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Author Zhang, Y.; Jiang, W.; Zhang, Q.Z.; Bogaerts, A.
Title Computational study of plasma sustainability in radio frequency micro-discharges Type A1 Journal article
Year 2014 Publication Journal of applied physics Abbreviated Journal J Appl Phys
Volume 115 Issue (up) 19 Pages 193301-193311
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract We apply an implicit particle-in-cell Monte-Carlo (PIC-MC) method to study a radio-frequency argon microdischarge at steady state in the glow discharge limit, in which the microdischarge is sustained by secondary electron emission from the electrodes. The plasma density, electron energy distribution function (EEDF), and electron temperature are calculated in a wide range of operating conditions, including driving voltage, microdischarge gap, and pressure. Also, the effect of gap size scaling (in the range of 50-1000 μm) on the plasma sustaining voltage and peak electron density at atmospheric pressure is examined, which has not been explored before. In our simulations, three different EEDFs, i.e., a so-called three temperature hybrid mode, a two temperature α mode, and a two temperature γ mode distribution, are identified at different gaps and voltages. The maximum sustaining voltage to avoid a transition from the glow mode to an arc is predicted, as well as the minimum sustaining voltage for a steady glow discharge. Our calculations elucidate that secondary electrons play an essential role in sustaining the discharge, and as a result the relationship between breakdown voltage and gap spacing is far away from the Paschen law at atmospheric pressure.
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000336920200010 Publication Date 2014-05-16
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-8979;1089-7550; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.068 Times cited 11 Open Access
Notes Approved Most recent IF: 2.068; 2014 IF: 2.183
Call Number UA @ lucian @ c:irua:116948 Serial 458
Permanent link to this record
 
 
Author Bogaerts, A.; Bultinck, E.; Kolev, I.; Schwaederlé, L.; van Aeken, K.; Buyle, G.; Depla, D.
Title Computer modelling of magnetron discharges Type A1 Journal article
Year 2009 Publication Journal of physics: D: applied physics Abbreviated Journal J Phys D Appl Phys
Volume 42 Issue (up) 19 Pages 194018,1-194018,12
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract In this paper, some modelling approaches to describe direct current (dc) magnetron discharges developed in our research groups will be presented, including an analytical model, Monte Carlo simulations for the electrons and for the sputtered atoms, a hybrid Monte Carlo-fluid model and particle-in-cell-Monte Carlo collision simulations. The strengths and limitations of the various modelling approaches will be explained, and some characteristic simulation results will be illustrated. Furthermore, some other simulation methods related to the magnetron device will be briefly explained, more specifically for calculating the magnetic field distribution inside the discharge, and for describing the (reactive) sputtering.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000269993100020 Publication Date 2009-09-19
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-3727;1361-6463; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.588 Times cited 32 Open Access
Notes Approved Most recent IF: 2.588; 2009 IF: 2.083
Call Number UA @ lucian @ c:irua:78168 Serial 462
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Author Compemolle, S.; Pourtois, G.; Sorée, B.; Magnus, W.; Chibotaru, L.F.; Ceulemans, A.
Title Conductance of a copper-nanotube bundle interface: impact of interface geometry and wave-function interference Type A1 Journal article
Year 2008 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 77 Issue (up) 19 Pages 193406,1-4
Keywords A1 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000256971600032 Publication Date 2008-05-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 8 Open Access
Notes Approved Most recent IF: 3.836; 2008 IF: 3.322
Call Number UA @ lucian @ c:irua:70215 Serial 479
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Author Castelano, L.K.; Hai, G.-Q.; Partoens, B.; Peeters, F.M.
Title Control of the persistent currents in two interacting quantum rings through the Coulomb interaction and interring tunneling Type A1 Journal article
Year 2008 Publication Physical review : B : solid state Abbreviated Journal Phys Rev B
Volume 78 Issue (up) 19 Pages 195315,1-195315,4
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The persistent current in two vertically coupled quantum rings containing few electrons is studied. We find that the Coulomb interaction between the rings in the absence of tunneling affects the persistent current in each ring and the ground-state configurations. Quantum tunneling between the rings alters significantly the ground state and the persistent current in the system.
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000262607800074 Publication Date 2008-11-19
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 28 Open Access
Notes Approved Most recent IF: 3.836; 2008 IF: 3.322
Call Number UA @ lucian @ c:irua:76020 Serial 500
Permanent link to this record
 
 
Author Abakumov, A.M.; King, G.; Laurinavichute, V.K.; Rozova, M.G.; Woodward, P.M.; Antipov, E.V.
