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Author Rosenauer, A.; Schowalter, M.; Glas, F.; Lamoen, D.
Title (down) First-principles calculations of 002 structure factors for electron scattering in strained InxGa1-xAs Type A1 Journal article
Year 2005 Publication Physical Review B Abbreviated Journal Phys Rev B
Volume 72 Issue 8 Pages 1-10
Keywords A1 Journal article; Electron Microscopy for Materials Science (EMAT);
Abstract This work provides values of electron scattering 002 structure factors for InxGa1-xAs as a function of the In concentration x=0 to 1. These results allow accurate compositional analysis of pseudomorphically grown InxGa1-xAs/GaAs layers by transmission electron microscopy methods relying on the chemical sensitivity of the (002) beam. The calculations go beyond the limits of the isolated atom approximation, because they take into account charge redistribution effects between atomic sites in the crystal, strain, and static atomic displacements. The computations were performed by the full potential linearized augmented plane-wave method using a generalized gradient approximation for the exchange and correlation part of the potential. The calculations of strained InxGa1-xAs correspond to the strain state in specimens with large, small, and intermediate thickness in the electron beam direction. Additionally, the effect of static atomic displacements is taken into account. All results are listed in a parameterized form. The calculated 002 structure factor vanishes at an In concentration of 16.4%. This value is in a good agreement with previously reported experimental measurements. Hence, our results are a significant improvement with respect to the isolated atom approximation which is conventionally applied in transmission electron microscopy simulations, and which predicts a value of 22.5%.
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000231564600106 Publication Date 2005-08-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 42 Open Access
Notes Approved Most recent IF: 3.836; 2005 IF: 3.185
Call Number UA @ lucian @ c:irua:54918 Serial 1201
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Author Rosenauer, A.; Schowalter, M.; Glas, F.; Lamoen, D.
Title (down) First-principles calculations of 002 structure factors for electron scattering in strained InxGa1-xAs Type A1 Journal article
Year 2005 Publication Abbreviated Journal
Volume 107 Issue Pages 151-154
Keywords A1 Journal article; Electron Microscopy for Materials Science (EMAT);
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Berlin Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0930-8989 ISBN Additional Links UA library record; WoS full record;
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:72916 Serial 1202
Permanent link to this record
 
 
Author Bercx, M.; Sarmadian, N.; Saniz, R.; Partoens, B.; Lamoen, D.
Title (down) First-principles analysis of the spectroscopic limited maximum efficiency of photovoltaic absorber layers for CuAu-like chalcogenides and silicon Type A1 Journal article
Year 2016 Publication Physical chemistry, chemical physics Abbreviated Journal Phys Chem Chem Phys
Volume 18 Issue 18 Pages 20542-20549
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
Abstract Chalcopyrite semiconductors are of considerable interest for application as absorber layers in thin-film photovoltaic cells. When growing films of these compounds, however, they are often found to contain CuAu-like domains, a metastable phase of chalcopyrite. It has been reported that for CuInS2, the presence of the CuAu-like phase improves the short circuit current of the chalcopyrite-based photovoltaic cell. We investigate the thermodynamic stability of both phases for a selected list of I-III-VI2 materials using a first-principles density functional theory approach. For the CuIn-VI2 compounds, the difference in formation energy between the chalcopyrite and CuAu-like phase is found to be close to 2 meV per atom, indicating a high likelihood of the presence of CuAu-like domains. Next, we calculate the spectroscopic limited maximum efficiency (SLME) of the CuAu-like phase and compare the results with those of the corresponding chalcopyrite phase. We identify several candidates with a high efficiency, such as CuAu-like CuInS2, for which we obtain an SLME of 29% at a thickness of 500 nm. We observe that the SLME can have values above the Shockley-Queisser (SQ) limit, and show that this can occur because the SQ limit assumes the absorptivity to be a step function, thus overestimating the radiative recombination in the detailed balance approach. This means that it is possible to find higher theoretical efficiencies within this framework simply by calculating the J-V characteristic with an absorption spectrum. Finally, we expand our SLME analysis to indirect band gap absorbers by studying silicon, and find that the SLME quickly overestimates the reverse saturation current of indirect band gap materials, drastically lowering their calculated efficiency.
Address EMAT & CMT groups, Department of Physics, University of Antwerp, Campus Groenenborger, Groenenborgerlaan 171, 2020 Antwerp, Belgium. marnik.bercx@uantwerpen.be
Corporate Author Thesis
Publisher Place of Publication Editor
Language English Wos 000381428600058 Publication Date 2016-07-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1463-9076 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.123 Times cited 34 Open Access
Notes We acknowledge financial support of FWO-Vlaanderen through projects G.0150.13N and G.0216.14N and ERA-NET RUS Plus/FWO, Grant G0D6515N. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center) and the HPC infrastructure of the University of Antwerp (CalcUA), both funded by the FWO FWOVlaanderen. Approved Most recent IF: 4.123
Call Number c:irua:135091 Serial 4112
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Author Martin, J.M.L.; François, J.P.; Gijbels, R.
Title (down) First principles computation of thermo-chemical properties beyond the harmonic approximation: 2: application to the amino radical and its isotopomers Type A1 Journal article
Year 1992 Publication The journal of chemical physics Abbreviated Journal J Chem Phys
Volume 97 Issue 5 Pages 3530-3536
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos A1992JL37200072 Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-9606 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.952 Times cited 22 Open Access
Notes Approved no
Call Number UA @ lucian @ c:irua:4197 Serial 1207
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Author Martin, J.M.L.; François, J.P.; Gijbels, R.
