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	Author	Titantah, J.T.; Lamoen, D.; Schowalter, M.; Rosenauer, A.
	Title	Modified atomic scattering amplitudes and size effects on the 002 and 220 electron structure factors of multiple Ga_1-xIn_xAs/GaAs quantum wells			Type	A1 Journal article
	Year	2009	Publication	Journal of applied physics	Abbreviated Journal	J Appl Phys
	Volume	105	Issue	8	Pages	084310,1-084310,8
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	The modified atomic scattering amplitudes (MASAs) of mixed Ga<sub>1-x</sub>In<sub>x</sub>As, GaAs<sub>1-x</sub>N<sub>x</sub>, and InAs<sub>1-x</sub>N<sub>x</sub> are calculated using the density functional theory approach and the results are compared with those of the binary counterparts. The MASAs of N, Ga, As, and In for various scattering vectors in various chemical environments and in the zinc-blende structure are compared with the frequently used Doyle and Turner values. Deviation from the Doyle and Turner results is found for small scattering vectors (s<0.3 Å<sup>-1</sup>) and for these scattering vectors the MASAs are found to be sensitive to the orientation of the scattering vector and on the chemical environment. The chemical environment sensitive MASAs are used within zero pressure classical Metropolis Monte Carlo, finite temperature calculations to investigate the effect of well size on the electron 002 and 220 structure factors (SFs). The implications of the use of the 002 (200) spot for the quantification of nanostructured Ga<sub>1-x</sub>In<sub>x</sub>As systems are examined while the 220 SF across the well is evaluated and is found to be very sensitive to the in-plane static displacements.
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000268064700149	Publication Date	2009-04-23
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0021-8979;	ISBN		Additional Links	UA library record; WoS full record
	Impact Factor	2.068	Times cited		Open Access
	Notes	Fwo G.0425.05; Esteem 026019			Approved	Most recent IF: 2.068; 2009 IF: 2.072
	Call Number	UA @ lucian @ c:irua:78282			Serial	2160
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	Author	Dhong, H.M.; Zhang, J.; Peeters, F.M.; Xu, W.
	Title	Optical conductance and transmission in bilayer graphene			Type	A1 Journal article
	Year	2009	Publication	Journal of applied physics	Abbreviated Journal	J Appl Phys
	Volume	106	Issue	4	Pages	043103,1-043103,6
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We present a theoretical study of the optoelectronic properties of bilayer graphene. The optical conductance and transmission coefficient are calculated using the energy-balance equation derived from a Boltzmann equation for an air/graphene/dielectric-wafer system. For short wavelengths (<0.2 µm), we obtain the universal optical conductance =e2/(2). Interestingly, there exists an optical absorption window in the wavelength range 10100 µm, which is induced by different transition energies required for inter- and intra-band optical absorptions in the presence of the MossBurstein effect. As a result, the position and width of this absorption window depend sensitively on temperature, carrier density, and sample mobility of the system. These results are relevant for applications of recently developed graphene devices in advanced optoelectronics such as the infrared photodetectors.
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000270083800004	Publication Date	2009-08-20
	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	11	Open Access
	Notes				Approved	Most recent IF: 2.068; 2009 IF: 2.072
	Call Number	UA @ lucian @ c:irua:79315			Serial	2472
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	Author	Zhang, Y.; Fischetti, M.V.; Sorée, B.; Magnus, W.; Heyns, M.; Meuris, M.
	Title	Physical modeling of strain-dependent hole mobility in Ge p-channel inversion layers			Type	A1 Journal article
	Year	2009	Publication	Journal of applied physics	Abbreviated Journal	J Appl Phys
	Volume	106	Issue	8	Pages	083704,1-083704,9
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We present comprehensive calculations of the low-field hole mobility in Ge p-channel inversion layers with SiO2 insulator using a six-band k·p band-structure model. The cases of relaxed, biaxially, and uniaxially (both tensily and compressively) strained Ge are studied employing an efficient self-consistent methodmaking use of a nonuniform spatial mesh and of the Broyden second methodto solve the coupled envelope-wave function k·p and Poisson equations. The hole mobility is computed using the KuboGreenwood formalism accounting for nonpolar hole-phonon scattering and scattering with interfacial roughness. Different approximations to handle dielectric screening are also investigated. As our main result, we find a large enhancement (up to a factor of 10 with respect to Si) of the mobility in the case of uniaxial compressive stress similarly to the well-known case of Si. Comparison with experimental data shows overall qualitative agreement but with significant deviations due mainly to the unknown morphology of the rough Ge-insulator interface, to additional scattering with surface optical phonon from the high- insulator, to Coulomb scattering interface traps or oxide chargesignored in our calculationsand to different channel structures employed.
