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Author Van de Put, M.L.; Sorée, B.; Magnus, W.
Title Efficient solution of the Wigner-Liouville equation using a spectral decomposition of the force field Type A1 Journal article
Year 2017 Publication Journal of computational physics Abbreviated Journal J Comput Phys
Volume 350 Issue Pages 314-325
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The Wigner-Liouville equation is reformulated using a spectral decomposition of the classical force field instead of the potential energy. The latter is shown to simplify the Wigner-Liouville kernel both conceptually and numerically as the spectral force Wigner-Liouville equation avoids the numerical evaluation of the highly oscillatory Wigner kernel which is nonlocal in both position and momentum. The quantum mechanical evolution is instead governed by a term local in space and non-local in momentum, where the non locality in momentum has only a limited range. An interpretation of the time evolution in terms of two processes is presented; a classical evolution under the influence of the averaged driving field, and a probability-preserving quantum-mechanical generation and annihilation term. Using the inherent stability and reduced complexity, a direct deterministic numerical implementation using Chebyshev and Fourier pseudo-spectral methods is detailed. For the purpose of illustration, we present results for the time evolution of a one-dimensional resonant tunneling diode driven out of equilibrium. (C) 2017 Elsevier Inc. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication (down) New York Editor
Language Wos 000413379000016 Publication Date 2017-09-02
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-9991 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.744 Times cited 5 Open Access
Notes ; ; Approved Most recent IF: 2.744
Call Number UA @ lucian @ c:irua:146630 Serial 4780
Permanent link to this record
 
 
Author Verreck, D.; Verhulst, A.S.; Van de Put, M.L.; Sorée, B.; Magnus, W.; Collaert, N.; Mocuta, A.; Groeseneken, G.
Title Self-consistent 30-band simulation approach for (non-)uniformly strained confined heterostructure tunnel field-effect transistors Type P1 Proceeding
Year 2017 Publication Simulation of Semiconductor Processes and, Devices (SISPAD)AND DEVICES (SISPAD 2017) Abbreviated Journal
Volume Issue Pages 29-32
Keywords P1 Proceeding; Condensed Matter Theory (CMT)
Abstract Heterostructures of III-V materials under a mechanical strain are being actively researched to enhance the performance of the tunnel field-effect transistor (TFET). In scaled III-V device structures, however, the interplay between the effects of strain and quantum confinement on the semiconductor band structure and hence the performance is highly non-trivial. We have therefore developed a computationally efficient quantum mechanical simulator Pharos, which enables self-consistent full-zone k.p-based simulations of III-V TFETs under a general non-uniform strain. We present the self-consistent procedure and demonstrate it on confined staggered bandgap GaAs0.5Sb0.5/In0.53Ga0.47As TFETs. We find a large performance degradation due to size-induced quantum confinement compared to non-confined devices. We show that some performance can be regained either by applying a uniform biaxial tensile strain or through the non-uniform strain profile at a lattice-mismatched heterostructure.
Address
Corporate Author Thesis
Publisher Ieee Place of Publication (down) New york Editor
Language Wos Publication Date
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 978-4-86348-610-2 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:149949 Serial 4978
Permanent link to this record
 
 
Author Du, C.; Hoefnagels, J.P.M.; Kolling, S.; Geers, M.G.D.; Sietsma, J.; Petrov, R.; Bliznuk, V.; Koenraad, P.M.; Schryvers, D.; Amin-Ahmadi, B.
Title Martensite crystallography and chemistry in dual phase and fully martensitic steels Type A1 Journal article
Year 2018 Publication Materials characterization Abbreviated Journal Mater Charact
Volume 139 Issue Pages 411-420
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Lath martensite is important in industry because it is the key strengthening component in many advanced high strength steels. The study of crystallography and chemistry of lath martensite is extensive in the literature, however, mostly based on fully martensitic steels. In this work, lath martensite in dual phase steels is investigated with a focus on the substructure identification of the martensite islands and microstructural bands using electron backscattered diffraction, and on the influence of the accompanied tempering process during industrial coating process on the distribution of alloying elements using atom probe tomography. Unlike findings for the fully martensitic steels, no martensite islands with all 24 Kurdjumov-Sachs variants have been observed. Almost all martensite islands contain only one main packet with all six variants and minor variants from the remaining three packets of the same prior austenite grain. Similarly, the martensite bands are typically composed of connected domains originating from prior austenite grains, each containing one main packets (mostly with all variants) and few separate variants. The effect of tempering at similar to 450 degrees C (due to the industrial zinc coating process) has also been investigated. The results show a strong carbon partitioning to lath boundaries and Cottrell atmospheres at dislocation core regions due to the thermal process of coating. In contrast, auto-tempering contributes to the carbon redistribution only in a limited manner. The substitutional elements are all homogenously distributed. The phase transformation process has two effects on the material: mechanically, the earlier-formed laths are larger and softer and therefore more ductile (as revealed by nanoindentation); chemically, due to the higher dislocation density inside the later-formed laths, which are generally smaller, carbon Cottrell atmospheres are predominantly observed.
Address
Corporate Author Thesis
Publisher Place of Publication (down) New York Editor
Language Wos 000431469300044 Publication Date 2018-03-09
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1044-5803 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.714 Times cited Open Access Not_Open_Access
Notes Approved Most recent IF: 2.714
Call Number UA @ lucian @ c:irua:151554 Serial 5033
Permanent link to this record
 