Title (down) First principles computation of thermo-chemical properties beyond the harmonic approximation: 1: method and application to the water molecule and its isotopomers Type A1 Journal article
Year 1992 Publication The journal of chemical physics Abbreviated Journal J Chem Phys
Volume 96 Issue 10 Pages 7633-7645
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos A1992HU55700047 Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-9606 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.952 Times cited 59 Open Access
Notes Approved no
Call Number UA @ lucian @ c:irua:4195 Serial 1206
Permanent link to this record
 
 
Author Klimin, S.N.; Tempère, J.; Misko, V.R.; Wouters, M.
Title (down) Finite-temperature Wigner solid and other phases of ripplonic polarons on a helium film Type A1 Journal article
Year 2016 Publication European physical journal : B : condensed matter and complex systems Abbreviated Journal Eur Phys J B
Volume 89 Issue 89 Pages 172
Keywords A1 Journal article; Theory of quantum systems and complex systems; Condensed Matter Theory (CMT)
Abstract Electrons on liquid helium can form different phases depending on density, and temperature. Also the electron-ripplon coupling strength influences the phase diagram, through the formation of so-called “ripplonic polarons”, that change how electrons are localized, and that shifts the transition between the Wigner solid and the liquid phase. We use an all-coupling, finite-temperature variational method to study the formation of a ripplopolaron Wigner solid on a liquid helium film for different regimes of the electron-ripplon coupling strength. In addition to the three known phases of the ripplopolaron system (electron Wigner solid, polaron Wigner solid, and electron fluid), we define and identify a fourth distinct phase, the ripplopolaron liquid. We analyse the transitions between these four phases and calculate the corresponding phase diagrams. This reveals a reentrant melting of the electron solid as a function of temperature. The calculated regions of existence of the Wigner solid are in agreement with recent experimental data.
Address
Corporate Author Thesis
Publisher Place of Publication Berlin Editor
Language Wos 000391225200001 Publication Date 2016-07-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1434-6028 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.461 Times cited 1 Open Access
Notes ; We thank A.S. Mishchenko and D.G. Rees for valuable discussions. This research has been supported by the Flemish Research Foundation (FWO-Vl), Project Nos. G.0115.12N, G.0119.12N, G.0122.12N, G.0429.15N, by the Scientific Research Network of the Research Foundation-Flanders, WO.033.09N, and by the Research Fund of the University of Antwerp. ; Approved Most recent IF: 1.461
Call Number UA @ lucian @ c:irua:140351 Serial 4454
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Author Klimin, S.N.; Tempere, J.; Verhelst, N.; Milošević, M.V.
Title (down) Finite-temperature vortices in a rotating Fermi gas Type A1 Journal article
Year 2016 Publication Physical review A Abbreviated Journal Phys Rev A
Volume 94 Issue 94 Pages 023620
Keywords A1 Journal article; Theory of quantum systems and complex systems; Condensed Matter Theory (CMT)
Abstract Vortices and vortex arrays have been used as a hallmark of superfluidity in rotated, ultracold Fermi gases. These superfluids can be described in terms of an effective field theory for a macroscopic wave function representing the field of condensed pairs, analogous to the Ginzburg-Landau theory for superconductors. Here we establish how rotation modifies this effective field theory, by rederiving it starting from the action of Fermi gas in the rotating frame of reference. The rotation leads to the appearance of an effective vector potential, and the coupling strength of this vector potential to the macroscopic wave function depends on the interaction strength between the fermions, due to a renormalization of the pair effective mass in the effective field theory. The mass renormalization derived here is in agreement with results of functional renormalization-group theory. In the extreme Bose-Einstein condensate regime, the pair effective mass tends to twice the fermion mass, in agreement with the physical picture of a weakly interacting Bose gas of molecular pairs. Then we use our macroscopic-wave-function description to study vortices and the critical rotation frequencies to form them. Equilibrium vortex state diagrams are derived and they are in good agreement with available results of the Bogoliubov-de Gennes theory and with experimental data.
Address
Corporate Author Thesis
Publisher American Physical Society Place of Publication New York, N.Y. Editor
Language Wos 000381473100001 Publication Date 2016-08-16
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2469-9934 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.925 Times cited 6 Open Access
Notes ; We are grateful to G. C. Strinati and H. Warringa for valuable discussions. This research was supported by the Flemish Research Foundation Projects No. G.0115.12N, No. G.0119.12N, No. G.0122.12N, and No. G.0429.15N, by the Scientific Research Network of the Flemish Research Foundation, Grant No. WO.033.09N, and by the Research Fund of the University of Antwerp. ; Approved Most recent IF: 2.925
Call Number UA @ lucian @ c:irua:135686 Serial 4304
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Author Berdiyorov, G.R.; Elmurodov, A.K.; Peeters, F.M.; Vodolazov, D.Y.
Title (down) Finite-size effect on the resistive state in a mesoscopic type-II superconducting stripe Type A1 Journal article
Year 2009 Publication Physical review : B : solid state Abbreviated Journal Phys Rev B
Volume 79 Issue 17 Pages 174506,1-174506,6
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Within the time-dependent Ginzburg-Landau (TDGL) theory we studied the creation of phase-slip lines and the interplay with a vortex lattice in a finite-length superconducting thin stripe with finite-size normal metal leads. In zero magnetic field and with increasing transport current phase-slip lines appear across the sample leading to distinct jumps in the current-voltage characteristics. When a magnetic field is applied, the moving vortex lattice becomes rearranged by the external current and fast and slow moving vortex channels are formed. Curved vortex channels are observed near the normal contacts. We found the remarkable result that at small applied magnetic field the normal-state transition current is increased as compared to the one at zero magnetic field. This effect is more pronounced for larger values of the parameter in the TDGL formalism. This unusual field-induced increase in the critical current is a consequence of the nonuniform distribution of the current in the sample.