Title The crystal structure of \alpha-K3AIF6: elpasolites and double perovskites with broken corner-sharing connectivity of the octahedral framework Type A1 Journal article
Year 2009 Publication Inorganic chemistry Abbreviated Journal Inorg Chem
Volume 48 Issue (up) 19 Pages 9336-9344
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The crystal structure of α-K3AlF6 was solved and refined from a combination of powder X-ray and neutron diffraction data (a = 18.8385(3)Å, c = 33.9644(6)Å, S.G. I41/a, Z = 80, RP(X-ray) = 0.037, RP(neutron) = 0.053). The crystal structure is of the A2BB′X6 elpasolite type with the a = b ≈ ae√5, c = 4ae superstructure (ae, parameter of the elpasolite subcell) and rock-salt-type ordering of the K and Al cations over the B and B′ positions, respectively. The remarkable feature of α-K3AlF6 is a rotation of 2/5 of the AlF6 octahedra by π/4 around one of the crystal axes of the elpasolite subcell, coinciding with the 4-fold symmetry axes of the AlF6 octahedra. The rotation of the AlF6 octahedra replaces the corner-sharing between the K and Al polyhedra by edge-sharing, resulting in an increase of coordination numbers of the K cations at the B positions up to 7 and 8. Due to significant deformations of the K polyhedra, the corner-sharing connectivity of the octahedral elpasolite framework is broken and the rotations of the AlF6 octahedra do not have a cooperative character. Elpasolites and double perovskites with similar structural organization are discussed. The difference in ionic radii of the B and B′ cations as well as the tolerance factor are proposed to be the parameters governing the formation of elpasolites and double perovskites with broken corner-sharing connectivity of the octahedral framework.
Address
Corporate Author Thesis
Publisher Place of Publication Easton, Pa Editor
Language Wos 000270091000039 Publication Date 2009-09-03
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0020-1669;1520-510X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.857 Times cited 20 Open Access
Notes Approved Most recent IF: 4.857; 2009 IF: 4.657
Call Number UA @ lucian @ c:irua:79733 Serial 568
Permanent link to this record
 
 
Author Berdiyorov, G.R.; Milošević, M.V.; Peeters, F.M.
Title Dynamics of kinematic vortices in a mesoscopic superconducting loop Type A1 Journal article
Year 2010 Publication Physica: C : superconductivity Abbreviated Journal Physica C
Volume 470 Issue (up) 19 Pages 946-948
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Using the time-dependent GinzburgLandau formalism, we study the dynamic properties of a submicron superconducting loop in applied current and in presence of a perpendicular magnetic field. The resistive state of the sample is caused by the motion of kinematic vortexantivortex pairs. Vortices and antivortices move in opposite directions to each other, perpendicularly to the applied drive, and the periodic creation and annihilation of such pairs results in periodic oscillations of the voltage across the sample. The dynamics of these kinematic pairs is strongly influenced by the applied magnetic field, which for high fields leads to the flow of just vortices. Kinematic vortices can be temporarily pinned inside the loop with observable trace in the voltage vs. time characteristics.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000282454400061 Publication Date 2010-03-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0921-4534; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.404 Times cited 9 Open Access
Notes ; ; Approved Most recent IF: 1.404; 2010 IF: 1.415
Call Number UA @ lucian @ c:irua:85039 Serial 777
Permanent link to this record
 
 
Author Badalyan, S.M.; Peeters, F.M.
Title Effect of nonhomogenous dielectric background on the plasmon modes in graphene double-layer structures at finite temperatures Type A1 Journal article
Year 2012 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 85 Issue (up) 19 Pages 195444-195444,6
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We have calculated the plasmon modes in graphene double layer structures at finite temperatures, taking into account the inhomogeneity of the dielectric background of the system. The effective dielectric function is obtained from the solution of the Poisson equation of a three-layer dielectric medium with graphene sheets located at the interfaces, separating the different materials. Due to the momentum dispersion of the effective dielectric function, the intra- and interlayer bare Coulomb interactions in the graphene double layer system acquires an additional momentum dependence-an effect that is of the order of the interlayer interaction itself. We show that the energies of the in-phase and out-of-phase plasmon modes are determined largely by different values of the spatially dependent effective dielectric function. The effect of the dielectric inhomogeneity increases with temperature, and even at high temperatures the energy shift induced by the dielectric inhomogeneity and temperature itself remains larger than the broadening of the plasmon energy dispersions due to the Landau damping. The obtained new features of the plasmon dispersions can be observed in frictional drag measurements and in inelastic light scattering and electron energy-loss spectroscopies.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000304394800011 Publication Date 2012-05-23
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 67 Open Access
Notes ; We thank G. Vignale for useful discussions and acknowledge support from the Flemisch Science Foundation (FWO-Fl) and the Belgian Science Policy (BELSPO). ; Approved Most recent IF: 3.836; 2012 IF: 3.767
Call Number UA @ lucian @ c:irua:98941 Serial 826
Permanent link to this record
 
 
Author Avetisyan, A.A.; Partoens, B.; Peeters, F.M.