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000271358100050	Publication Date	2009-10-20
	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	29	Open Access
	Notes				Approved	Most recent IF: 2.068; 2009 IF: 2.072
	Call Number	UA @ lucian @ c:irua:80137			Serial	2617
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	Author	Felten, A.; Ghijsen, J.; Pireaux, J.-J.; Drube, W.; Johnson, R.L.; Liang, D.; Hecq, M.; Van Tendeloo, G.; Bittencourt, C.
	Title	Electronic structure of Pd nanoparticles on carbon nanotubes			Type	A1 Journal article
	Year	2009	Publication	Micron	Abbreviated Journal	Micron
	Volume	40	Issue	1	Pages	74-79
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	The effect of the oxygen plasma treatment on the electronic states of multi-wall carbon nanotubes (MWCNTs) is analyzed by X-ray photoemission measurements (XPS) and UPS, both using synchrotron radiation. It is found that the plasma treatment effectively grafts oxygen at the CNT-surface. Thereafter, the interaction between evaporated Pd and pristine or oxygen plasma-treated MWCNTs is investigated. Pd is found to nucleate at defective sites, whether initially present or introduced by oxygen plasma treatment. The plasma treatment induced a uniform dispersion of Pd clusters at the CNT-surface. The absence of additional features in the Pd 3d and C I s core levels spectra testifies that no Pd-C bond is formed. The shift of the Pd 3d core level towards high-binding energy for the smallest clusters is attributed to the Coulomb energy of the charged final state. (C) 2008 Elsevier Ltd. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Oxford	Editor
	Language		Wos	000261420900015	Publication Date	2008-02-21
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0968-4328;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.98	Times cited	44	Open Access
	Notes	Pai 608			Approved	Most recent IF: 1.98; 2009 IF: 1.626
	Call Number	UA @ lucian @ c:irua:94578			Serial	1015
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	Author	Ruelle, B.; Felten, A.; Ghijsen, J.; Drube, W.; Johnson, R.L.; Liang, D.; Erni, R.; Van Tendeloo, G.; Sophie, P.; Dubois, P.; Godfroid, T.; Hecq, M.; Bittencourt, C.;
	Title	Functionalization of MWCNTs with atomic nitrogen			Type	A1 Journal article
	Year	2009	Publication	Micron	Abbreviated Journal	Micron
	Volume	40	Issue	1	Pages	85-88
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	In this study of the changes induced by exposing MWCNTs to a nitrogen plasma, it was found by HRTEM that the atomic nitrogen exposure does not significantly etch the surface of the carbon nanotube (CNT). Nevertheless, the atomic nitrogen generated by a microwave plasma effectively grafts amine, nitrile, amide, and oxime groups onto the CNT surface, as observed by XPS, altering the density of valence electronic states, as seen in UPS. (C) 2008 Elsevier Ltd. All fights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Oxford	Editor
	Language		Wos	000261420900017	Publication Date	2008-01-29
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0968-4328;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.98	Times cited	24	Open Access
	Notes	Pai 6/1; Pa 6/27			Approved	Most recent IF: 1.98; 2009 IF: 1.626
	Call Number	UA @ lucian @ c:irua:103080			Serial	1305
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	Author	Connolly, M.R.; Milošević, M.V.; Bending, S.J.; Clem, J.R.; Tamegai, T.
	Title	Continuum vs. discrete flux behaviour in large mesoscopic Bi₂Sr₂CaCu₂O_8+\delta disks			Type	A1 Journal article
	Year	2009	Publication	Europhysics letters	Abbreviated Journal	Epl-Europhys Lett
	Volume	85	Issue	1	Pages	17008,1-17008,6
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Scanning Hall probe and local Hall magnetometry measurements have been used to investigate flux distributions in large mesoscopic superconducting disks with sizes that lie near the crossover between the bulk and mesoscopic vortex regimes. Results obtained by directly mapping the magnetic induction profiles of the disks at different applied fields can be quite successfully fitted to analytic models which assume a continuous distribution of flux in the sample. At low fields, however, we do observe clear signatures of the underlying discrete vortex structure and can resolve the characteristic mesoscopic compression of vortex clusters in increasing magnetic fields. Even at higher fields, where single-vortex resolution is lost, we are still able to track configurational changes in the vortex patterns, since competing vortex orders impose unmistakable signatures on “local” magnetisation curves as a function of the applied field. Our observations are in excellent agreement with molecular-dynamics numerical simulations which lead us to a natural definition of the lengthscale for the crossover between discrete and continuum behaviours in our system.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Paris	Editor
	Language		Wos	000263692500029	Publication Date	2009-01-20
	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	17	Open Access
	Notes				Approved	Most recent IF: 1.957; 2009 IF: 2.893
	Call Number	UA @ lucian @ c:irua:76306			Serial	495
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	Author	Szafran, B.; Poniedziałek, M.R.; Peeters, F.M.