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000266501100096 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 36 Open Access
Notes Approved Most recent IF: 3.836; 2009 IF: 3.475
Call Number UA @ lucian @ c:irua:77398 Serial 1196
Permanent link to this record
 
 
Author Freire, J.A.K.; Matulis, A.; Peeters, F.M.; Freire, V.N.; Farias, G.A.
Title (down) Fine structure of excitons in a quantum well in the presence of a non-homogeneous magnetic field Type A1 Journal article
Year 2000 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 62 Issue Pages 7316-7324
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000089413500083 Publication Date 2002-07-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0163-1829;1095-3795; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 14 Open Access
Notes Approved Most recent IF: 3.836; 2000 IF: NA
Call Number UA @ lucian @ c:irua:34353 Serial 1195
Permanent link to this record
 
 
Author Van Tendeloo, G.; Richard, O.; Schuddinck, W.; Hervieu, M.
Title (down) Fine structure of CMR perovskites by HREM and CBEM Type A1 Journal article
Year 1998 Publication Electron microscopy: vol. 1 Abbreviated Journal
Volume Issue Pages 383-384
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000077017600178 Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 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:25674 Serial 1194
Permanent link to this record
 
 
Author Schweigert, V.A.; Peeters, F.M.
Title (down) Filed-cooled vortex states in mesoscopic superconducting samples Type A1 Journal article
Year 2000 Publication Physica: C : superconductivity Abbreviated Journal Physica C
Volume 180 Issue Pages 426-431
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000087245200080 Publication Date 2002-07-26
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 17 Open Access
Notes Approved Most recent IF: 1.404; 2000 IF: 1.489
Call Number UA @ lucian @ c:irua:28523 Serial 1193
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Author Van Grieken, R.; Stranger, M.
Title (down) Fijn stof en pollutiegassen in de binnenlucht Type A2 Journal article
Year 2006 Publication ARGUS milieumagazine Abbreviated Journal
Volume 4 Issue 2 Pages 18
Keywords A2 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1379-4957 ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:58863 Serial 7967
Permanent link to this record
 
 
Author Vandenberghe, W.G.; Verhulst, A.S.; Sorée, B.; Magnus, W.; Groeseneken, G.; Smets, Q.; Heyns, M.; Fischetti, M.V.
Title (down) Figure of merit for and identification of sub-60 mV/decade devices Type A1 Journal article
Year 2013 Publication Applied physics letters Abbreviated Journal Appl Phys Lett
Volume 102 Issue 1 Pages 013510-13514
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract A figure of merit I60 is proposed for sub-60 mV/decade devices as the highest current where the input characteristics exhibit a transition from sub- to super-60 mV/decade behavior. For sub-60 mV/decade devices to be competitive with metal-oxide-semiconductor field-effect devices, I60 has to be in the 1-10 μA/μm range. The best experimental tunnel field-effect transistors (TFETs) in the literature only have an I60 of 6×10-3 μA/μm but using theoretical simulations, we show that an I60 of up to 10 μA/μm should be attainable. It is proven that the Schottky barrier FET (SBFET) has a 60 mV/decade subthreshold swing limit while combining a SBFET and a TFET does improve performance.
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000313646500132 Publication Date 2013-01-12
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 64 Open Access
Notes ; William G. Vandenberghe gratefully acknowledges the support of a Ph.D. stipend from IWT-Vlaanderen. The authors thank Danielle Leonelli, Lars-Ake Ragnarsson, and Krishna Bhuwalka for useful discussions. This work was supported by imec's Industrial Affiliation Program. ; Approved Most recent IF: 3.411; 2013 IF: 3.515
Call Number UA @ lucian @ c:irua:109262 Serial 1192
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Author Jiang, J.; Milošević, M.V.; Wang, Y.-L.; Xiao, Z.-L.; Peeters, F.M.; Chen, Q.-H.
Title (down) Field-free superconducting diode in a magnetically nanostructured superconductor Type A1 Journal article
Year 2022 Publication Physical review applied Abbreviated Journal Phys Rev Appl
Volume 18 Issue 3 Pages 034064-34069
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract A strong superconducting diode effect (SDE) is revealed in a thin superconducting film periodically nanostructured with magnetic dots. The SDE is caused by the current-activated dissipation mitigated by vortex-antivortex pairs (VAPs), which periodically nucleate under the dots, move and annihilate in the superconductor-eventually driving the system to the high-resistive state. Inversing the polarity of the applied current destimulates the nucleation of VAPs, the system remains superconducting up to far larger currents, leading to the pronounced diodic response. Our dissipative Ginzburg-Landau simulations detail the involved processes, and provide reliable geometric and parametric ranges for the experimental realiza-tion of such a nonvolatile superconducting diode, which operates in the absence of any applied magnetic field while being fluxonic by design.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000870234200001 Publication Date 2022-09-23
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2331-7019 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.6 Times cited 9 Open Access OpenAccess
Notes Approved Most recent IF: 4.6
Call Number UA @ admin @ c:irua:191539 Serial 7307
Permanent link to this record
 
 
Author Milošević, M.V.; Peeters, F.M.
