | Publication Date | 2011-11-10 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1998-0124;1998-0000; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 7.354 | Times cited | 407 | Open Access | |
Notes | Approved | Most recent IF: 7.354; 2012 IF: 7.392 | |||
Call Number | UA @ lucian @ c:irua:96262 | Serial | 3169 | ||
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Author | Scalise, E.; Houssa, M.; Pourtois, G.; Afanas'ev, V.V.; Stesmans, A. | ||||
Title | First-principles study of strained 2D MoS2 | Type | A1 Journal article | ||
Year | 2014 | Publication | Physica. E: Low-dimensional systems and nanostructures | Abbreviated Journal | Physica E |
Volume | 56 | Issue | Pages | 416-421 | |
Keywords | A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | The electronic and vibrational properties of 2D honeycomb structures of molybdenum disulfide (MoS2) subjected to strain have been investigated using first-principles calculations based on density functional theory. We have studied the evolution of the electronic properties of bulk and layered MoS2, going down from a few layers up to a mono-layer, and next investigated the effect of bi-axial strain on their electronic structure and vibrational frequencies. Both for tensile and compressive biaxial strains, the shrinking of the energy band-gap of MoS2 with increasing level of applied strain is observed and a transition limit of the system from semiconducting to metallic is predicted to occur for strains in the range of 8-10%. We also found a progressive downshift (upshift) of both the E-2g(1) and A(1g) Raman active modes with increasing level of applied tensile (compressive) strain. Interestingly, significant changes in the curvature of the conduction and valence band near their extrema upon the application of strain are also predicted, with correlated variations of the electron and hole effective masses. These changes present interesting possibilities for engineering the electronic properties of 2D structures of MoS2. (C) 2012 Elsevier B.V. All rights reserved. | ||||
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Publisher | North-Holland | Place of Publication | Amsterdam | Editor | |
Language | Wos | 000330815800070 | Publication Date | 2012-08-08 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1386-9477; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.221 | Times cited | 72 | Open Access | |
Notes | Approved | Most recent IF: 2.221; 2014 IF: 2.000 | |||
Call Number | UA @ lucian @ c:irua:115761 | Serial | 1220 | ||
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Author | Scalise, E.; Houssa, M.; Pourtois, G.; Afanas'ev, V.V.; Stesmans, A. | ||||
Title | Inelastic electron tunneling spectroscopy of HfO2 gate stacks : a study based on first-principles modeling | Type | A1 Journal article | ||
Year | 2011 | Publication | Applied physics letters | Abbreviated Journal | Appl Phys Lett |
Volume | 99 | Issue | 13 | Pages | 132101,1-132101,3 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | A first-principles modeling approach is used to investigate the vibrational properties of HfO2. The calculated phonon density of states is compared to experimental results obtained from inelastic electron tunneling spectroscopy (IETS) of various metal-oxide-semiconductor devices with HfO2 gate stacks. This comparison provides deep insights into the nature of the signatures of the complicated IETS spectra and provides valuable structural information about the gate stack, such as the possible presence of oxygen vacancies in jet-vapour deposited HfO2. Important structural differences between the interface of atomic-layer or molecular-beam deposited HfO2 and the Si substrate are also revealed. | ||||
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Corporate Author | Thesis | ||||
Publisher | American Institute of Physics | Place of Publication | New York, N.Y. | Editor | |
Language | Wos | 000295618000036 | Publication Date | 2011-09-26 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0003-6951; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.411 | Times cited | 1 | Open Access | |
Notes | Approved | Most recent IF: 3.411; 2011 IF: 3.844 | |||
Call Number | UA @ lucian @ c:irua:93611 | Serial | 1606 | ||
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Author | Scalise, E.; Houssa, M.; Pourtois, G.; Afanas'ev, V.V.; Stesmans, A. | ||||
Title | Structural and vibrational properties of amorphous GeO2 from first-principles | Type | A1 Journal article | ||
Year | 2011 | Publication | Applied physics letters | Abbreviated Journal | Appl Phys Lett |
Volume | 98 | Issue | 20 | Pages | 202110,1-202110,3 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | The structural and vibrational properties of amorphous germanium oxide (a-GeO<sub>2</sub>) are investigated using first-principles calculations based on density functional theory. We first generate an a-GeO<sub>2</sub> structure by first-principles molecular dynamics and analyze its structural properties. The vibrational spectra is then calculated within a density-functional approach. Both static and dynamic properties are in good agreement with experimental data. We next generate defects in our structure (oxygen vacancies with several density and charge states) and consider the most stable atomic configurations, focusing on the vibrational features of threefold coordinated O and divalent Ge centers. | ||||
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Publisher | American Institute of Physics | Place of Publication | New York, N.Y. | Editor | |
Language | Wos | 000290812100038 | Publication Date | 2011-05-20 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0003-6951; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.411 | Times cited | 226 | Open Access | |
Notes | Approved | Most recent IF: 3.411; 2011 IF: 3.844 | |||
Call Number | UA @ lucian @ c:irua:90222 | Serial | 3202 | ||
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Author | Scalise, E.; Houssa, M.; Pourtois, G.; van den Broek, B.; Afanas'ev, V.; Stesmans, A. | ||||