Title Electric-field control of the band gap and Fermi energy in graphene multilayers by top and back gates Type A1 Journal article
Year 2009 Publication Physical review : B : solid state Abbreviated Journal Phys Rev B
Volume 80 Issue (up) 19 Pages 195401,1-195401,11
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract It is known that a perpendicular electric field applied to multilayers of graphene modifies the electronic structure near the K point and may induce an energy gap in the electronic spectrum which is tunable by the gate voltage. Here we consider a system of graphene multilayers in the presence of a positively charged top and a negatively charged back gate to control independently the density of electrons on the graphene layers and the Fermi energy of the system. The band structure of three- and four-layer graphene systems in the presence of the top and back gates is obtained using a tight-binding approach. A self-consistent Hartree approximation is used to calculate the induced charges on the different graphene layers. We predict that for opposite and equal charges on the top and bottom layers an energy gap is opened at the Fermi level. For an even number of layers this gap is larger than in the case of an odd number of graphene layers. We find that the circular asymmetry of the spectrum, which is a consequence of the trigonal warping, changes the size of the induced electronic gap, even when the total density of the induced electrons on the graphene layers is low.
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000272311000087 Publication Date 2009-11-10
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 106 Open Access
Notes Approved Most recent IF: 3.836; 2009 IF: 3.475
Call Number UA @ lucian @ c:irua:80315 Serial 883
Permanent link to this record
 
 
Author Zhang, S.H.; Xu, W.; Peeters, F.M.; Badalyan, S.M.
Title Electron energy and temperature relaxation in graphene on a piezoelectric substrate Type A1 Journal article
Year 2014 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 89 Issue (up) 19 Pages 195409
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We study the energy and temperature relaxation of electrons in graphene on a piezoelectric substrate. Scattering from the combined potential of extrinsic piezoelectric surface acoustical (PA) phonons of the substrate and intrinsic deformation acoustical phonons of graphene is considered for a (non) degenerate gas of Dirac fermions. It is shown that in the regime of low energies or temperatures the PA phonons dominate the relaxation and change qualitatively its character. This prediction is relevant for quantum metrology and electronic applications using graphene devices and suggests an experimental setup for probing electron-phonon coupling in graphene.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000336000400008 Publication Date 2014-05-09
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 18 Open Access
Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem program of the Flemish government. ; Approved Most recent IF: 3.836; 2014 IF: 3.736
Call Number UA @ lucian @ c:irua:117675 Serial 928
Permanent link to this record
 
 
Author de Mondt, R.; Adriaensen, L.; Vangaever, F.; Lenaerts, J.; van Vaeck, L.; Gijbels, R.
Title Empirical evaluation of metal deposition for the analysis of organic compounds with static secondary ion mass spectrometry (S-SIMS) Type A1 Journal article
Year 2006 Publication Applied surface science Abbreviated Journal Appl Surf Sci
Volume 252 Issue (up) 19 Pages 6652-6655
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000240609900063 Publication Date 2006-05-05
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0169-4332; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.387 Times cited 9 Open Access
Notes Approved Most recent IF: 3.387; 2006 IF: 1.436
Call Number UA @ lucian @ c:irua:58812 Serial 1034
Permanent link to this record
 
 
Author Titantah, J.T.; Lamoen, D.
Title Energy-loss near-edge structure changes with bond length in carbon systems Type A1 Journal article
Year 2005 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 72 Issue (up) 19 Pages 193104,1-4
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000233603700004 Publication Date 2005-11-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 24 Open Access
Notes Approved Most recent IF: 3.836; 2005 IF: 3.185
Call Number UA @ lucian @ c:irua:56050 Serial 1041
Permanent link to this record
 
 
Author Leenaerts, O.; Peelaers, H.; Hernández-Nieves, A.D.; Partoens, B.; Peeters, F.M.
Title First-principles investigation of graphene fluoride and graphane Type A1 Journal article
Year 2010 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 82 Issue (up) 19 Pages 195436,1-195436,6
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Different stoichiometric configurations of graphane and graphene fluoride are investigated within density-functional theory. Their structural and electronic properties are compared, and we indicate the similarities and differences among the various configurations. Large differences between graphane and graphene fluoride are found that are caused by the presence of charges on the fluorine atoms. A configuration that is more stable than the boat configuration is predicted for graphene fluoride. We also perform GW calculations for the electronic band gap of both graphene derivatives. These band gaps and also the calculated Youngs moduli are at variance with available experimental data. This might indicate that the experimental samples contain a large number of defects or are only partially covered with H or F.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000284399200004 Publication Date 2010-11-18
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 367 Open Access
Notes ; This work was supported by the Flemish Science Foundation (FWO-V1), the NOI-BOF of the University of Antwerp, the Belgian Science Policy (IAP), and the collaborative project FWO-MINCyT (Grant No. FW/08/01). A.D.H. also acknowledges support from ANPCyT (Grant No. PICT 2008-2236). ; Approved Most recent IF: 3.836; 2010 IF: 3.774
Call Number UA @ lucian @ c:irua:86916 Serial 1212
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Author van Daele, B.; Van Tendeloo, G.; Jacobs, K.; Moerman, I.; Leys, M.