	Title	Violation of Onsager symmetry for a ballistic channel Coulomb coupled to a quantum ring			Type	A1 Journal article
	Year	2009	Publication	Europhysics letters	Abbreviated Journal	Epl-Europhys Lett
	Volume	87	Issue	4	Pages	47002,1-47002,6
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We investigate a scattering of electron which is injected individually into an empty ballistic channel containing a cavity that is Coulomb coupled to a quantum ring charged with a single electron. We solve the time-dependent Schrödinger equation for the electron pair with an exact account for the electron-electron correlation. Absorption of energy and angular momentum by the quantum ring is not an even function of the external magnetic field. As a consequence we find that the electron backscattering probability is asymmetric in the magnetic field and thus violates Onsager symmetry.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Paris	Editor
	Language		Wos	000270146400017	Publication Date	2009-09-02
	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	4	Open Access
	Notes				Approved	Most recent IF: 1.957; 2009 IF: 2.893
	Call Number	UA @ lucian @ c:irua:79734			Serial	3847
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	Author	Nelissen, K.; Partoens, B.; van den Broeck, C.
	Title	Work and dissipation in 2D clusters			Type	A1 Journal article
	Year	2009	Publication	Europhysics letters	Abbreviated Journal	Epl-Europhys Lett
	Volume	88	Issue	3	Pages	30001-30001,6
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We show by extensive numerical simulations, that far-from-equilibrium experiments on dusty plasmas and on dipole particles in a circular cavity are good candidates for the verification of the Jarzynski equality, the Crooks relation and, to a lesser extent, of the recently obtained microscopic expression for the dissipated work.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Paris	Editor
	Language		Wos	000271961400001	Publication Date	2009-11-05
	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	2	Open Access
	Notes				Approved	Most recent IF: 1.957; 2009 IF: 2.893
	Call Number	UA @ lucian @ c:irua:86925			Serial	3922
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	Author	Van Aert, S.; Verbeeck, J.; Bals, S.; Erni, R.; van Dyck, D.; Van Tendeloo, G.
	Title	Atomic resolution mapping using quantitative high-angle annular dark field scanning transmission electron microscopy			Type	A1 Journal article
	Year	2009	Publication	Microscopy and microanalysis	Abbreviated Journal	Microsc Microanal
	Volume	15	Issue	S:2	Pages	464-465
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Cambridge, Mass.	Editor
	Language		Wos	000208119100230	Publication Date	2009-07-27
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1431-9276;1435-8115;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.891	Times cited	1	Open Access
	Notes				Approved	Most recent IF: 1.891; 2009 IF: 3.035
	Call Number	UA @ lucian @ c:irua:96555UA @ admin @ c:irua:96555			Serial	178
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	Author	Bach, D.; Schneider, R.; Gerthsen, D.; Verbeeck, J.; Sigle, W.
	Title	EELS of niobium and stoichiometric niobium-oxide phases: part 1: plasmon and Near-edges fine structure			Type	A1 Journal article
	Year	2009	Publication	Microscopy and microanalysis	Abbreviated Journal	Microsc Microanal
	Volume	15	Issue	6	Pages	505-523
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	A comprehensive electron energy-loss spectroscopy study of niobium (Nb) and stable Nb-oxide phases (NbO, NbO2, Nb2O5) was carried out. In this work (Part I), the plasmons and energy-loss near-edge structures (ELNES) of all relevant Nb edges (Nb-N2,3, Nb-M4,5, Nb-M2,3, Nb-M1, and Nb-L2,3) up to energy losses of about 2600 eV and the O-K edge are analyzed with respect to achieving characteristic fingerprints of Nb in different formal oxidation states (0 for metallic Nb, +2 for NbO, +4 for NbO2, and +5 for Nb2O5). Chemical shifts of the Nb-N2,3, Nb-M4,5, Nb-M2,3, and Nb-L2,3 edges are extracted from the spectra that amount to about 4 eV as the oxidation state increases from 0 for Nb to +5 for Nb2O5. Four different microscopes, including a 200 keV ZEISS Libra with monochromator, were used. The corresponding wide range of experimental parameters with respect to the primary electron energy, convergence, and collection semi-angles as well as energy resolution allows an assessment of the influence of the experimental setup on the ELNES of the different edges. Finally, the intensity of the Nb-L2,3 white-line edges is correlated with niobium 4d-state occupancy in the different reference materials.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Cambridge, Mass.	Editor
	Language		Wos	000272433200005	Publication Date	2009-10-27
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1431-9276;1435-8115;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.891	Times cited	55	Open Access
	Notes				Approved	Most recent IF: 1.891; 2009 IF: 3.035
	Call Number	UA @ lucian @ c:irua:80320UA @ admin @ c:irua:80320			Serial	790
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	Author	Tian, H.; Schryvers, D.; Shabalovskaya, S.; van Humbeeck, J.