 
Author Raveau, B.; Hervieu, M.; Michel, C.; Martin, C.; Maignan, A.; Van Tendeloo, G.
Title Crystal chemistry of mercury based layered cuprates and oxycarbonates Type H3 Book chapter
Year 1995 Publication Abbreviated Journal
Volume Issue Pages 132-149
Keywords H3 Book chapter; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Narosa Place of Publication (down) New Delhi Editor
Language Wos Publication Date 0000-00-00
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 @ lucian @ c:irua:13313 Serial 552
Permanent link to this record
 
 
Author Klingstedt, M.; Sundberg, M.; Eriksson, L.; Haigh, S.; Kirkland, A.; Grüner, D.; de Backer, A.; Van Aert, S.; Tarasaki, O.
Title Exit wave reconstruction from focal series of HRTEM images, single crystal XRD and total energy studies on SbxWO3+y (x\sim0.11) Type A1 Journal article
Year 2012 Publication Zeitschrift für Kristallographie Abbreviated Journal Z Krist-Cryst Mater
Volume 227 Issue 6 Pages 341-349
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract A new tungsten bronze in the SbWO system has been prepared in a solid state reaction from Sb2O3, WO3 and W metal powder. The average structure was determined by single crystal X-ray diffraction. SbxWO3+y (x ∼ 0.11) crystallizes in the orthorhombic space group Pm21n (no. 31), a = 27.8135(9) Å, b = 7.3659(2) Å and c = 3.8672(1) Å. The structure belongs to the (n)-ITB class of intergrowth tungsten bronzes. It contains slabs of hexagonal channels formed by six WO6 octahedra. These slabs are separated by three layers of WO6 octahedra that are arranged in a WO3-type fashion. The WO6 octahedra share all vertices to build up a three-dimensional framework. The hexagonal channels are filled with Sb atoms to ∼80% and additional O atoms. The atoms are shifted out of the center of the channels. Exit-wave reconstruction of focal series of high resolution-transmission-electron-microscope (HRTEM) images combined with statistical paramäeter estimation techniques allowed to study local ordering in the channels. Sb atoms in neighbouring channels tend to be displaced in the same direction, which is in agreement with total energy calculations on ordered structure models, but the ratio of the occupation of the two possible Sb sites varies from channel to channel. The structure of SbxWO3+y exhibits pronounced local modulations.
Address
Corporate Author Thesis
Publisher Place of Publication (down) München Editor
Language Wos 000307314200003 Publication Date 2012-06-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2194-4946; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.179 Times cited 4 Open Access
Notes Fwo; Esteem 026019 Approved Most recent IF: 3.179; 2012 IF: NA
Call Number UA @ lucian @ c:irua:101218 Serial 1131
Permanent link to this record
 
 
Author Kovnir, K.A.; Abramchuk, N.S.; Zaikina, J.V.; Baitinger, M.; Burkhardt, U.; Schnelle, W.; Olenev, A.V.; Lebedev, O.I.; Van Tendeloo, G.; Dikarev, E.V.; Shevelkov, A.V.
Title Ge40.0Te5.3I8: synthesis, crystal structure, and properties of a new clathrate-I compound Type A1 Journal article
Year 2006 Publication Zeitschrift für Kristallographie Abbreviated Journal Z Krist-Cryst Mater
Volume 221 Issue 5/7 Pages 527-532
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication (down) München Editor
Language Wos 000239321400026 Publication Date 2006-07-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2196-7105;2194-4946; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.179 Times cited 16 Open Access
Notes Hprn-Ct Approved Most recent IF: 3.179; 2006 IF: NA
Call Number UA @ lucian @ c:irua:60122 Serial 3534
Permanent link to this record
 