Title Formation of metallic In in InGaN/GaN multiquantum wells Type A1 Journal article
Year 2004 Publication Applied physics letters Abbreviated Journal Appl Phys Lett
Volume 85 Issue (up) 19 Pages 4379-4381
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 000224962800038 Publication Date 2004-11-08
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 32 Open Access
Notes IAP V-1; IWT-Project No.980319 Approved Most recent IF: 3.411; 2004 IF: 4.308
Call Number UA @ lucian @ c:irua:54804 Serial 1261
Permanent link to this record
 
 
Author Silhanek, A.V.; Kramer, R.G.B.; van de Vondel, J.; Moshchalkov, V.V.; Milošević, M.V.; Berdiyorov, G.R.; Peeters, F.M.; Luccas, R.F.; Puig, T.
Title Freezing vortex rivers Type A1 Journal article
Year 2010 Publication Physica: C : superconductivity Abbreviated Journal Physica C
Volume 470 Issue (up) 19 Pages 726-729
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We demonstrate experimentally and theoretically that the dissipative state at high current densities of superconducting samples with a periodic array of holes consist of flux rivers resulting from a short range attractive interaction between vortices. This dynamically induced vortexvortex attraction results from the migration of quasiparticles out of the vortex core. We have directly visualized the formation of vortex chains by scanning Hall microscopy after freezing the dynamic state by a field cooling procedure at constant bias current. Similar experiments carried out in a sample without holes show no hint of flux river formation.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000282454400004 Publication Date 2010-03-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0921-4534; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.404 Times cited 4 Open Access
Notes ; ; Approved Most recent IF: 1.404; 2010 IF: 1.415
Call Number UA @ lucian @ c:irua:85032 Serial 1278
Permanent link to this record
 
 
Author Leenaerts, O.; Partoens, B.; Peeters, F.M.
Title Graphene: a perfect nanoballoon Type A1 Journal article
Year 2008 Publication Applied physics letters Abbreviated Journal Appl Phys Lett
Volume 93 Issue (up) 19 Pages 193107,1-193107,3
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We have performed a first-principles density functional theory investigation of the penetration of helium atoms through a graphene monolayer with defects. The relaxation of the graphene layer caused by the incoming helium atoms does not have a strong influence on the height of the energy barriers for penetration. For defective graphene layers, the penetration barriers decrease exponentially with the size of the defects but they are still sufficiently high that very large defects are needed to make the graphene sheet permeable for small atoms and molecules. This makes graphene a very promising material for the construction of nanocages and nanomembranes.
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000260944100090 Publication Date 2008-11-12
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 295 Open Access
Notes This work was supported by the Flemish Science Foundation (FWO-Vl), the NOI-BOF of the University of Antwerp, and the Belgian Science Policy (IAP). Approved Most recent IF: 3.411; 2008 IF: 3.726
Call Number UA @ lucian @ c:irua:73196 Serial 1368
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Author Milovanovic, S.P.; Masir, M.R.; Peeters, F.M.
Title Graphene hall bar with an asymmetric pn-junction Type A1 Journal article
Year 2013 Publication Journal of applied physics Abbreviated Journal J Appl Phys
Volume 113 Issue (up) 19 Pages 193701-193708
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We investigated the magnetic field dependence of the Hall and the bend resistances in the ballistic regime for a single layer graphene Hall bar structure containing a pn-junction. When both regions are n-type the Hall resistance dominates and Hall type of plateaus are formed. These plateaus occur as a consequence of the restriction on the angle imposed by Snell's law allowing only electrons with a certain initial angles to transmit though the potential step. The size of the plateau and its position is determined by the position of the potential interface as well as the value of the applied potential. When the second region is p-type, the bend resistance dominates, which is asymmetric in field due to the presence of snake states. Changing the position of the pn-interface in the Hall bar strongly affects these states and therefore the bend resistance is also changed. Changing the applied potential, we observe that the bend resistance exhibits a peak around the charge-neutrality point (CNP), which is independent of the position of the pn-interface, while the Hall resistance shows a sign reversal when the CNP is crossed, which is in very good agreement with a recent experiment [J. R. Williams and C. M. Marcus, Phys. Rev. Lett. 107, 046602 (2011)].