Title | Vibrational properties of silicene and germanene | Type | A1 Journal article | ||
Year | 2013 | Publication | Nano Research | Abbreviated Journal | Nano Res |
Volume | 6 | Issue | 1 | Pages | 19-28 |
Keywords | A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | The structural and vibrational properties of two-dimensional hexagonal silicon (silicene) and germanium (germanene) are investigated by means of first-principles calculations. It is predict that the silicene (germanene) structure with a small buckling of 0.44 (0.7 ) and bond lengths of 2.28 (2.44 ) is energetically the most favorable, and it does not exhibit imaginary phonon mode. The calculated non-resonance Raman spectra of silicene is characterized by a main peak at about 575 cm(-1), namely the G-like peak. For germanene, the highest peak is at about 290 cm(-1). Extensive calculations on armchair silicene nanoribbons and armchair germanene nanoribbons are also performed, with and without hydrogenation of the edges. The studies reveal other Raman peaks mainly distributed at lower frequencies than the G-like peak which could be attributed to the defects at the edges of the ribbons, thus not present in the Raman spectra of non-defective silicene and germanene. Particularly the Raman peak corresponding to the D mode is found to be located at around 515 cm(-1) for silicene and 270 cm(-1) for germanene. The calculated G-like and the D peaks are likely the fingerprints of the Raman spectra of the low-buckled structures of silicene and germanene. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000313658800003 | Publication Date | 2012-12-17 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1998-0124;1998-0000; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 7.354 | Times cited | 105 | Open Access | |
Notes | Approved | Most recent IF: 7.354; 2013 IF: 6.963 | |||
Call Number | UA @ lucian @ c:irua:110106 | Serial | 3846 | ||
Permanent link to this record | |||||
Author | Scarabelli, L.; Schumacher, M.; Jimenez de Aberasturi, D.; Merkl, J.‐P.; Henriksen‐Lacey, M.; Milagres de Oliveira, T.; Janschel, M.; Schmidtke, C.; Bals, S.; Weller, H.; Liz‐Marzán, L.M. | ||||
Title | Encapsulation of Noble Metal Nanoparticles through Seeded Emulsion Polymerization as Highly Stable Plasmonic Systems | Type | A1 Journal article | ||
Year | 2019 | Publication | Advanced functional materials | Abbreviated Journal | Adv Funct Mater |
Volume | 29 | Issue | 29 | Pages | 1809071 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | The implementation of plasmonic nanoparticles in vivo remains hindered by important limitations such as biocompatibility, solubility in biological fluids, and physiological stability. A general and versatile protocol is presented, based on seeded emulsion polymerization, for the controlled encapsulation of gold and silver nanoparticles. This procedure enables the encapsulation of single nanoparticles as well as nanoparticle clusters inside a protecting polymer shell. Specifically, the efficient coating of nanoparticles of both metals is demonstrated, with final dimensions ranging between 50 and 200 nm, i.e., sizes of interest for bio-applications. Such hybrid nanocomposites display extraordinary stability in high ionic strength and oxidizing environments, along with high cellular uptake, and low cytotoxicity. Overall, the prepared nanostructures are promising candidates for plasmonic applications under biologically relevant conditions. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000467109100024 | Publication Date | 2019-02-11 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1616-301X | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 12.124 | Times cited | 19 | Open Access | OpenAccess |
Notes | L.S. and M.S. contributed equally to this work. This work was supported by the Spanish MINECO (Grant MAT2017-86659-R), by the German Research Foundation (DFG, Grant LA 2901/1-1) and by the European Research Council (Grant 335078 COLOURATOM to S.B). The authors acknowledge funding from the European Commission Grant (EUSMI 731019 to S.B., L.M.L.-M). L.S. acknowledges funding from the American-Italian Cancer Foundation through a Post-Doctoral Research Fellowship. D.J.d.A. thanks MINECO for a Juan de la Cierva fellowship (IJCI-2015-24264). J.P.M. was financed by Verband der Chemischen Industrie e.V. (VCI). The authors thank Dr. Artur Feld, Dr. Andreas Kornowski and Stefan Werner (Institute of Physical Chemistry, University of Hamburg) for their support. | Approved | Most recent IF: 12.124 | ||
Call Number | EMAT @ emat @UA @ admin @ c:irua:160710 | Serial | 5190 | ||
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Author | Scarrozza, M.; Pourtois, G.; Houssa, M.; Heyns, M.; Stesmans, A. | ||||
Title | Oxidation of the GaAs(001) surface : insights from first-principles calculations | Type | A1 Journal article | ||
Year | 2012 | Publication | Physical review : B : condensed matter and materials physics | Abbreviated Journal | Phys Rev B |
Volume | 85 | Issue | 19 | Pages | 195307-195307,8 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | We performed a detailed investigation of the oxidation of the technologically relevant GaAs(001)-beta 2(2x4) surface via density functional calculations. The purpose is to gain insights on the atomistic mechanisms and local bondings that underlie the degradation of the surface properties once exposed to oxygen. The study comprises the adsorption of single O atoms, through the sampling of several adsorption sites, and the subsequent formation of the O adsorbate at increasing coverage by taking into account multiple-atom adsorption. Based on the evaluation of the energetics and the structural properties of the atomistic models generated, the results here reported delineate a consistent picture of the initial stage of the surface oxidation: (i) at low coverage, in the limit of single O insertions, oxygen is incorporated on the surface forming a twofold-bridging Ga-O-As bond; (ii) at increasing coverage, as multiple O atoms are involved, this is accompanied by the formation of a threefold-coordinated bond (with two Ga and one As atoms); (iii) the latter has important implications regarding the electronic properties of the adsorbate since this O bonding may result in the formation of As dangling bonds. Moreover, a clear trend of increased energy gain for the incorporation of neighboring O atoms compared to single O insertions indicates that the formation of oxide clusters is favored over a regime of uniform oxidation. Our findings provide a detailed description of the O bonding and stress the importance of modeling the adsorption of multiple O atoms for an accurate description of the surface oxidation. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000303755700006 | Publication Date | 2012-05-08 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1098-0121;1550-235X; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.836 | Times cited | 15 | Open Access | |
Notes | Approved | Most recent IF: 3.836; 2012 IF: 3.767 | |||
Call Number | UA @ lucian @ c:irua:99122 | Serial | 2538 | ||
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Author | Schalm, O.; Caluwé, D.; Wouters, H.; Janssens, K.; Verhaeghe, F.; Pieters, M. | ||||
Title | Chemical composition and deterioration of glass excavated in the 15th-16th century fishermen town of Raversijde (Belgium) | Type | A1 Journal article | ||
Year | 2004 | Publication | Spectrochimica acta: part A: molecular and biomolecular spectroscopy | Abbreviated Journal | Spectrochim Acta A |
Volume | 59 | Issue | Pages | 1647-1656 | |
Keywords | A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) | ||||
Abstract | The chemical composition, as determined by electron probe X-ray microanalysis of a series of ca. 100 archaeological glass fragments, excavated at the Raversijde site (Belgium) is discussed. In the 15th-16th century, Raversijde was a flourishing fishermen town located on the shore of the North Sea, close to the city of Ostend. As a consequence of several battles that were fought in its vicinity, the site was abandoned in the 16th century and was not occupied since then. It is one of the rare archaeological sites in Europe that contains a significant amount of information on the daily life inside a small but affluent medieval community. A comparison of the chemical composition of fragments of vessels and window glass encountered in Raversijde to those found in urban centres in Belgium and to literature date on German and French archaeological finds shows that glass made with wood ash dominates. Usually, it concerns artifacts with a predominantly utilitarian use. A few objects made with sodic (i.e., Na-rich) glass were also encountered, likely to have been imported from Venice during the 15th century or in later periods from an urban centre such as Antwerp, where Facon-de-Venice glass manufacturing activities were established near the start of the 16th century. (C) 2004 Elsevier B.V. All rights reserved. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000224848000021 | Publication Date | 2004-10-13 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1386-1425 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.536 | Times cited | 26 | Open Access | |
Notes | Approved | Most recent IF: 2.536; 2004 IF: 1.188 | |||
Call Number | UA @ admin @ c:irua:49011 | Serial | 5512 | ||
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Author | Schalm, O.; Crabbé, A.; Storme, P.; Wiesinger, R.; Gambirasi, A.; Grieten, E.; Tack, P.; Bauters, S.; Kleber, C.; Favaro, M.; Schryvers, D.; Vincze, L.; Terryn, H.; Patelli, A. | ||||
Title | The corrosion process of sterling silver exposed to a Na2S solution: monitoring and characterizing the complex surface evolution using a multi-analytical approach | Type | A1 Journal article | ||
Year | 2016 | Publication | Applied Physics A-Materials Science & Processing | Abbreviated Journal | Appl Phys A-Mater |
Volume | 122 | Issue | 122 | Pages | 903 |
Keywords | A1 Journal article; Electron Microscopy for Materials Science (EMAT); | ||||
Abstract | Many historical ‘silver’ objects are composed of sterling silver, a silver alloy containing small amounts of copper. Besides the dramatic impact of copper on the corrosion process, the chemical composition of the corrosion layer evolves continuously. The evolution of the surface during the exposure to a Na2S solution was monitored by means of visual observation at macroscopic level, chemical analysis at microscopic level and analysis at the nanoscopic level. The corrosion process starts with the preferential oxidation of copper, forming mixtures of oxides and sulphides while voids are being created beneath the corrosion layer. Only at a later stage, the silver below the corrosion layer is consumed. This results in the formation of jalpaite and at a later stage of acanthite. The acanthite is found inside the corrosion layer at the boundaries of jalpaite grains and as individual grains between the jalpaite grains but also as a thin film on top of the corrosion layer. The corrosion process could be described as a sequence of 5 subsequent surface states with transitions between these states. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000384753800033 | Publication Date | 2016-09-20 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0947-8396 | ISBN | Additional Links | ||
Impact Factor | 1.455 | Times cited | 9 | Open Access | |
Notes | The authors are grateful for the financial support by the EU-FP7 Grant PANNA No. 282998 and for the opportunity to perform SR-XPS measurements at the NanoESCA beamline of the Elettra storage ring, under the approval of the advisory Committee (Proposal No. 20135164), as well as the opportunity to perform XANES measurements at the DUBBLE beamline of the ESRF storage ring (Proposal No. 26-01-990). The authors are grateful for the financial support by the STIMPRO Project FFB150215 of the University of Antwerp. Pieter Tack is funded by a Ph.D. Grant of the Agency for Innovation by Science and Technology (IWT). We would also like to thank Peter Van den Haute for the XRD measurements that were performed at the University of Ghent. | Approved | Most recent IF: 1.455 | ||