 
Author Martin, J.M.L.; François, J.P.; Gijbels, R.; Almlöf, J.
Title Structure and infrared spectroscopy of the C11 molecule Type MA3 Book as author
Year 1991 Publication Abbreviated Journal
Volume Issue Pages
Keywords MA3 Book as author; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher University of Minnesota Place of Publication (down) Minneapolis, Minn. Editor
Language Wos Publication Date 0000-00-00
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
Call Number UA @ lucian @ c:irua:717 Serial 3280
Permanent link to this record
 
 
Author Bogaerts, A.; van Straaten, M.; Gijbels, R.
Title Mathematical modelling of an analytical glow discharge Type H3 Book chapter
Year 1995 Publication Abbreviated Journal
Volume Issue Pages 82-90
Keywords H3 Book chapter; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher KD Marketing Services Place of Publication (down) Milton Keynes Editor
Language Wos Publication Date 0000-00-00
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 @ lucian @ c:irua:10257 Serial 1957
Permanent link to this record
 
 
Author Sobrino Fernandez, M.; Misko, V.R.; Peeters, F.M.
Title Self-assembly of Janus particles into helices with tunable pitch Type A1 Journal article
Year 2015 Publication Physical review : E : statistical, nonlinear, and soft matter physics Abbreviated Journal Phys Rev E
Volume 92 Issue 92 Pages 042309
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Janus particles present an important class of building blocks for directional assembly. These are compartmentalized colloids with two different hemispheres. In this work we consider a three-dimensional model of Janus spheres that contain one hydrophobic and one charged hemisphere. Using molecular dynamics simulations, we study the morphology of these particles when confined in a channel-like environment. The interplay between the attractive and repulsive forces on each particle gives rise to a rich phase space where the relative orientation of each particle plays a dominant role in the formation of large-scale clusters. The interest in this system is primarily due to the fact that it could give a better understanding of the mechanisms of the formation of polar membranes. A variety of ordered membranelike morphologies is found consisting of single and multiple connected chain configurations. The helicity of these chains can be chosen by simply changing the salt concentration of the solution. Special attention is given to the formation of Bernal spirals. These helices are composed of regular tetrahedra and are known to exhibit nontrivial translational and rotational symmetry.
Address
Corporate Author Thesis
Publisher American Physical Society Place of Publication (down) Melville, N.Y. Editor
Language Wos 000362903700004 Publication Date 2015-10-15
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1539-3755; 1550-2376 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.366 Times cited 18 Open Access
Notes ; This work was supported by the Fund for Scientific Research Flanders (FWO) and by the “Odysseus” program of the Flemish government and FWO. ; Approved Most recent IF: 2.366; 2015 IF: 2.288
Call Number UA @ lucian @ c:irua:129416 Serial 4241
Permanent link to this record
 
 
Author Van Duppen, B.; Peeters, F.M.
Title Comment on “Chiral tunneling in trilayer graphene” [Appl. Phys. Lett. 100, 163102 (2012)] Type Editorial
Year 2012 Publication Applied physics letters Abbreviated Journal Appl Phys Lett
Volume 101 Issue 22 Pages 226101-1
Keywords Editorial; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Amer inst physics Place of Publication (down) Melville Editor
Language Wos 000311967000107 Publication Date 2012-11-29
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 7 Open Access
Notes ; ; Approved Most recent IF: 3.411; 2012 IF: 3.794
Call Number UA @ lucian @ c:irua:105999 Serial 408
Permanent link to this record
 
 
Author Silhanek, A.V.; van de Vondel, J.; Moshchalkov, V.V.; Metlushko, V.; Ilic, B.; Misko, V.R.; Peeters, F.M.
Title Comment on “Transverse rectification in superconducting thin films with arrays of asymmetric defects” Type Editorial
Year 2008 Publication Applied physics letters Abbreviated Journal Appl Phys Lett
Volume 92 Issue 17 Pages
Keywords Editorial; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Amer inst physics Place of Publication (down) Melville Editor
Language Wos 000255524000100 Publication Date 2008-05-04
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 20 Open Access
Notes Approved Most recent IF: 3.411; 2008 IF: 3.726
Call Number UA @ lucian @ c:irua:68867 Serial 412
Permanent link to this record
 
 
Author Baelus, B.J.; Kanda, A.; Peeters, F.M.; Ootuka, Y.; Kadowaki
Title Different temperature dependence of the phase boundary for multivortex and giant vortex states in mesoscopic superconductors Type P1 Proceeding
Year 2006 Publication AIP conference proceedings T2 – 24th International Conference on Low Temperature Physics (LT24), AUG 10-17, 2005, Orlando, FL Abbreviated Journal
Volume Issue Pages 743-744
Keywords P1 Proceeding; Condensed Matter Theory (CMT)
Abstract Within the framework of the nonlinear Ginzburg-Landau theory, we calculated the full phase diagram for a superconducting disk with radius R = 4 (T = 0) and we studied the behavior of the penetration and expulsion fields as a function of temperature for multivortex and giant vortex states.
Address
Corporate Author Thesis
Publisher Amer inst physics Place of Publication (down) Melville Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume 850 Series Issue Part a-b Edition
ISSN 0-7354-0347-3; 0094-243x 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:103642 Serial 696
Permanent link to this record
 