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000319295200022 Publication Date 2013-05-16
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 7 Open Access
Notes This work was supported by the Flemish Science Foundation (FWO-Vl), the European Science Foundation (ESF) under the EUROCORES Program EuroGRAPHENE within the project CONGRAN, and the Methusalem Foundation of the Flemish government. We acknowledge fruitful discussions with M. Barbier. Approved Most recent IF: 2.068; 2013 IF: 2.185
Call Number UA @ lucian @ c:irua:108999 Serial 1371
Permanent link to this record
 
 
Author Shakouri, K.; Badalyan, S.M.; Peeters, F.M.
Title Helical liquid of snake states Type A1 Journal article
Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 88 Issue (up) 19 Pages 195404-195405
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We derive an exact solution to the problem of spin snake states induced in a nonhomogeneous magnetic field by a combined action of the Rashba spin-orbit and Zeeman fields. The electron spin behavior as a function of the cyclotron orbit center position and an external homogeneous magnetic field was obtained. It is shown that in an antisymmetric magnetic field the electron spin in the snake states has only an in-plane projection, perpendicular to the magnetic interface, which vanishes at large positive momenta. Applying an external homogeneous magnetic field adds a finite out-of-plane spin component and simultaneously gaps out the spectral branches, which results in regular beating patterns of the spin current components.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000326820200007 Publication Date 2013-11-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 3 Open Access
Notes ; This work was supported by the Methusalem program of the Flemish government and the Flemish Science Foundation (FWO-Vl). ; Approved Most recent IF: 3.836; 2013 IF: 3.664
Call Number UA @ lucian @ c:irua:112712 Serial 1416
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Author Cloetens, P.; Ludwig, W.; Baruchel, J.; van Dyck, D.; van Landuyt, J.; Guigay, J.P.; Schlenker, M.
Title Holotomography: quantitative phase tomography with micrometer resolution using hard synchrotron radiation X-rays Type A1 Journal article
Year 1999 Publication Applied physics letters Abbreviated Journal Appl Phys Lett
Volume 75 Issue (up) 19 Pages 2912-2914
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
Abstract
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000083483900014 Publication Date 2002-07-26
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 481 Open Access
Notes Approved Most recent IF: 3.411; 1999 IF: 4.184
Call Number UA @ lucian @ c:irua:29643 Serial 1484
Permanent link to this record
 
 
Author Li, Z.; Covaci, L.; Berciu, M.; Baillie, D.; Marsiglio, F.
Title Impact of spin-orbit coupling on the Holstein polaron Type A1 Journal article
Year 2011 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 83 Issue (up) 19 Pages 195104-195104,9
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We utilize an exact variational numerical procedure to calculate the ground state properties of a polaron in the presence of a Rashba-like spin-orbit interaction. Our results corroborate previous work performed with the momentum average approximation and with weak-coupling perturbation theory. We find that spin-orbit coupling increases the effective mass in the regime with weak electron-phonon coupling, and decreases the effective mass in the regimes of intermediate and strong electron-phonon coupling. Analytical strong-coupling perturbation theory results confirm our numerical results in the small-polaron regime. A large amount of spin-orbit coupling can lead to a significant lowering of the polaron effective mass.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000290162500001 Publication Date 2011-05-03
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 9 Open Access
Notes ; This work was supported in part by the Natural Sciences and Engineering Research Council of Canada (NSERC), by ICORE (Alberta), by Alberta Ingenuity, by the Flemish Science Foundation (FWO-Vl), and by the Canadian Institute for Advanced Research (CIfAR). ; Approved Most recent IF: 3.836; 2011 IF: 3.691
Call Number UA @ lucian @ c:irua:89718 Serial 1561
Permanent link to this record
 
 
Author Beheshtian, J.; Sadeghi, A.; Neek-Amal, M.; Michel, K.H.; Peeters, F.M.
Title Induced polarization and electronic properties of carbon-doped boron nitride nanoribbons Type A1 Journal article
Year 2012 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 86 Issue (up) 19 Pages 195433-195438
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The electronic properties of boron nitride nanoribbons (BNNRs) doped with a line of carbon atoms are investigated using density functional calculations. By replacing a line of alternating B and N atoms with carbons, three different configurations are possible depending on the type of the atoms which bond to the carbons. We found very different electronic properties for these configurations: (i) the NCB arrangement is strongly polarized with a large dipole moment having an unexpected direction, (ii) the BCB and NCN arrangements are nonpolar with zero dipole moment, (iii) the doping by a carbon line reduces the band gap regardless of the local arrangement of the borons and the nitrogens around the carbon line, and (iv) the polarization and energy gap of the carbon-doped BNNRs can be tuned by an electric field applied parallel to the carbon line. Similar effects were found when either an armchair or zigzag line of carbon was introduced.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000311694200006 Publication Date 2012-11-29
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 41 Open Access
Notes ; We would like to thank J. M. Pereira and S. Goedecker for helpful discussions. This work was supported by the Flemish Science Foundation (FWO-Vl), the ESF-EuroGRAPHENE project CONGRAN. M. N.-A is supported by EU-Marie Curie IIF postdoc Fellowship/299522. ; Approved Most recent IF: 3.836; 2012 IF: 3.767
Call Number UA @ lucian @ c:irua:105136 Serial 1603
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Author Burriel, M.; Casa-Cabanas, M.; Zapata, J.; Tan, H.; Verbeeck, J.; Solis, C.; Roqueta, J.; Skinner, S.J.; Kilner, J.A.; Van Tendeloo, G.; Santiso, J.