Title (down) Field-enhanced critical parameters in magnetically nanostructured superconductors Type A1 Journal article
Year 2005 Publication Europhysics letters Abbreviated Journal Epl-Europhys Lett
Volume 70 Issue 5 Pages 670-676
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Paris Editor
Language Wos 000229819000016 Publication Date 2005-04-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0295-5075;1286-4854; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.957 Times cited 40 Open Access
Notes Approved Most recent IF: 1.957; 2005 IF: 2.237
Call Number UA @ lucian @ c:irua:57247 Serial 1191
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Author Esfahani, D.N.; Covaci, L.; Peeters, F.M.
Title (down) Field effect on surface states in a doped Mott-insulator thin film Type A1 Journal article
Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 87 Issue 3 Pages 035131-35136
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Surface effects of a doped thin film made of a strongly correlated material are investigated both in the absence and presence of a perpendicular electric field. We use an inhomogeneous Gutzwiller approximation for a single-band Hubbard model in order to describe correlation effects. For low doping, the bulk value of the quasiparticle weight is recovered exponentially deep into the slab, but with increasing doping, additional Friedel oscillations appear near the surface. We show that the inverse correlation length has a power-law dependence on the doping level. In the presence of an electrical field, considerable changes in the quasiparticle weight can be realized throughout the system. We observe a large difference (as large as five orders of magnitude) in the quasiparticle weight near the opposite sides of the slab. This effect can be significant in switching devices that use the surface states for transport. DOI: 10.1103/PhysRevB.87.035131
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000313941000001 Publication Date 2013-01-29
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 4 Open Access
Notes ; This work was supported by the Flemish Science Foundation (FWO-VI). ; Approved Most recent IF: 3.836; 2013 IF: 3.664
Call Number UA @ lucian @ c:irua:110086 Serial 1190
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Author Martens, K.; Jeong, J.W.; Aetukuri, N.; Rettner, C.; Shukla, N.; Freeman, E.; Esfahani, D.N.; Peeters, F.M.; Topuria, T.; Rice, P.M.; Volodin, A.; Douhard, B.; Vandervorst, W.; Samant, M.G.; Datta, S.; Parkin, S.S.P.
Title (down) Field Effect and Strongly Localized Carriers in the Metal-Insulator Transition Material VO(2) Type A1 Journal article
Year 2015 Publication Physical review letters Abbreviated Journal Phys Rev Lett
Volume 115 Issue 115 Pages 196401
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The intrinsic field effect, the change in surface conductance with an applied transverse electric field, of prototypal strongly correlated VO(2) has remained elusive. Here we report its measurement enabled by epitaxial VO(2) and atomic layer deposited high-kappa dielectrics. Oxygen migration, joule heating, and the linked field-induced phase transition are precluded. The field effect can be understood in terms of field-induced carriers with densities up to approximately 5x10(13) cm(-2) which are trongly localized, as shown by their low, thermally activated mobility ( approximately 1x10(-3) cm(2)/V s at 300 K). These carriers show behavior consistent with that of Holstein polarons and strongly impact the (opto)electronics of VO(2).
Address IBM Research-Almaden, San Jose, California 95120, USA
Corporate Author Thesis
Publisher Place of Publication Editor
Language English Wos 000364024800013 Publication Date 2015-11-05
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 8.462 Times cited 28 Open Access
Notes ; The authors acknowledge B. Hughes, K. Roche, L. Gao, C. Lada, J. Van Houdt, M. Heyns, J. P. Locquet, J. Delmotte, L. Krupp, L. Clark, and FWO (K. M.). S. D. and N. S. acknowledge LEAST (Low Energy Systems Technology), one of six SRC STARnet Centers, sponsored by MARCO/DARPA, for financial support. ; Approved Most recent IF: 8.462; 2015 IF: 7.512
Call Number c:irua:129547 Serial 4051
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Author Verreydt, G.; Annable, M.D.; Kaskassian, S.; van Keer, I.; Bronders, J.; Diels, L.; Vanderauwera, P.
Title (down) Field demonstration and evaluation of the passive flux meter on a CAH groundwater plume Type A1 Journal article
Year 2013 Publication Environmental Science and Pollution Research Abbreviated Journal
Volume 20 Issue 7 Pages 4621-4634
Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL); Biochemical Wastewater Valorization & Engineering (BioWaVE)
Abstract This study comprises the first application of the Passive Flux Meter (PFM) for the measurement of chlorinated aliphatic hydrocarbon (CAH) mass fluxes and Darcy water fluxes in groundwater at a European field site. The PFM was originally developed and applied to measurements near source zones. The focus of the PFM is extended from near source to plume zones. For this purpose, 48 PFMs of 1.4 m length were constructed and installed in eight different monitoring wells in the source and plume zone of a CAH-contaminated field site located in France. The PFMs were retrieved, sampled, and analyzed after 3 to 11 weeks of exposure time, depending on the expected contaminant flux. PFM evaluation criteria include analytical, technical, and practical aspects as well as conditions and applicability. PFM flux data were compared with so-called traditional soil and groundwater concentration data obtained using active sampling methods. The PFMs deliver reasonable results for source as well as plume zones. The limiting factor in the PFM applicability is the exposure time together with the groundwater flux. Measured groundwater velocities at the field site range from 2 to 41 cm/day. Measured contaminant flux data raise up to 13 g/m(2)/day for perchloroethylene in the plume zone. Calculated PFM flux averaged concentration data and traditional concentration data were of similar magnitude for most wells. However, both datasets need to be compared with reservation because of the different sampling nature and time. Two important issues are the PFM tracer loss during installation/extraction and the deviation of the groundwater flow field when passing the monitoring well and PFM. The demonstration of the PFM at a CAH-contaminated field site in Europe confirmed the efficiency of the flux measurement technique for source as well as plume zones. The PFM can be applied without concerns in monitoring wells with European standards. The acquired flux data are of great value for the purpose of site characterization and mass discharge modeling, and can be used in combination with traditional soil and groundwater sampling methods.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000321126700030 Publication Date 2013-01-02
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0944-1344; 1614-7499 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:109817 Serial 7965
Permanent link to this record
 
 
Author Cao, S.; Nishida, M.; Schryvers, D.