 
Author Yagmurcukardes, M.; Peeters, F.M.; Senger, R.T.; Sahin, H.
Title Nanoribbons: From fundamentals to state-of-the-art applications Type A1 Journal article
Year 2016 Publication Applied physics reviews Abbreviated Journal Appl Phys Rev
Volume 3 Issue 3 Pages 041302
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Atomically thin nanoribbons (NRs) have been at the forefront of materials science and nanoelectronics in recent years. State-of-the-art research on nanoscale materials has revealed that electronic, magnetic, phononic, and optical properties may differ dramatically when their one-dimensional forms are synthesized. The present article aims to review the recent advances in synthesis techniques and theoretical studies on NRs. The structure of the review is organized as follows: After a brief introduction to low dimensional materials, we review different experimental techniques for the synthesis of graphene nanoribbons (GNRs) with their advantages and disadvantages. In addition, theoretical investigations on width and edge-shape-dependent electronic and magnetic properties, functionalization effects, and quantum transport properties of GNRs are reviewed. We then devote time to the NRs of the transition metal dichalcogenides (TMDs) family. First, various synthesis techniques, E-field-tunable electronic and magnetic properties, and edge-dependent thermoelectric performance of NRs of MoS2 and WS2 are discussed. Then, strongly anisotropic properties, growth-dependent morphology, and the weakly width-dependent bandgap of ReS2 NRs are summarized. Next we discuss TMDs having a T-phase morphology such as TiSe2 and stable single layer NRs of mono-chalcogenides. Strong edge-type dependence on characteristics of GaS NRs, width-dependent Seebeck coefficient of SnSe NRs, and experimental analysis on the stability of ZnSe NRs are reviewed. We then focus on the most recently emerging NRs belonging to the class of transition metal trichalcogenides which provide ultra-high electron mobility and highly anisotropic quasi-1D properties. In addition, width-, edge-shape-, and functionalization-dependent electronic and mechanical properties of blackphosphorus, a monoatomic anisotropic material, and studies on NRs of group IV elements (silicene, germanene, and stanene) are reviewed. Observation of substrate-independent quantum well states, edge and width dependent properties, the topological phase of silicene NRs are reviewed. In addition, H-2 concentration-dependent transport properties and anisotropic dielectric function of GeNRs and electric field and strain sensitive I-V characteristics of SnNRs are reviewed. We review both experimental and theoretical studies on the NRs of group III-V compounds. While defect and N-termination dependent conductance are highlighted for boron nitride NRs, aluminum nitride NRs are of importance due to their dangling bond, electric field, and strain dependent electronic and magnetic properties. Finally, superlattice structure of NRs of GaN/AlN, Si/Ge, G/BN, and MoS2/WS2 is reviewed. Published by AIP Publishing.
Address
Corporate Author Thesis
Publisher Amer inst physics Place of Publication (down) Melville Editor
Language Wos 000390443800013 Publication Date 2016-11-14
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1931-9401 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 13.667 Times cited 63 Open Access
Notes ; Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H.S. acknowledges the support from Bilim Akademisi-The Science Academy, Turkey under the BAGEP program. R.T.S. acknowledges the support from TUBITAK through Project No. 114F397. F.M.P. was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem program. ; Approved Most recent IF: 13.667
Call Number UA @ lucian @ c:irua:140299 Serial 4457
Permanent link to this record
 
 
Author Zografos, O.; Dutta, S.; Manfrini, M.; Vaysset, A.; Sorée, B.; Naeemi, A.; Raghavan, P.; Lauwereins, R.; Radu, I.P.
Title Non-volatile spin wave majority gate at the nanoscale Type A1 Journal article
Year 2017 Publication AIP advances T2 – 61st Annual Conference on Magnetism and Magnetic Materials (MMM), OCT 31-NOV 04, 2016, New Orleans, LA Abbreviated Journal Aip Adv
Volume 7 Issue 5 Pages 056020
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract A spin wave majority fork-like structure with feature size of 40 nm, is presented and investigated, through micromagnetic simulations. The structure consists of three merging out-of-plane magnetization spin wave buses and four magneto-electric cells serving as three inputs and an output. The information of the logic signals is encoded in the phase of the transmitted spin waves and subsequently stored as direction of magnetization of the magneto-electric cells upon detection. The minimum dimensions of the structure that produce an operational majority gate are identified. For all input combinations, the detection scheme employed manages to capture the majority phase result of the spin wave interference and ignore all reflection effects induced by the geometry of the structure. (C) 2017 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/).
Address
Corporate Author Thesis
Publisher Amer inst physics Place of Publication (down) Melville Editor
Language Wos 000402797100177 Publication Date 2017-02-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2158-3226 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.568 Times cited 13 Open Access
Notes ; ; Approved Most recent IF: 1.568
Call Number UA @ lucian @ c:irua:144288 Serial 4673
Permanent link to this record
 