Call Number | EMAT @ emat @ | Serial | 4331 | ||
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Author | Schalm, O.; van der Linden, V.; Frederickx, P.; Luyten, S.; van der Snickt, G.; Caen, J.; Schryvers, D.; Janssens, K.; Cornelis, E.; van Dyck, D.; Schreiner, M. | ||||
Title | Enamels in stained glass windows: preparation, chemical composition, microstructure and causes of deterioration | Type | A1 Journal article | ||
Year | 2009 | Publication | Spectrochimica acta: part B : atomic spectroscopy | Abbreviated Journal | Spectrochim Acta B |
Volume | 64 | Issue | 8 | Pages | 812-820 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Vision lab | ||||
Abstract | Stained glass windows incorporating dark blue and purple enamel paint layers are in some cases subject to severe degradation while others from the same period survived the ravages of time. A series of dark blue, greenblue and purple enamel glass paints from the same region (Northwestern Europe) and from the same period (16early 20th centuries) has been studied by means of a combination of microscopic X-ray fluorescence analysis, electron probe micro analysis and transmission electron microscopy with the aim of better understanding the causes of the degradation. The chemical composition of the enamels diverges from the average chemical composition of window glass. Some of the compositions appear to be unstable, for example those with a high concentration of K2O and a low content of CaO and PbO. In other cases, the deterioration of the paint layers was caused by the less than optimal vitrification of the enamel during the firing process. Recipes and chemical compositions indicate that glassmakers of the 1617th century had full control over the color of the enamel glass paints they made. They mainly used three types of coloring agents, based on Co (dark blue), Mn (purple) and Cu (light-blue or greenblue) as coloring elements. Bluepurple enamel paints were obtained by mixing two different coloring agents. The coloring agent for redpurple enamel, introduced during the 19th century, was colloidal gold embedded in grains of lead glass. | ||||
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Publisher | Place of Publication | Oxford | Editor | ||
Language | Wos | 000269995300018 | Publication Date | 2009-06-19 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0584-8547; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.241 | Times cited | 28 | Open Access | |
Notes | Iuap Vi/6; Fwo; Goa | Approved | Most recent IF: 3.241; 2009 IF: 2.719 | ||
Call Number | UA @ lucian @ c:irua:79647 | Serial | 1035 | ||
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Author | Schapotschnikow, P.; van Huis, M.A.; Zandbergen, H.W.; Vanmaekelbergh, D.; Vlugt, T.J.H. | ||||
Title | Morphological transformations and fusion of PbSe nanocrystals studied using atomistic simulations | Type | A1 Journal article | ||
Year | 2010 | Publication | Nano letters | Abbreviated Journal | Nano Lett |
Volume | 10 | Issue | 10 | Pages | 3966-3971 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | Molecular dynamics simulations are performed on capped and uncapped PbSe nanocrystals, employing newly developed classical interaction potentials. Here, we show that two uncapped nanocrystals fuse efficiently via direct surface attachment, even if they are initially misaligned. In sharp contrast to the general belief, interparticle dipole interactions do not play a significant role in this oriented attachment process. Furthermore, it is shown that presumably polar, capped PbSe{111} facets are never fully Pb- or Se-terminated. | ||||
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Publisher | Place of Publication | Washington | Editor | ||
Language | Wos | 000282727600028 | Publication Date | 2010-09-16 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1530-6984;1530-6992; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 12.712 | Times cited | 59 | Open Access | |
Notes | Approved | Most recent IF: 12.712; 2010 IF: 12.219 | |||
Call Number | UA @ lucian @ c:irua:84902 | Serial | 2205 | ||
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Author | Schattschneider, P.; Ennen, I.; Stoger-Pollach, M.; Verbeeck, J. | ||||
Title | Circular dichroism in the electron microscope: progress and applications (invited) | Type | A1 Journal article | ||
Year | 2010 | Publication | Journal of applied physics | Abbreviated Journal | J Appl Phys |
Volume | 107 | Issue | 9 | Pages | 09d311,1-09d311,6 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | According to theory, x-ray magnetic circular dichroism in a synchrotron is equivalent to energy loss magnetic chiral dichroism (EMCD) in a transmission electron microscope (TEM). After a synopsis of the development of EMCD, the theoretical background is reviewed and recent results are presented, focusing on the study of magnetic nanoparticles for ferrofluids and Heusler alloys for spintronic devices. Simulated maps of the dichroic strength as a function of atom position in the crystal allow evaluating the influence of specimen thickness and sample tilt on the experimental EMCD signal. Finally, the possibility of direct observation of chiral electronic transitions with atomic resolution in a TEM is discussed. | ||||
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Publisher | American Institute of Physics | Place of Publication | New York, N.Y. | Editor | |
Language | Wos | 000277834300276 | Publication Date | 2010-05-12 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0021-8979; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.068 | Times cited | 28 | Open Access | |
Notes | Esteem | Approved | Most recent IF: 2.068; 2010 IF: 2.079 | ||
Call Number | UA @ lucian @ c:irua:83653UA @ admin @ c:irua:83653 | Serial | 361 | ||