Title Influence of the microstructure on the high-temperature transport properties of GdBaCo2O5.5+\delta epitaxial films Type A1 Journal article
Year 2010 Publication Chemistry of materials Abbreviated Journal Chem Mater
Volume 22 Issue (up) 19 Pages 5512-5520
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Epitaxial thin films of GdBaCo2O5.5+δ (GBCO) grown by pulsed laser deposition have been studied as a function of deposition conditions. The variation in film structure, domain orientation, and microstructure upon deviations in the cation composition have been correlated with the charge transport properties of the films. The epitaxial GBCO films mainly consist of single- and double-perovskite regions that are oriented in different directions depending on the deposition temperature. Additionally, cobalt depletion induces the formation of a high density of stacking defects in the films, consisting of supplementary GdO planes along the c-axis of the material. The presence of such defects progressively reduces the electrical conductivity. The films closer to the stoichiometric composition have shown p-type electronic conductivity at high pO2 with values as high as 800 S/cm at 330 °C in 1 atm O2, and with a pO2 power dependence with an exponent as low as 1/25, consistent with the behavior reported for bulk GBCO. These values place GBCO thin films as a very promising material to be applied as cathodes in intermediate temperature solid oxide fuel cells.
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor
Language Wos 000282471000013 Publication Date 2010-09-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0897-4756;1520-5002; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 9.466 Times cited 17 Open Access
Notes Fwo; Esteem 026019 Approved Most recent IF: 9.466; 2010 IF: 6.400
Call Number UA @ lucian @ c:irua:85412UA @ admin @ c:irua:85412 Serial 1648
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Author Pereira, J.M.; Peeters, F.M.; Vasilopoulos, P.; Costa Filho, R.N.; Farias, G.A.
Title Landau levels in graphene bilayer quantum dots Type A1 Journal article
Year 2009 Publication Physical review : B : solid state Abbreviated Journal Phys Rev B
Volume 79 Issue (up) 19 Pages 195403,1-195403,5
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We investigate localized electron and hole states in parabolic quantum dots of biased graphene bilayers in the presence of a perpendicular magnetic field. These quantum dots can be created by means of nanostructured gates or by position-dependent doping, which can create a gap in the otherwise gapless dispersion of a graphene bilayer. Numerical results show the energy levels of confined electrons and holes as a function of the dot parameters and the magnetic field. Remarkable crossings of energy levels are found.
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000266501300102 Publication Date 2009-05-05
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 29 Open Access
Notes Approved Most recent IF: 3.836; 2009 IF: 3.475
Call Number UA @ lucian @ c:irua:77401 Serial 1774
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Author Bousige, C.; Rols, S.; Cambedouzou, J.; Verberck, B.; Pekker, S.; Kováts, É.; Durkó, G.; Jalsovsky, I.; Pellegrini, É.; Launois, P.
Title Lattice dynamics of a rotor-stator molecular crystal: Fullerene-cubane C60\centerdot C8H8 Type A1 Journal article
Year 2010 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 82 Issue (up) 19 Pages 195413-195413,10
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The dynamics of fullerene-cubane (C60⋅C8H8) cocrystal is studied combining experimental [x-ray diffuse scattering, quasielastic and inelastic neutron scattering (INS)] and simulation (molecular dynamics) investigations. Neutron scattering gives direct evidence of the free rotation of fullerenes and of the libration of cubanes in the high-temperature phase, validating the rotor-stator description of this molecular system. X-ray diffuse scattering shows that orientational disorder survives the order/disorder transition in the low-temperature phase, although the loss of fullerene isotropic rotational diffusion is featured by the appearance of a 2.2 meV mode in the INS spectra. The coupling between INS and simulations allows identifying a degeneracy lift of the cubane librations in the low temperature phase, which is used as a tool for probing the environment of cubane in this phase and for getting further insights into the phase transition mechanism.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000283923500004 Publication Date 2010-11-08
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 16 Open Access
Notes ; The authors acknowledge P.-A. Albouy and S. Rouziere (LPS, Orsay) for fruitful discussions and for their support during diffuse scattering experiments. Work in Hungary was supported by the Hungarian Research Fund, OTKA under Grant No. K72954. The CS group at the ILL is acknowledged for their support during the MD simulations. ; Approved Most recent IF: 3.836; 2010 IF: 3.774
Call Number UA @ lucian @ c:irua:85801 Serial 1802
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Author Turner, S.; Lu, Y.-G.; Janssens, S.D.; da Pieve, F.; Lamoen, D.; Verbeeck, J.; Haenen, K.; Wagner, P.; Van Tendeloo, G.