 
Author Vishwakarma, M.; Thota, N.; Karakulina, O.; Hadermann, J.; Mehta, B.R.
Title Role of graphene inter layer on the formation of the MoS2 – CZTS interface during growth Type P1 Proceeding
Year 2018 Publication (icc-2017) Abbreviated Journal
Volume Issue Pages
Keywords P1 Proceeding; Electron microscopy for materials research (EMAT)
Abstract The growth of MoS2 layer near the Mo/CZTS interface during sulphurization process can have an impact on back contact cell parameters (series resistance and fill factor) depending upon the thickness or quality of MoS2. This study reports the dependence of the thickness of interfacial MoS2 layer on the growth of graphene at the interface between molybdenum back contact and deposited CZTS layer. The graphene layer reduces the accumulation of Zn/ZnS, Sn/SnO2 and formation of pores near the MoS2-CZTS interface. The use of graphene as interface layer can be potentially useful for improving the quality of Mo/MoS2/CZTS interface.
Address
Corporate Author Thesis
Publisher Amer inst physics Place of Publication (down) Melville Editor
Language Wos 000436313003046 Publication Date 2018-05-09
Series Editor Series Title Abbreviated Series Title
Series Volume 1953 Series Issue Edition
ISSN 978-0-7354-1648-2; 0094-243x; 0094-243x ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 1 Open Access OpenAccess
Notes ; The authors acknowledge support provided by DST project. M.V. acknowledges IIT Delhi for MHRD fellowship. Prof. B. R. Mehta acknowledges the support of the Schlumberger chair professorship. ; Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:153203 Serial 5126
Permanent link to this record
 
 
Author Leenaerts, O.; Partoens, B.; Peeters, F.M.
Title Adsorption of small molecules on graphene Type A1 Journal article
Year 2009 Publication Microelectronics journal Abbreviated Journal Microelectron J
Volume 40 Issue 4/5 Pages 860-862
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We investigate the adsorption process of small molecules on graphene through first-principles calculations and show the presence of two main charge transfer mechanisms. Which mechanism is the dominant one depends on the magnetic properties of the adsorbing molecules. We explain these mechanisms through the density of states of the system and the molecular orbitals of the adsorbates, and demonstrate the possible difficulties in calculating the charge transfer from first principles between a graphene sheet and a molecule. Our results are in good agreement with experiment.
Address
Corporate Author Thesis
Publisher Place of Publication (down) Luton Editor
Language Wos 000265870200058 Publication Date 2008-12-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0026-2692; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.163 Times cited 116 Open Access
Notes Approved Most recent IF: 1.163; 2009 IF: 0.778
Call Number UA @ lucian @ c:irua:77030 Serial 65
Permanent link to this record
 
 
Author Li, B.; Partoens, B.; Peeters, F.M.; Magnus, W.
Title Dielectric mismatch effect on coupled impurity states in a freestanding nanowire Type A1 Journal article
Year 2009 Publication Microelectronics journal Abbreviated Journal Microelectron J
Volume 40 Issue 3 Pages 446-448
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We studied the coupled impurity states in a freestanding semiconductor nanowire (NW), within the effective mass approximation and including the effect of the dielectric mismatch, by using finite element method. Bonding and anti-bonding states are found and their energies converge with increasing distance di between the two impurities. The dependence of the binding energy on the wire radius R and the distance di between the two impurities is investigated, and we compare it with the result of a freestanding NW that contains a single impurity.
Address
Corporate Author Thesis
Publisher Place of Publication (down) Luton Editor
Language Wos 000264694700017 Publication Date 2008-07-30
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0026-2692; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.163 Times cited 4 Open Access
Notes Approved Most recent IF: 1.163; 2009 IF: 0.778
Call Number UA @ lucian @ c:irua:76410 Serial 690
Permanent link to this record
 