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Author | Schattschneider, P.; Ennen, I.; Stoger-Pollach, M.; Verbeeck, J.; Mauchamp, V.; Jaouen, M. | ||||
Title | Real space maps of magnetic moments on the atomic scale: theory and feasibility | Type | A1 Journal article | ||
Year | 2010 | Publication | Ultramicroscopy | Abbreviated Journal | Ultramicroscopy |
Volume | 110 | Issue | 8 | Pages | 1038-1041 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | The recently discovered EMCD technique (energy loss magnetic chiral dichroism) can detect atom specific magnetic moments with nanometer resolution, exploiting the spin selectivity of electronic transitions in energy loss spectroscopy. Yet, direct imaging of magnetic moments on the atomic scale is not possible. In this paper we present an extension of EMCD that can overcome this limit. As a model system we chose bcc Fe. We present image simulations of the L3 white line signal, based on the kinetic equation for the density matrix of the 200 kV probe electron. With actual progress in instrumentation (high brightness sources, aberration corrected lenses) this technique should allow direct imaging of spin moments on the atomic scale. | ||||
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Publisher | Place of Publication | Amsterdam | Editor | ||
Language | Wos | 000281216600016 | Publication Date | 2009-12-07 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0304-3991; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.843 | Times cited | 10 | Open Access | |
Notes | --- | Approved | Most recent IF: 2.843; 2010 IF: 2.063 | ||
Call Number | UA @ lucian @ c:irua:84439UA @ admin @ c:irua:84439 | Serial | 2830 | ||
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Author | Schattschneider, P.; Löffler, S.; Stöger-Pollach, M.; Verbeeck, J. | ||||
Title | Is magnetic chiral dichroism feasible with electron vortices? | Type | A1 Journal article | ||
Year | 2014 | Publication | Ultramicroscopy | Abbreviated Journal | Ultramicroscopy |
Volume | 136 | Issue | Pages | 81-85 | |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | We discuss the feasibility of detecting magnetic transitions with focused electron vortex probes, suggested by selection rules for the magnetic quantum number. We theoretically estimate the dichroic signal strength in the L2,3 edge of ferromagnetic d metals. It is shown that under realistic conditions, the dichroic signal is undetectable for nanoparticles larger than View the MathML source. This is confirmed by a key experiment with nanometer-sized vortices. | ||||
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Publisher | Place of Publication | Amsterdam | Editor | ||
Language | Wos | 000327884700011 | Publication Date | 2013-07-26 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0304-3991; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.843 | Times cited | 64 | Open Access | |
Notes | Countatoms; Vortex; Esteem2; esteem2jra3 ECASJO; | Approved | Most recent IF: 2.843; 2014 IF: 2.436 | ||
Call Number | UA @ lucian @ c:irua:110952UA @ admin @ c:irua:110952 | Serial | 1750 | ||
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Author | Schattschneider, P.; Stoeger-Pollach, M.; Verbeeck, J. | ||||
Title | Novel vortex generator and mode converter for electron beams | Type | A1 Journal article | ||
Year | 2012 | Publication | Physical review letters | Abbreviated Journal | Phys Rev Lett |
Volume | 109 | Issue | 8 | Pages | 084801-1 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | A mode converter for electron vortex beams is described. Numerical simulations, confirmed by experiment, show that the converter transforms a vortex beam with a topological charge m = +/- 1 into beams closely resembling Hermite-Gaussian HG(10) and HG(01) modes. The converter can be used as a mode discriminator or filter for electron vortex beams. Combining the converter with a phase plate turns a plane wave into modes with topological charge m = +/- 1. This combination serves as a generator of electron vortex beams of high brilliance. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | New York, N.Y. | Editor | ||
Language | Wos | 000307790900004 | Publication Date | 2012-08-22 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0031-9007;1079-7114; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 8.462 | Times cited | 74 | Open Access | |
Notes | Countatoms; Vortex ECASJO_; | Approved | Most recent IF: 8.462; 2012 IF: 7.943 | ||
Call Number | UA @ lucian @ c:irua:101103UA @ admin @ c:irua:101103 | Serial | 2384 | ||
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Author | Schattschneider, P.; Stöger-Pollach, M.; Löffler, S.; Steiger-Thirsfeld, A.; Hell, J.; Verbeeck, J. | ||||
Title | Sub-nanometer free electrons with topological charge | Type | A1 Journal article | ||
Year | 2012 | Publication | Ultramicroscopy | Abbreviated Journal | Ultramicroscopy |
Volume | 115 | Issue | Pages | 21-25 | |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | The holographic mask technique is used to create freely moving electrons with quantized angular momentum. With electron optical elements they can be focused to vortices with diameters below the nanometer range. The understanding of these vortex beams is important for many applications. Here, we produce electron vortex beams and compare them to a theory of electrons with topological charge. The experimental results show excellent agreement with simulations. As an immediate application, fundamental experimental parameters like spherical aberration and partial coherence are determined. (C) 2012 Elsevier B.V. All rights reserved. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Amsterdam | Editor | ||
Language | Wos | 000302962400004 | Publication Date | 2012-01-30 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0304-3991; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.843 | Times cited | 24 | Open Access | |
Notes | vortex ECASJO_; | Approved | Most recent IF: 2.843; 2012 IF: 2.470 | ||