Title (down) FIB/SEM applied to quantitative 3D analysis of precipitates in Ni-Ti Type A1 Journal article
Year 2011 Publication Diffusion and defect data : solid state data : part B : solid state phenomena Abbreviated Journal
Volume 172/174 Issue Pages 1284-1289
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Ni4Ti3 precipitates with a heterogeneous distribution growing in a polycrystalline Ni50.8Ti49.2 alloy have been investigated in a Dual-Beam FIB/SEM system. The volume ratio, mean volume, central plane diameter, thickness, aspect ratio and sphericity of the precipitates in the grain interior as well as near to the grain boundary were measured or calculated. The morphology of the precipitates was classified according to the Zingg scheme. The multistage martensitic transformation occurring in these kinds of samples is interpreted in view of the data of this heterogeneous microstructure of matrix and precipitates.
Address
Corporate Author Thesis
Publisher Place of Publication Vaduz Editor
Language Wos 000303359700199 Publication Date 2011-07-04
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1662-9779; 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:90152 Serial 1188
Permanent link to this record
 
 
Author Bleiner, D.; Macri, M.; Gasser, P.; Sautter, V.; Maras, A.
Title (down) FIB, TEM and LA-ICPMS investigations on melt inclusions in Martian meteorites – Analytical capabilities and geochemical insights Type A1 Journal article
Year 2006 Publication Talanta : the international journal of pure and applied analytical chemistry Abbreviated Journal Talanta
Volume Issue Pages
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract In order to obtain full information coverage on melt inclusions in Martian meteorites (subgroup nakhlites) complementary micro-analytical techniques were used, i.e. focused ion beam, transmission electron microscopy and laser ablation. Using focused ion beam several lamellae for transmission electron microscopy were prepared and secondary electron images of cross-sections could be acquired. Laser ablation-inductively coupled plasma mass spectrometry analyses were performed on selected inclusions to obtain mass-oriented bulk composition of inclusions at depth. The differences in composition between melt inclusions in olivine and augite crystals would suggest a xenocrystic origin for olivine. Furthermore, electron diffraction patterns clearly indicated that the SiO2-rich phase in inclusions from augite in meteorites from Northwest Africa site is re-crystallized, whereas it is still vitreous in the inclusions from Nakhla sampling site. Therefore, different post-entrapment evolutions were active for the two nakhlite meteorite sets, the Nakhla and the NWA817 set. Melt inclusions in Nakhla olivine presented alteration veins, which were presumably produced before their landing on Earth. If this is the case, this would indicate a alteration stage already on Mars with all the consequence in terms of climate history. Melt inclusions in Nakhla augite resulted unaffected by any alteration or modification following the entrapment, and therefore represent the best candidate to indicate the pristine magma composition. (c) 2005 Elsevier B.V. All rights reserved.
Address
Corporate Author Thesis
Publisher Pergamon Place of Publication Oxford Editor
Language Wos 000235509900028 Publication Date 2005-09-24
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0039-9140; 1873-3573 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.162 Times cited 9 Open Access
Notes Approved Most recent IF: 4.162; 2006 IF: 2.810
Call Number UA @ lucian @ c:irua:95092 Serial 4519
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Author Croitoru, M.D.; Buzdin, A.I.
Title (down) FFLO-wave-vector lock-in effect in quasi-1D superconductors Type A1 Journal article
Year 2015 Publication Journal of superconductivity and novel magnetism Abbreviated Journal J Supercond Nov Magn
Volume 28 Issue 28 Pages 1305-1308
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We study the phase transition into the Fulde-Ferrell-Larkin-Ovchinnikov state in high magnetic field in quasi-one dimensional superconductors within the quasi-classical formalism, taking into account the interchain Josephson coupling and the paramagnetic spin splitting. We show that anomalies in the field-direction dependence of the upper critical field when the magnetic field length equals to the FFLO period, previously described in [29], are characterized by the lock-in effect of the FFLO modulation wave vector, which is governed by the magnetic length.
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000352085700019 Publication Date 2014-12-13
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1557-1939;1557-1947; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.18 Times cited 4 Open Access
Notes ; We thank D. Jerome for useful discussions. We acknowledge the support by the French ANR program “ElectroVortex” and European NanoSC COST Action MP1201. M.D.C. acknowledges the support by the BELSPO Return to Belgium Grant. ; Approved Most recent IF: 1.18; 2015 IF: 0.909
Call Number c:irua:125540 Serial 1187
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Author Lak, A.; Cassani, M.; Mai, B.T.; Winckelmans, N.; Cabrera, D.; Sadrollahi, E.; Marras, S.; Remmer, H.; Fiorito, S.; Cremades-Jimeno, L.; Litterst, F.J.; Ludwig, F.; Manna, L.; Teran, F.J.; Bals, S.; Pellegrino, T.