 
Author Slachmuylders, A.F.; Partoens, B.; Magnus, W.; Peeters, F.M.
Title Neutral shallow donors near a metallic interface Type A1 Journal article
Year 2009 Publication Microelectronics journal Abbreviated Journal Microelectron J
Volume 40 Issue 4/5 Pages 753-755
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The effect of a metallic gate on the bound states of a shallow donor located near the gate is studied. We calculate the energy spectrum as a function of the distance between the metallic gate and the donor and find an anti-crossing behavior in the energy levels for certain distances. We show how a transverse electric field can tune the average position of the electron with respect to the metallic gate and the impurity.
Address
Corporate Author Thesis
Publisher Place of Publication (down) Luton Editor
Language Wos 000265870200024 Publication Date 2009-02-04
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0026-2692; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.163 Times cited 1 Open Access
Notes Approved Most recent IF: 1.163; 2009 IF: 0.778
Call Number UA @ lucian @ c:irua:77029 Serial 2296
Permanent link to this record
 
 
Author Milton Pereira, J.; Vasilopoulos, P.; Peeters, F.M.
Title Resonant tunneling in graphene microstructures Type A1 Journal article
Year 2008 Publication Microelectronics journal Abbreviated Journal Microelectron J
Volume 39 Issue 3-4 Pages 534-536
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication (down) Luton Editor
Language Wos 000255600600055 Publication Date 2007-08-30
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0026-2692; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.163 Times cited 9 Open Access
Notes Approved Most recent IF: 1.163; 2008 IF: 0.859
Call Number UA @ lucian @ c:irua:68850 Serial 2892
Permanent link to this record
 
 
Author Mlinar, V.; Peeters, F.M.
Title Theoretical study of InAs/GaAs quantum dots grown on [11k] substrates in the presence of a magnetic field Type A1 Journal article
Year 2006 Publication Microelectronics journal Abbreviated Journal Microelectron J
Volume 37 Issue 12 Pages 1427-1429
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication (down) Luton Editor
Language Wos 000242907400002 Publication Date 2006-07-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0026-2692; ISBN Additional Links UA library record; WoS full record
Impact Factor 1.163 Times cited Open Access
Notes Approved Most recent IF: 1.163; 2006 IF: 0.651
Call Number UA @ lucian @ c:irua:62325 Serial 3612
Permanent link to this record
 