Call Number | UA @ lucian @ c:irua:98279 | Serial | 3344 | ||
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Author | Schattschneider, P.; Verbeeck, J.; Mauchamp, V.; Jaouen, M.; Hamon, A.-L. | ||||
Title | Real-space simulations of spin-polarized electronic transitions in iron | Type | A1 Journal article | ||
Year | 2010 | Publication | Physical review : B : condensed matter and materials physics | Abbreviated Journal | Phys Rev B |
Volume | 82 | Issue | 14 | Pages | 144418-144418,11 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | After the advent of energy-loss magnetic chiral dichroism (EMCD) in 2006, rapid progress in theoretical understanding and in experimental performance was achieved, recently demonstrating a spatial resolution of better than 2 nm. Similar to the x-ray magnetic circular dichroism technique, EMCD is used to study atom specific magnetic moments. The latest generation of electron microscopes opens the road to the mapping of spin moments on the atomic scale with this method. Here the theoretical background to reach this challenging aim is elaborated. Numerical simulations of the L3 transition in an Fe specimen, based on a combination of the density-matrix approach for inelastic electron scattering with the propagation of the probe electron in the lattice potential indicate the feasibility of single spin mapping in the electron microscope. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000282678900006 | Publication Date | 2010-10-08 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1098-0121;1550-235X; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.836 | Times cited | 11 | Open Access | |
Notes | P.S. acknowledges the support of the Austrian Science Fund, Project No. I543-N20. | Approved | Most recent IF: 3.836; 2010 IF: 3.774 | ||
Call Number | UA @ lucian @ c:irua:85029UA @ admin @ c:irua:85029 | Serial | 2832 | ||
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Author | Schmeling, M.; Van Grieken, R. | ||||
Title | Determination of light elements in marine aerosols by grazing-emission X-ray fluorescence | Type | P3 Proceeding | ||
Year | 1999 | Publication | Abbreviated Journal | ||
Volume | Issue | Pages | |||
Keywords | P3 Proceeding; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) | ||||
Abstract | |||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | Publication Date | |||
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | ISBN | Additional Links | UA library record | ||
Impact Factor | Times cited | Open Access | |||
Notes | Approved | no | |||
Call Number | UA @ admin @ c:irua:27596 | Serial | 7781 | ||
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Author | Schmeling, M.; Van Grieken, R.E. | ||||
Title | Sample preparation for X-ray fluorescence | Type | H3 Book chapter | ||
Year | 2002 | Publication | Abbreviated Journal | ||
Volume | Issue | Pages | 933-976 T2 - Handbook of X-ray spectrometry / Grie | ||
Keywords | H3 Book chapter; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) | ||||
Abstract | |||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | Publication Date | |||
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | ISBN | Additional Links | UA library record | ||
Impact Factor | Times cited | Open Access | |||
Notes | Approved | no | |||
Call Number | UA @ admin @ c:irua:36388 | Serial | 8494 | ||
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Author | Schmid, R.; Wilke, M.; Ober, R.; Dong, S.; Janssens, K.; Falkenberg, G.; Franz, L.; Gaab, A. | ||||
Title | Micro-XANES determination of ferric iron and its application in thermobarometry | Type | A1 Journal article | ||
Year | 2003 | Publication | Lithos | Abbreviated Journal | |
Volume | 70 | Issue | Pages | 381-392 | |
Keywords | A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) | ||||
Abstract | |||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000186356500017 | Publication Date | 2003-09-17 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | ||
Impact Factor | Times cited | Open Access | |||
Notes | Approved | Most recent IF: NA | |||
Call Number | UA @ admin @ c:irua:42916 | Serial | 5718 | ||
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Author | Schneidewind, U.; van Berkel, M.; Anibas, C.; Vandersteen, G.; Schmidt, C.; Joris, I.; Seuntjens, P.; Batelaan, O.; Zwart, H.J. | ||||
Title | LPMLE3: A novel 1-D approach to study water flow in streambeds using heat as a tracer | Type | A1 Journal article | ||
Year | 2016 | Publication | Water resources research | Abbreviated Journal | |
Volume | 52 | Issue | 8 | Pages | 6596-6610 |
Keywords | A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) | ||||
Abstract | We introduce LPMLE3, a new 1-D approach to quantify vertical water flow components at streambeds using temperature data collected in different depths. LPMLE3 solves the partial differential equation for coupled water flow and heat transport in the frequency domain. Unlike other 1-D approaches it does not assume a semi-infinite halfspace with the location of the lower boundary condition approaching infinity. Instead, it uses local upper and lower boundary conditions. As such, the streambed can be divided into finite subdomains bound at the top and bottom by a temperature-time series. Information from a third temperature sensor within each subdomain is then used for parameter estimation. LPMLE3 applies a low order local polynomial to separate periodic and transient parts (including the noise contributions) of a temperature-time series and calculates the frequency response of each subdomain to a known temperature input at the streambed top. A maximum-likelihood estimator is used to estimate the vertical component of water flow, thermal diffusivity, and their uncertainties for each streambed subdomain and provides information regarding model quality. We tested the method on synthetic temperature data generated with the numerical model STRIVE and demonstrate how the vertical flow component can be quantified for field data collected in a Belgian stream. We show that by using the results in additional analyses, nonvertical flow components could be identified and by making certain assumptions they could be quantified for each subdomain. LPMLE3 performed well on both simulated and field data and can be considered a valuable addition to the existing 1-D methods. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000383684400051 | Publication Date | 2016-08-05 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0043-1397; 0043-137x | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | Times cited | Open Access | |||