Title (down) Fe2+Deficiencies, FeO Subdomains, and Structural Defects Favor Magnetic Hyperthermia Performance of Iron Oxide Nanocubes into Intracellular Environment Type A1 Journal article
Year 2018 Publication Nano letters Abbreviated Journal Nano Lett
Volume 18 Issue 18 Pages 6856-6866
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Herein, by studying a stepwise phase transformation of 23 nm FeO-Fe3O4 core-shell nanocubes into Fe3O4, we identify a composition at which the magnetic heating performance of the nanocubes is not affected by the medium viscosity and aggregation. Structural and magnetic characterizations reveal the transformation of the FeO-Fe3O4 nanocubes from having stoichiometric phase compositions into Fe2+ deficient Fe3O4 phases. The resultant nanocubes contain tiny compressed and randomly distributed FeO sub-domains as well as structural defects. This phase transformation causes a tenfold increase in the magnetic losses of the nanocubes, which remains exceptionally insensitive to the medium viscosity as well as aggregation unlike similarly sized single-phase magnetite nanocubes. We observe that the dominant relaxation mechanism switches from Néel in fresh core-shell nanocubes to Brownian in partially oxidized nanocubes and once again to Néel in completely treated nanocubes. The Fe2+ deficiencies and structural defects appear to reduce the magnetic energy barrier and anisotropy field, thereby driving the overall relaxation into Néel process. The magnetic losses of the particles remain unchanged through a progressive internalization/association to ovarian cancer cells. Moreover, the particles induce a significant cell death after being exposed to hyperthermia treatment. Here, we present the largest heating performance that has been reported to date for 23 nm iron oxide nanoparticles under cellular and intracellular conditions. Our findings clearly demonstrate the positive impacts of the Fe2+ deficiencies and structural defects in the Fe3O4 structure on the heating performance under cellular and intracellular conditions.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000451102100028 Publication Date 2018-11-14
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1530-6984 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 12.712 Times cited 51 Open Access OpenAccess
Notes This work is partially funded by the European Research Council (starting grant ICARO, Contract No. 678109 and COLOURATOM-335078), Spanish Ministry of Economy and Competitiveness (MAT2016-81955-REDT, SEV-2016-0686, MAT2017-85617-R) Comunidad de Madrid (NANOFRONTMAG-CM, S2013/MIT-2850), the European COST Action TD1402 (RADIOMAG), and Ramon y Cajal subprogram (RYC-2011-09617). Financial support from the Deutsche Forschungsgemeinschaft, DFG Priority Program 1681 (LU800/4-3). S.B. and N.W. acknowledge financial support from the Research Foundation Flanders (FWO, Belgium) through Project funding G038116N. A.L. acknowledges the Alexander von Humboldt Foundation for the Postdoctoral Research Fellow funding. Mr Emilio J. Artés from the Advanced Instrumentation Unit (iMdea Nanociencia) is acknowledged for his technical assistance. L. M acknowledges the predoctoral fellowship funded from Comunidad de Madrid (PEJD-2017-PRE/IND-4189). Authors thank Tiziano Catelani and Doriana Debellis for the preparation of TEM cell samples (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); ecas_Sara Approved Most recent IF: 12.712
Call Number EMAT @ emat @c:irua:155439UA @ admin @ c:irua:155439 Serial 5072
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Author Paul, M.; Kufer, D.; Müller, A.; Brück, S.; Goering, E.; Kamp, M.; Verbeeck, J.; Tian, H.; Van Tendeloo, G.; Ingle, N.J.C.; Sing, M.; Claessen, R.
Title (down) Fe3O4/ZnO : a high-quality magnetic oxide-semiconductor heterostructure by reactive deposition Type A1 Journal article
Year 2011 Publication Applied physics letters Abbreviated Journal Appl Phys Lett
Volume 98 Issue 1 Pages 012512,1-012512,3
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract We demonstrate the epitaxial growth of Fe<sub>3</sub>O<sub>4</sub> films on ZnO by a simple reactive deposition procedure using molecular oxygen as an oxidizing agent. X-ray photoelectron spectroscopy results evidence that the iron-oxide surface is nearly stoichiometric magnetite. X-ray diffraction results indicate monocrystalline epitaxy and almost complete structural relaxation. Scanning transmission electron micrographs reveal that the microstructure consists of domains which are separated by antiphase boundaries or twin boundaries. The magnetite films show rather slow magnetization behavior in comparison with bulk crystals probably due to reduced magnetization at antiphase boundaries in small applied fields.
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Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000286009800055 Publication Date 2011-01-07
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 27 Open Access
Notes The authors acknowledge financial support by DFG through Forschergruppe FOR 1162. Approved Most recent IF: 3.411; 2011 IF: 3.844
Call Number UA @ lucian @ c:irua:88653 Serial 3532
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Author Barreca, D.; Carraro, G.; Gasparotto, A.; Maccato, C.; Warwick, M.E.A.; Kaunisto, K.; Sada, C.; Turner, S.; Gönüllü, Y.; Ruoko, T.-P.; Borgese, L.; Bontempi, E.; Van Tendeloo, G.; Lemmetyinen, H.; Mathur, S.