 
Author Mlinar, V.; Peeters, F.M.
Title Tuning of the optical properties of (11k) grown InAs quantum dots by the capping layer Type A1 Journal article
Year 2008 Publication Microelectronics journal Abbreviated Journal Microelectron J
Volume 39 Issue 3-4 Pages 359-361
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication (down) Luton Editor
Language Wos 000255600600013 Publication Date 2007-09-05
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0026-2692; ISBN Additional Links UA library record; WoS full record
Impact Factor 1.163 Times cited Open Access
Notes Approved Most recent IF: 1.163; 2008 IF: 0.859
Call Number UA @ lucian @ c:irua:68849 Serial 3753
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Author Janssens, K.L.; Partoens, B.; Peeters, F.M.
Title Type II quantum dots in magnetic fields: excitonic behaviour Type A1 Journal article
Year 2003 Publication Microelectronics journal Abbreviated Journal Microelectron J
Volume 34 Issue Pages 347-350
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication (down) Luton Editor
Language Wos 000183607400007 Publication Date 2003-04-23
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0026-2692; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.163 Times cited 1 Open Access
Notes Approved Most recent IF: 1.163; 2003 IF: 0.565
Call Number UA @ lucian @ c:irua:62450 Serial 3790
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Author Tyablikov, O.A.; Batuk, D.; Tsirlin, A.A.; Batuk, M.; Verchenko, V.Y.; Filimonov, D.S.; Pokholok, K.V.; Sheptyakov, D.V.; Rozova, M.G.; Hadermann, J.; Antipov, E.V.; Abakumov, A.M.;
Title {110}-Layered B-cation ordering in the anion-deficient perovskite Pb2.4Ba2.6Fe2Sc2TiO13 with the crystallographic shear structure Type A1 Journal article
Year 2015 Publication Journal of the Chemical Society : Dalton transactions Abbreviated Journal Dalton T
Volume 44 Issue 44 Pages 10753-10762
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract A novel anion-deficient perovskite-based compound, Pb2.4Ba2.6Fe2Sc2TiO13, was synthesized via the citrate-based route. This compound is an n = 5 member of the A(n)B(n)O(3n-2) homologous series with unit-cell parameters related to the perovskite subcell a(p) approximate to 4.0 angstrom as a(p)root 2 x a(p) x 5a(p)root 2. The crystal structure of Pb2.4Ba2.6Fe2Sc2TiO13 consists of quasi-2D perovskite blocks with a thickness of three octahedral layers separated by the 1/2[110]((1) over bar 01)(p) crystallographic shear (CS) planes, which are parallel to the {110} plane of the perovskite subcell. The CS planes transform the corner-sharing octahedra into chains of edge-sharing distorted tetragonal pyramids. Using a combination of neutron powder diffraction, Fe-57 Mossbauer spectroscopy and atomic resolution electron energy-loss spectroscopy we demonstrate that the B-cations in Pb2.4Ba2.6Fe2Sc2TiO13 are ordered along the {110} perovskite layers with Fe3+ in distorted tetragonal pyramids along the CS planes, Ti4+ preferentially in the central octahedra of the perovskite blocks and Sc3+ in the outer octahedra of the perovskite blocks. Magnetic susceptibility and Mossbauer spectroscopy indicate a broadened magnetic transition around T-N similar to 45 K and the onset of local magnetic fields at low temperatures. The magnetic order is probably reminiscent of that in other A(n)B(n)O(3n-2) homologues, where G-type AFM order within the perovskite blocks has been observed.
Address
Corporate Author Thesis
Publisher Place of Publication (down) London Editor
Language Wos 000355701000026 Publication Date 2015-01-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1477-9226;1477-9234; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.029 Times cited 1 Open Access
Notes Approved Most recent IF: 4.029; 2015 IF: 4.197
Call Number c:irua:127001 Serial 22
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Author van Straaten, M.; Swenters, K.; Gijbels, R.; Verlinden, J.; Adriaenssens, E.
Title Analysis of platinum powder by glow discharge mass spectrometry Type A1 Journal article
Year 1994 Publication Journal of analytical atomic spectrometry Abbreviated Journal J Anal Atom Spectrom
Volume 9 Issue Pages 1389-1397
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication (down) London Editor
Language Wos A1994PY14900012 Publication Date 2004-04-20
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 3.466 Times cited 17 Open Access
Notes Approved no
Call Number UA @ lucian @ c:irua:10253 Serial 103
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Author Abakumov, A.M.; Hadermann, J.; Van Tendeloo, G.; Shpanchenko, R.V.; Oleinikov, P.N.; Antipov, E.V.
Title Anion ordering in fluorinated La2CuO4 Type A1 Journal article
Year 1999 Publication Journal of solid state chemistry Abbreviated Journal J Solid State Chem
Volume 142 Issue Pages 311-322
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication (down) London Editor
Language Wos 000078597400024 Publication Date 2002-10-07
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 20 Open Access
Notes Approved Most recent IF: 2.299; 1999 IF: 1.547
Call Number UA @ lucian @ c:irua:29277 Serial 121
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Author Goris, B.; Bals, S.; van den Broek, W.; Carbó-Argibay, E.; Gómez-Graña, S.; Liz-Marzán, L.M.; Van Tendeloo, G.
Title Atomic-scale determination of surface facets in gold nanorods Type A1 Journal article
Year 2012 Publication Nature materials Abbreviated Journal Nat Mater
Volume 11 Issue 11 Pages 930-935
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract It is widely accepted that the physical properties of nanostructures depend on the type of surface facets1, 2. For Au nanorods, the surface facets have a major influence on crucial effects such as reactivity and ligand adsorption and there has been controversy regarding facet indexing3, 4. Aberration-corrected electron microscopy is the ideal technique to study the atomic structure of nanomaterials5, 6. However, these images correspond to two-dimensional (2D) projections of 3D nano-objects, leading to an incomplete characterization. Recently, much progress was achieved in the field of atomic-resolution electron tomography, but it is still far from being a routinely used technique. Here we propose a methodology to measure the 3D atomic structure of free-standing nanoparticles, which we apply to characterize the surface facets of Au nanorods. This methodology is applicable to a broad range of nanocrystals, leading to unique insights concerning the connection between the structure and properties of nanostructures.