Notes | Approved | no | |||
Call Number | UA @ admin @ c:irua:144678 | Serial | 8189 | ||
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Author | Schnepf, M.J.; Mayer, M.; Kuttner, C.; Tebbe, M.; Wolf, D.; Dulle, M.; Altantzis, T.; Formanek, P.; Förster, S.; Bals, S.; König, T.A.F.; Fery, A. | ||||
Title | Nanorattles with tailored electric field enhancement | Type | A1 Journal article | ||
Year | 2017 | Publication | Nanoscale | Abbreviated Journal | Nanoscale |
Volume | 9 | Issue | 9 | Pages | 9376-9385 |
Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
Abstract | Nanorattles are metallic core–shell particles with core and shell separated by a dielectric spacer. These nanorattles have been identified as a promising class of nanoparticles, due to their extraordinary high electric-field enhancement inside the cavity. Limiting factors are reproducibility and loss of axial symmetry owing to the movable metal core; movement of the core results in fluctuation of the nanocavity dimensions and commensurate variations in enhancement factor. We present a novel synthetic approach for the robust fixation of the central gold rod within a well-defined box, which results in an axisymmetric nanorattle. We determine the structure of the resulting axisymmetric nanorattles by advanced transmission electron microscopy (TEM) and small-angle X-ray scattering (SAXS). Optical absorption and scattering cross-sections obtained from UV-vis-NIR spectroscopy quantitatively agree with finite-difference time-domain (FDTD) simulations based on the structural model derived from SAXS. The predictions of high and homogenous field enhancement are evidenced by scanning TEM electron energy loss spectroscopy (STEM-EELS) measurement on single-particle level. Thus, comprehensive understanding of structural and optical properties is achieved for this class of nanoparticles, paving the way for photonic applications where a defined and robust unit cell is crucial. |
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Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000405387100015 | Publication Date | 2017-06-22 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2040-3364 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 7.367 | Times cited | 69 | Open Access | OpenAccess |
Notes | This study was funded by the European Research Council under grant Template-assisted assembly of METAmaterials using MECHanical instabilities (METAMECH) ERC-2012-StG 306686. This work was also supported by the Deutsche Forschungsgemeinschaft (DFG) within the Cluster of Excellence ‘Center for Advancing Electronics Dresden’ (cfaed). M. T. wants to acknowledge funding by the Elite Network of Bavaria, the Bavarian Ministry of State according to the Bavarian elite promotion act (BayEFG), as well as the Alexander von Humboldt Foundation for a Feodor-Lynen Research Fellowship. 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. We thank Ken Harris from the National Research Council Canada for valuable discussion of the manuscript. (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); saraecas; ECAS_Sara; | Approved | Most recent IF: 7.367 | ||
Call Number | EMAT @ emat @ c:irua:144797UA @ admin @ c:irua:144797 | Serial | 4631 | ||
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Author | Schoelz, J.K.; Xu, P.; Meunier, V.; Kumar, P.; Neek-Amal, M.; Thibado, P.M.; Peeters, F.M. | ||||
Title | Graphene ripples as a realization of a two-dimensional Ising model : a scanning tunneling microscope study | Type | A1 Journal article | ||
Year | 2015 | Publication | Physical review: B: condensed matter and materials physics | Abbreviated Journal | Phys Rev B |
Volume | 91 | Issue | 91 | Pages | 045413 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | Ripples in pristine freestanding graphene naturally orient themselves in an array that is alternately curved-up and curved-down; maintaining an average height of zero. Using scanning tunneling microscopy (STM) to apply a local force, the graphene sheet will reversibly rise and fall in height until the height reaches 60%-70% of its maximum at which point a sudden, permanent jump occurs. We successfully model the ripples as a spin-half Ising magnetic system, where the height of the graphene plays the role of the spin. The permanent jump in height, controlled by the tunneling current, is found to be equivalent to an antiferromagnetic-to-ferromagnetic phase transition. The thermal load underneath the STM tip alters the local tension and is identified as the responsible mechanism for the phase transition. Four universal critical exponents are measured from our STM data, and the model provides insight into the statistical role of graphene's unusual negative thermal expansion coefficient. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Lancaster, Pa | Editor | ||
Language | Wos | 000348762200011 | Publication Date | 2015-01-12 | |
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 | 3.836 | Times cited | 21 | Open Access | |
Notes | ; This work was supported in part by Office of Naval Research (USA) under Grant No. N00014-10-1-0181 and National Science Foundation (USA) under Grant No. DMR-0855358. F. M. Peeters and M. Neek-Amal were supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem Foundation of the Flemish Government. ; | Approved | Most recent IF: 3.836; 2015 IF: 3.736 | ||
Call Number | c:irua:123866 | Serial | 1377 | ||