Title Local boron environment in B-doped nanocrystalline diamond films Type A1 Journal article
Year 2012 Publication Nanoscale Abbreviated Journal Nanoscale
Volume 4 Issue (up) 19 Pages 5960-5964
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Thin films of heavily B-doped nanocrystalline diamond (B:NCD) have been investigated by a combination of high resolution annular dark field scanning transmission electron microscopy and spatially resolved electron energy-loss spectroscopy performed on a state-of-the-art aberration corrected instrument to determine the B concentration, distribution and the local B environment. Concentrations of [similar]1 to 3 at.% of boron are found to be embedded within individual grains. Even though most NCD grains are surrounded by a thin amorphous shell, elemental mapping of the B and C signal shows no preferential embedding of B in these amorphous shells or in grain boundaries between the NCD grains, in contrast with earlier work on more macroscopic superconducting polycrystalline B-doped diamond films. Detailed inspection of the fine structure of the boron K-edge and comparison with density functional theory calculated fine structure energy-loss near-edge structure signatures confirms that the B atoms present in the diamond grains are substitutional atoms embedded tetrahedrally into the diamond lattice.
Address
Corporate Author Thesis
Publisher Place of Publication Cambridge Editor
Language Wos 000308705900026 Publication Date 2012-08-09
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2040-3364;2040-3372; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 7.367 Times cited 39 Open Access
Notes FWO G056810N; GOA XANES meets ELNES; 246791 COUNTATOMS; Hercules; 262348 ESMI; Methusalem Nano Approved Most recent IF: 7.367; 2012 IF: 6.233
Call Number UA @ lucian @ c:irua:101227UA @ admin @ c:irua:101227 Serial 1825
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Author Müller, A.; Milošević, M.V.; Dale, S.E.C.; Engbarth, M.A.; Bending, S.J.
Title Magnetization measurements and Ginzburg-Landau simulations of micron-size \beta-tin samples : evidence for an unusual critical behavior of mesoscopic type-I superconductors Type A1 Journal article
Year 2012 Publication Physical review letters Abbreviated Journal Phys Rev Lett
Volume 109 Issue (up) 19 Pages 197003
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We describe investigations of the largely unexplored field of mesoscopic type-I superconductors. Micromagnetometry and 3D Ginzburg-Landau simulations of our single crystal β-tin samples in this regime reveal size- and temperature-dependent supercritical fields whose behavior is radically different from the bulk critical field HcB. We find that complete suppression of the intermediate state in medium-size samples can result in a surprising reduction of the critical field significantly below HcB. We also reveal an evolution of the superconducting-to-normal phase transition from the expected irreversible first order at low temperatures through the previously unobserved reversible first-order to a second-order transition close to Tc, where the critical field can be many times larger than HcB. Finally, we have identified striking correlations between the mesoscopic Hc3 for nucleation of surface superconductivity and the thermodynamic Hc near Tc. All these observations are entirely unexpected in the conventional type-I picture.
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000310853100017 Publication Date 2012-11-09
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 21 Open Access
Notes ; This work was supported by the EPSRC-UK under Grant No. EP/E039944/1, and the Flemish Science Foundation (FWO). ; Approved Most recent IF: 8.462; 2012 IF: 7.943
Call Number UA @ lucian @ c:irua:102401 Serial 1893
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Author Michel, K.H.; Copley, J.R.D.; Neumann, D.A.
Title Microscopic theory of orientational disorder and the orientational phase transition in solid C60 Type A1 Journal article
Year 1992 Publication Physical review letters Abbreviated Journal Phys Rev Lett
Volume 68 Issue (up) 19 Pages 2929-2932
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We have developed a microscopic theory which describes the orientational dynamics of C60 molecules in the face-centered-cubic phase of C60 fullerite. The molecular interaction potential and the crystal-field potential are formulated in terms of symmetry-adapted rotator functions. The phase transition to the Pa3BAR structure is driven by an active multipolar mode of T2g symmetry belonging to the l = 10 manifold. The Birman criterion is satisfied. The transition is found to be of first order.
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos A1992HT64800019 Publication Date 2002-07-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0031-9007; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 7.512 Times cited 94 Open Access
Notes Approved
Call Number UA @ lucian @ c:irua:95492 Serial 2032
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Author Vandenberghe, W.G.; Verhulst, A.S.; Kao, K.-H.; De Meyer, K.; Sorée, B.; Magnus, W.; Groeseneken, G.