Title (down) Fe2O3-TiO2Nano-heterostructure Photoanodes for Highly Efficient Solar Water Oxidation Type A1 Journal article
Year 2015 Publication Advanced Materials Interfaces Abbreviated Journal Adv Mater Interfaces
Volume 2 Issue 2 Pages 1500313
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Harnessing solar energy for the production of clean hydrogen by photo­electrochemical water splitting represents a very attractive, but challenging approach for sustainable energy generation. In this regard, the fabrication of Fe2O3–TiO2 photoanodes is reported, showing attractive performances [≈2.0 mA cm−2 at 1.23 V vs. the reversible hydrogen electrode in 1 M NaOH] under simulated one-sun illumination. This goal, corresponding to a tenfold photoactivity enhancement with respect to bare Fe2O3, is achieved by atomic layer deposition of TiO2 over hematite (α-Fe2O3) nanostructures fabricated by plasma enhanced-chemical vapor deposition and final annealing at 650 °C. The adopted approach enables an intimate Fe2O3–TiO2 coupling, resulting in an electronic interplay at the Fe2O3/TiO2 interface. The reasons for the photocurrent enhancement determined by TiO2 overlayers with increasing thickness are unraveled by a detailed chemico-physical investigation, as well as by the study of photo­generated charge carrier dynamics. Transient absorption spectroscopy shows that the increased photoelectrochemical response of heterostructured photoanodes compared to bare hematite is due to an enhanced separation of photogenerated charge carriers and more favorable hole dynamics for water oxidation. The stable responses obtained even in simulated seawater provides a feasible route in view of the eventual large-scale generation of renewable energy.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000368914700011 Publication Date 2015-09-03
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2196-7350; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.279 Times cited 56 Open Access
Notes The authors kindly acknowledge the fi nancial support under the FP7 project “SOLAROGENIX” (NMP4-SL-2012-310333), as well as Padova University ex-60% 2012–2014 projects, Grant No. CPDR132937/13 (SOLLEONE), and Regione Lombardia-INSTM ATLANTE projects. S.T. acknowledges the FWO Flanders for a postdoctoral scholarship. Approved Most recent IF: 4.279; 2015 IF: NA
Call Number c:irua:129201 Serial 3957
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Author Barreca, D.; Carraro, G.; Warwick, M.E.A.; Kaunisto, K.; Gasparotto, A.; Gombac, V.; Sada, C.; Turner, S.; Van Tendeloo, G.; Maccato, C.; Fornasiero, P.;
Title (down) Fe2O3-TiO2 nanosystems by a hybrid PE-CVD/ALD approach : controllable synthesis, growth mechanism, and photocatalytic properties Type A1 Journal article
Year 2015 Publication CrystEngComm Abbreviated Journal Crystengcomm
Volume 17 Issue 17 Pages 6219-6226
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Supported Fe2O3–TiO2 nanocomposites are fabricated by an original vapor phase synthetic strategy, consisting of the initial growth of Fe2O3 nanosystems on fluorine-doped tin oxide substrates by plasma enhanced-chemical vapor deposition, followed by atomic layer deposition of TiO2 overlayers with variable thickness, and final thermal treatment in air. A thorough characterization of the target systems is carried out by X-ray diffraction, atomic force microscopy, field emission-scanning electron microscopy, energy dispersive X-ray spectroscopy, transmission electron microscopy, and X-ray photoelectron spectroscopy. High purity nanomaterials characterized by the co-presence of Fe2O3 (hematite) and TiO2 (anatase), with an intimate Fe2O3–TiO2 contact, are successfully obtained. In addition, photocatalytic tests demonstrate that, whereas both single-phase oxides do not show appreciable activity, the composite systems are able to degrade methyl orange aqueous solutions under simulated solar light, and even visible light, with an efficiency directly dependent on TiO2 overlayer thickness. This finding opens attractive perspectives for eventual applications in wastewater treatment.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000358915300018 Publication Date 2015-07-23
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1466-8033; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.474 Times cited 25 Open Access
Notes The research leading to these results has received funding from the FP7 project “SOLAROGENIX” IJNMP4-SL-2012- 310333), as well as from Padova University ex-60% 2012–2015 projects, grant no. CPDR132937/13 (SOLLEONE), and Regione Lombardia-INSTM ATLANTE projects. S. T. acknowledges the FWO Flanders for a post-doctoral scholarship. Thanks are also due to Prof. S. Mathur and Dr. Y. Gönüllü (Department of Chemistry, Cologne University, Germany) for their precious help and assistance in ALD depositions, and to Prof. E. Bontempi (Chemistry for Technologies Laboratory, Brescia University, Italy) for XRD analyses. Approved Most recent IF: 3.474; 2015 IF: 4.034
Call Number c:irua:127237 Serial 3531
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Author Anisimovas, E.; Peeters, F.M.
Title (down) Few-particle states in coupled electron-hole quantum dots Type P1 Proceeding
Year 2003 Publication Functions II Abbreviated Journal
Volume Issue Pages 330-337
Keywords P1 Proceeding; Condensed Matter Theory (CMT)
Abstract We apply the exact diagonalization technique to calculate the ground and excited states of a bipolar artificial molecule composed of two vertically coupled quantum dots containing different types of carriers electrons and holes in equilibrium. In this system, the magnetic field tunes the relative role of intra-dot Coulomb interaction while the inter-dot separation sets the strength of inter-dot correlations. We find an intricate pattern of the switching of the ground-state angular momentum with increasing magnetic field and a rearrangement of approximate single-particle levels as a function of the inter-dot coupling strength.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000229502400029 Publication Date 2007-11-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 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:103838 Serial 1186
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Author Szafran, B.; Peeters, F.M.