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Author | Schowalter, M.; Lamoen, D.; Kruse, P.; Gerthsen, D.; Rosenauer, A. | ||||
Title | First-principles calculations of the mean inner Coulomb potential for sphalerite type II.VI semiconductors | Type | A1 Journal article | ||
Year | 2004 | Publication | Applied Physics Letters | Abbreviated Journal | Appl Phys Lett |
Volume | 85 | Issue | 21 | Pages | 4938-4940 |
Keywords | A1 Journal article; Electron Microscopy for Materials Science (EMAT); | ||||
Abstract | |||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | American Institute of Physics | Place of Publication | New York, N.Y. | Editor | |
Language | Wos | 000225300600037 | Publication Date | 2004-11-24 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0003-6951; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.411 | Times cited | 16 | Open Access | |
Notes | Approved | Most recent IF: 3.411; 2004 IF: 4.308 | |||
Call Number | UA @ lucian @ c:irua:49657 | Serial | 1203 | ||
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Author | Schowalter, M.; Rosenauer, A.; Lamoen, D.; Kruse, P.; Gerthsen, D. | ||||
Title | Ab initio computation of the mean inner Coulomb potential of technological important semiconductors | Type | A1 Journal article | ||
Year | 2005 | Publication | Abbreviated Journal | ||
Volume | 1007 | Issue | Pages | 233-236 | |
Keywords | A1 Journal article; Electron Microscopy for Materials Science (EMAT); | ||||
Abstract | |||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Berlin | Editor | ||
Language | Wos | Publication Date | 0000-00-00 | ||
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0930-8989 | ISBN | Additional Links | UA library record; WoS full record; | |
Impact Factor | Times cited | Open Access | |||
Notes | Approved | Most recent IF: NA | |||
Call Number | UA @ lucian @ c:irua:72915 | Serial | 32 | ||
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Author | Schowalter, M.; Rosenauer, A.; Lamoen, D.; Kruse, P.; Gerthsen, D. | ||||
Title | Ab initio computation of the mean inner Coulomb potential of wurtzite-type semiconductors and gold | Type | A1 Journal article | ||
Year | 2006 | Publication | Applied Physics Letters | Abbreviated Journal | Appl Phys Lett |
Volume | 88 | Issue | 23 | Pages | Artn 232108 |
Keywords | A1 Journal article; Electron Microscopy for Materials Science (EMAT); | ||||
Abstract | |||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | American Institute of Physics | Place of Publication | New York, N.Y. | Editor | |
Language | Wos | 000238914500031 | Publication Date | 2006-06-19 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0003-6951; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.411 | Times cited | 8 | Open Access | |
Notes | Approved | Most recent IF: 3.411; 2006 IF: 3.977 | |||
Call Number | UA @ lucian @ c:irua:60581 | Serial | 33 | ||
Permanent link to this record | |||||
Author | Schowalter, M.; Rosenauer, A.; Titantah, J.T.; Lamoen, D. | ||||
Title | Calculation of Debye-Waller temperature factors for GaAs | Type | A1 Journal article | ||
Year | 2008 | Publication | Springer proceedings in physics | Abbreviated Journal | |
Volume | 120 | Issue | Pages | 195-198 | |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | |||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Berlin | Editor | ||
Language | Wos | Publication Date | 0000-00-00 | ||
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0930-8989 | ISBN | Additional Links | UA library record; WoS full record; | |
Impact Factor | Times cited | Open Access | |||
Notes | Approved | Most recent IF: NA | |||
Call Number | UA @ lucian @ c:irua:73966 | Serial | 266 | ||
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Author | Schowalter, M.; Rosenauer, A.; Titantah, J.T.; Lamoen, D. | ||||
Title | Computation and parametrization of the temperature dependence of Debye-Waller factors for group IV, III-V and II-VI semiconductors | Type | A1 Journal article | ||
Year | 2009 | Publication | Acta crystallographica: section A: foundations of crystallography | Abbreviated Journal | Acta Crystallogr A |
Volume | 65 | Issue | 1 | Pages | 5-17 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | We calculated the temperature dependence of the Debye-Waller factors for a variety of group IV, III-V and II-VI semiconductors from 0.1 to 1000 K. The approach used to fit the temperature dependence is described and resulting fit parameters are tabulated for each material. The Debye-Waller factors are deduced from generalized phonon densities of states which were derived from first principles using the WIEN2k and the ABINIT codes. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Copenhagen | Editor | ||
Language | Wos | 000261799500002 | Publication Date | 2008-11-05 | |
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 | 51 | 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:72918 | Serial | 453 | ||
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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 | 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 | ||
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Author | Schowalter, M.; Titantah, J.T.; Lamoen, D.; Kruse, P. | ||||
Title | Ab initio computation of the mean inner Coulomb potential of amorphous carbon structures | Type | A1 Journal article | ||
Year | 2005 | Publication | Applied physics letters | Abbreviated Journal | Appl Phys Lett |
Volume | 86 | Issue | Pages | 112102 | |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | |||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | American Institute of Physics | Place of Publication | New York, N.Y. | Editor | |
Language | Wos | 000228050700042 | Publication Date | 2005-03-04 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0003-6951; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.411 | Times cited | 15 | Open Access | |
Notes | Approved | Most recent IF: 3.411; 2005 IF: 4.127 | |||
Call Number | UA @ lucian @ c:irua:51764 | Serial | 31 | ||
Permanent link to this record |