Title A model determining optimal doping concentration and material's band gap of tunnel field-effect transistors Type A1 Journal article
Year 2012 Publication Applied physics letters Abbreviated Journal Appl Phys Lett
Volume 100 Issue (up) 19 Pages 193509-193509,4
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We develop a model for the tunnel field-effect transistor (TFET) based on the Wentzel-Kramer-Brillouin approximation which improves over existing semi-classical models employing generation rates. We hereby introduce the concept of a characteristic tunneling length in direct semiconductors. Based on the model, we show that a limited density of states results in an optimal doping concentration as well as an optimal material's band gap to obtain the highest TFET on-current at a given supply voltage. The observed optimal-doping trend is confirmed by 2-dimensional quantum-mechanical simulations for silicon and germanium. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4714544]
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000304108000098 Publication Date 2012-05-12
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 25 Open Access
Notes ; William Vandenberghe gratefully acknowledges the support of a Ph.D. stipend from the Institute for the Promotion of Innovation through Science and Technology in Flanders (IWT-Vlaanderen). This work was supported by IMEC's Industrial Affiliation Program. ; Approved Most recent IF: 3.411; 2012 IF: 3.794
Call Number UA @ lucian @ c:irua:98948 Serial 2105
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Author Van Duppen, B.; Sena, S.H.R.; Peeters, F.M.
Title Multiband tunneling in trilayer graphene Type A1 Journal article
Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 87 Issue (up) 19 Pages 195439-10
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The electronic tunneling properties of the two stable forms of trilayer graphene (TLG), rhombohedral ABC and Bernal ABA, are examined for p-n and p-n-p junctions as realized by using a single gate (SG) or a double gate (DG). For the rhombohedral form, due to the chirality of the electrons, the Klein paradox is found at normal incidence for SG devices, while at high-energy interband scattering between additional propagation modes can occur. The electrons in Bernal ABA TLG can have a monolayer- or bilayer-like character when incident on a SG device. Using a DG, however, both propagation modes will couple by breaking the mirror symmetry of the system, which induces intermode scattering and resonances that depend on the width of the DG p-n-p junction. For ABC TLG the DG opens up a band gap which suppresses Klein tunneling. The DG induces also an unexpected asymmetry in the tunneling angle for single-valley electrons.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000319281700004 Publication Date 2013-05-23
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 13 Open Access
Notes ; This work was supported by the European Science Foundation (ESF) under the EUROCORES Program EuroGRAPHENE within the project CONGRAN, the Flemish Science Foundation (FWO-VI) by an aspirant research grant to B. Van Duppen and the Methusalem Programme of the Flemish Government. ; Approved Most recent IF: 3.836; 2013 IF: 3.664
Call Number UA @ lucian @ c:irua:108998 Serial 2216
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Author Khalilov, U.; Pourtois, G.; Huygh, S.; van Duin, A.C.T.; Neyts, E.C.; Bogaerts, A.
Title New mechanism for oxidation of native silicon oxide Type A1 Journal article
Year 2013 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
Volume 117 Issue (up) 19 Pages 9819-9825
Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Continued miniaturization of metal-oxide-semiconductor field-effect transistors (MOSFETs) requires an ever-decreasing thickness of the gate oxide. The structure of ultrathin silicon oxide films, however, critically depends on the oxidation mechanism. Using reactive atomistic simulations, we here demonstrate how the oxidation mechanism in hyperthermal oxidation of such structures may be controlled by the oxidation temperature and the oxidant energy. Specifically, we study the interaction of hyperthermal oxygen with energies of 15 eV with thin SiOx (x ≤ 2) films with a native oxide thickness of about 10 Å. We analyze the oxygen penetration depth probability and compare with results of the hyperthermal oxidation of a bare Si(100){2 × 1} (c-Si) surface. The temperature-dependent oxidation mechanisms are discussed in detail. Our results demonstrate that, at low (i.e., room) temperature, the penetrated oxygen mostly resides in the oxide region rather than at the SiOx|c-Si interface. However, at higher temperatures, starting at around 700 K, oxygen atoms are found to penetrate and to diffuse through the oxide layer followed by reaction at the c-Si boundary. We demonstrate that hyperthermal oxidation resembles thermal oxidation, which can be described by the DealGrove model at high temperatures. Furthermore, defect creation mechanisms that occur during the oxidation process are also analyzed. This study is useful for the fabrication of ultrathin silicon oxide gate oxides for metal-oxide-semiconductor devices as it links parameters that can be straightforwardly controlled in experiment (oxygen temperature, velocity) with the silicon oxide structure.
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor
Language Wos 000319649100032 Publication Date 2013-04-23
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1932-7447;1932-7455; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.536 Times cited 24 Open Access
Notes Approved Most recent IF: 4.536; 2013 IF: 4.835
Call Number UA @ lucian @ c:irua:107989 Serial 2321
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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 (up) 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.
Address
Corporate Author Thesis
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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