Title (down) Few-electron eigenstates of concentric double quantum rings Type A1 Journal article
Year 2005 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 72 Issue Pages 155316,1-9
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000232934400085 Publication Date 2005-10-20
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 70 Open Access
Notes Approved Most recent IF: 3.836; 2005 IF: 3.185
Call Number UA @ lucian @ c:irua:69616 Serial 1185
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Author Yu, Y.; Chen, X.; Liu, X.; Li, J.; Sanyal, B.; Kong, X.; Peeters, F.M.; Li, L.
Title (down) Ferromagnetism with in-plane magnetization, Dirac spin-gapless semiconducting properties, and tunable topological states in two-dimensional rare-earth metal dinitrides Type A1 Journal article
Year 2022 Publication Physical review B Abbreviated Journal Phys Rev B
Volume 105 Issue 2 Pages 024407
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Since the successful synthesis of bulk single crystals MoN2 and ReN2, which have a layered structure, transition-metal dinitrides have attracted considerable attention in recent years. Here, we focus on rare-earth metal (Rem) elements, and propose seven stable Rem dinitride monolayers with a 1T structure, namely, 1T-RemN2. We use first-principles calculations, and find that these monolayers have a ferromagnetic ground state with in-plane magnetization. Without spin-orbit coupling (SOC), the band structures are spin-polarized with Dirac points at the Fermi level. Remarkably, the 1T-LuN2 monolayer exhibits an isotropic magnetocrystalline anisotropy energy in the xy plane with in-plane magnetization, indicating easy tunability of the magnetization direction. When rotating the magnetization vector in the xy plane, we propose a model that accurately describes the variation of the SOC band gap and the two possible topological states (Weyl-like semimetal and Chern insulator states) whose properties are tunable. The Weyl-like semimetal state is a critical point between the two Chern insulator states with opposite sign of the Chern numbers (+/- 1). The nontrivial band gap (up to 60.3 meV) and the Weyl-like semimetal state are promising for applications in spintronic devices.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000742384700001 Publication Date 2022-01-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.7 Times cited 13 Open Access Not_Open_Access: Available from 06.07.2202
Notes Approved Most recent IF: 3.7
Call Number UA @ admin @ c:irua:186514 Serial 6991
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Author Ghosh, S.; Tongay, S.; Hebard, A.F.; Sahin, H.; Peeters, F.M.
Title (down) Ferromagnetism in stacked bilayers of Pd/C60 Type A1 Journal article
Year 2014 Publication Journal of magnetism and magnetic materials Abbreviated Journal J Magn Magn Mater
Volume 349 Issue Pages 128-134
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We provide experimental evidence for the existence of ferromagnetism in bilayers of Pd/C-60 which is supported by theoretical calculations based on density functional theory (DFT). The observed ferromagnetism is surprising as C-60 and Pd films are both non-ferromagnetic in the non-interacting limit. Magnetization (M) versus applied field (H) data acquired at different temperatures (T) show magnetic hysteresis with typical coercive fields (H-c) on the order of 50 Oe. From the temperature-dependent magnetization M(T) we extract a Curie temperature (T-c >= 550 K) using Bloch-like power law extrapolations to high temperatures. Using DFT calculations we investigated all plausible scenarios for the interaction between the C-60 molecules and the Pd slabs, Pd single atoms and Pd clusters. DFT shows that while the C-60 molecules are nonmagnetic, Pd films have a degenerate ground state that subject to a weak perturbation, can become ferromagnetic. Calculations also show that the interaction of C-60 molecules with excess Pd atoms and with sharp edges of a Pd slab is the most likely configuration that render the system ferromagnetic Interestingly, the calculated charge transfer (0.016 e per surface Pd atom, 0.064 e per Pd for intimate contact region) between C-60 and Pd does not appear to play an important role. (C) 2013 Elsevier B.V. All rights reserved.
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Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000326037600022 Publication Date 2013-08-02
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0304-8853; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.63 Times cited 8 Open Access
Notes ; We thank Prof. Amlan Biswas and Daniel Grant for Atomic Force Microscopy measurements. This work is supported by the National Science Foundation (NSF) under Contract Number 1005301 (AFH). The authors also thank S. Ciraci for fruitful discussions. All the computational resources have been provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H. Sahin is also supported by a FWO Pegasus Marie Curie Long Fellowship during the study. ; Approved Most recent IF: 2.63; 2014 IF: 1.970
Call Number UA @ lucian @ c:irua:112214 Serial 1184
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Author Krstajic, P.M.; Ivanov, V.A.; Peeters, F.M.; Fleurov, V.; Kikoin, K.
Title (down) Ferromagnetism in Mn-doped GaAs : the kinematic exchange Type A1 Journal article
Year 2003 Publication Journal of superconductivity T2 – PASPS Conference 2002, JUL, 2002, WURZBURG, GERMANY Abbreviated Journal J Supercond
Volume 16 Issue 1 Pages 111-113
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We developed a microscopic model in order to describe the onset of ferromagnetism (FM) in GaAs:Mn. The proposed kinematic mechanism bears resemblances with the Zener exchange. The calculated Curie temperature for GaAs: Mn is in good agreement with available experimental data of the Curie temperature as a function of the manganese concentration.
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Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000182060400027 Publication Date 2003-06-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0896-1107; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 2 Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:103314 Serial 1183
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