Address
Corporate Author Thesis
Publisher Place of Publication (down) London Editor
Language Wos 000310434600015 Publication Date 2012-10-19
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1476-1122;1476-4660; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 39.737 Times cited 261 Open Access
Notes 262348 ESMI; Hercules 3; 24691 COUNTATOMS; 267867 PLASMAQUO Approved Most recent IF: 39.737; 2012 IF: 35.749
Call Number UA @ lucian @ c:irua:101778 Serial 182
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Author Yang, T.; Perkisas, T.; Hadermann, J.; Croft, M.; Ignatov, A.; Greenblatt, M.
Title B-site ordered perovskite LaSrMnNbO6 : synthesis, structure and antiferromagnetism Type A1 Journal article
Year 2010 Publication Journal of solid state chemistry Abbreviated Journal J Solid State Chem
Volume 183 Issue 11 Pages 2689-2694
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract LaSrMnNbO6 has been synthesized by high temperature solid state reaction under 1% H2/Ar dynamic flow. The structure is determined by Rietveld refinement of the powder X-ray diffraction data. It crystallizes in the monoclinic space group P21/n with the unit cell parameters: a=5.69187(12), b=5.74732(10), c=8.07018(15) Å and β=90.0504(29)°, which were also confirmed by electron diffraction. The Mn2+ and Nb5+ ions, whose valence states are confirmed by X-ray absorption near-edge spectroscopy, are almost completely ordered over the B-site (<1% inversion) of the perovskite structure due to the large differences of both cationic size (0.19 Å) and charge. The octahedral framework displays significant tilting distortion according to Glazers tilt system a−b−c+. Upon heating, LaSrMnNbO6 decomposes at 690 °C under O2 flow or at 775 °C in air. The magnetic susceptibility data indicate the presence of long-range antiferromagnetic ordering at TN=8 K; the experimentally observed effective paramagnetic moment, μeff=5.76 μB for high spin Mn2+ (3d5, S=5/2) is in good agreement with the calculated value (μcalcd=5.92 μB).
Address
Corporate Author Thesis
Publisher Place of Publication (down) London Editor
Language Wos 000284179800028 Publication Date 2010-09-13
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 13 Open Access
Notes Esteem 026019 Approved Most recent IF: 2.299; 2010 IF: 2.261
Call Number UA @ lucian @ c:irua:85805 Serial 212
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Author Helm, M.; Hilber, W.; Fromherz, T.; Peeters, F.M.; Alavi, K.; Pathak, R.N.
Title Bloch and localized electrons in semiconductor superlattices Type A1 Journal article
Year 1994 Publication Semiconductor science and technology Abbreviated Journal Semicond Sci Tech
Volume 9 Issue Pages 1989-1993
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication (down) London Editor
Language Wos A1994PT27100023 Publication Date 2002-08-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0268-1242;1361-6641; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.19 Times cited 1 Open Access
Notes Approved no
Call Number UA @ lucian @ c:irua:9370 Serial 244
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Author Neek-Amal, M.; Peeters, F.M.
Title Buckled circular monolayer graphene : a graphene nano-bowl Type A1 Journal article
Year 2011 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat
Volume 23 Issue 4 Pages 045002-045002,8
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We investigate the stability of circular monolayer graphene subjected to a radial load using non-equilibrium molecular dynamics simulations. When monolayer graphene is radially stressed, after some small circular strain (~0.4%) it buckles and bends into a new bowl-like shape. Young's modulus is calculated from the linear relation between stress and strain before the buckling threshold, which is in agreement with experimental results. The prediction of elasticity theory for the buckling threshold of a radially stressed plate is presented and its results are compared to the one of our atomistic simulation. The Jarzynski equality is used to estimate the difference between the free energy of the non-compressed states and the buckled states. From a calculation of the free energy we obtain the optimum radius for which the system feels the minimum boundary stress.
Address
Corporate Author Thesis
Publisher Place of Publication (down) London Editor
Language Wos 000286142800003 Publication Date 2010-12-16
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 27 Open Access
Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Belgian Science Policy (IAP). ; Approved Most recent IF: 2.649; 2011 IF: 2.546
Call Number UA @ lucian @ c:irua:88043 Serial 259
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Author Van Tendeloo, G.; De Meulenaere, P.; Letouzé, F.; Martin, C.; Hervieu, M.; Raveau, B.
Title Cation ordering in [(Tl, M)O] layers of “1202”-based cuprates : similarity to ordering in fcc-based alloys Type A1 Journal article
Year 1997 Publication Journal of solid state chemistry Abbreviated Journal J Solid State Chem
Volume 132 Issue Pages 113-122
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract ''1201'' Tl-based substituted cuprates of the type (Tl1-xMx) Sr2CuO5 have been synthesized for M = Nb, Ta, or W. These materials do not superconduct due to a statistical distribution of some of the M for Cu. The remarkable feature of these materials is the ordering observed between Tl and M in the (Tl1-xMx-epsilon)O plane. The type of ordering depends on the composition and shows remarkable similarities with the ordering in Ni-Mo or other so-called 1 1/2 0 type fcc-based alloys or with the ordering in rocksalt oxides TiOx. The short-range order, for M = W, can be readily interpreted in terms of a mixing of nano-clusters with two different compositions. These observations of two-dimensional ordering confirm recent ideas about ordering in three-dimensional fcc-based alloys.
Address
Corporate Author Thesis
Publisher Place of Publication (down) London Editor
Language Wos A1997XY68900015 Publication Date 2002-10-07
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 2 Open Access
Notes Approved Most recent IF: 2.299; 1997 IF: 1.486
Call Number UA @ lucian @ c:irua:21448 Serial 299
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