	Title	Microstructure of surface and subsurface layers of a Ni-Ti shape memory microwire			Type	A1 Journal article
	Year	2009	Publication	Microscopy and microanalysis	Abbreviated Journal	Microsc Microanal
	Volume	15	Issue		Pages	62-70
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	The microstructure of a 55 Êm diameter, cold-worked Ni-Ti microwire is investigated by different transmission electron microscopy techniques. The surface consists of a few hundred nanometer thick oxide layer composed of TiO and TiO2 with a small fraction of inhomogeneously distributed Ni. The interior of the wire has a core-shell structure with primarily B2 grains in the 1 Êm thick shell, and heavily twinned B19 martensite in the core. This core-shell structure can be explained by a concentration gradient of the alloying elements resulting in a structure separation due to the strong temperature dependence of the martensitic start temperature. Moreover, in between the B2 part of the metallic core-shell and the oxide layer, a Ni3Ti interfacial layer is detected.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Cambridge, Mass.	Editor
	Language		Wos	000262912700009	Publication Date	2009-01-15
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1431-9276;1435-8115;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.891	Times cited	15	Open Access
	Notes	FWO G.0465.05; Multimat			Approved	Most recent IF: 1.891; 2009 IF: 3.035
	Call Number	UA @ lucian @ c:irua:72319			Serial	2074
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	Author	Lepoittevin, C.; Malo, S.; Van Tendeloo, G.; Hervieu, M.
	Title	Synthesis and structural mechanisms of the 2201-type ferrites and polytypes: Fe₂(Sr_2-xA_x)FeO_6.5-\delta/2 (A = Ba, La, Tl, Pb and Bi)			Type	A1 Journal article
	Year	2009	Publication	Solid state sciences	Abbreviated Journal	Solid State Sci
	Volume	11	Issue	3	Pages	595-607
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	The Fe2(Sr2 − xAx)FeO6.5 − ä/2 systems have been investigated, by doping the iron rich 2201-type parent structure with Ba2+, La3+ and 5d10 post-transition cations. The syntheses have been carried out up to the limit of the 2201-type solid solutions, in order to test the role of the double iron layer Fe2O2.5 − ä/2. The localisation of the charge carriers in these compounds is consistent with their strong antiferro-magnetism. The investigation was then carried out in the transition part of the diagram up to the formation of stable phases. The study of structural mechanisms was carried using high resolution electron microscopy (transmission and scanning transmission), electron diffraction and energy dispersive spectroscopy. Different non-stoichiometry mechanisms are observed, depending on the electronic structure and chemical properties of the doping elements. The specific behavior of the modulated double iron layer is discussed.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000264644800001	Publication Date	2008-12-26
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1293-2558;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.811	Times cited	3	Open Access
	Notes	Esteem 026019			Approved	Most recent IF: 1.811; 2009 IF: 1.675
	Call Number	UA @ lucian @ c:irua:76416			Serial	3437
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	Author	Lamoen, D.; March, N.H.
	Title	Orientational disorder in some molecular solids in relation to the boson peak in glasses			Type	A1 Journal article
	Year	2009	Publication	Physics letters : A	Abbreviated Journal	Phys Lett A
	Volume	373	Issue	7	Pages	799-800
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Orientational disorder in some molecular solids is discussed in relation to the emphasis placed on transverse vibrational modes in glasses as the origin of the observed boson peak in two very recent contributions in Nature Materials. In particular, facts are here presented for (i) CH4, (ii) C60 and (iii) ethanol in their solid phases for (a) specific heat and (b) neutron scattering. The results for ethanol in particular do not fit in with the interpretation of the boson peak in terms of transverse acoustic phonons in disordered systems. Glasses will therefore have to be separated into at least two classes where the physical interpretation of the boson peak is concerned.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000263515500020	Publication Date	2009-01-09
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0375-9601;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.772	Times cited	3	Open Access
	Notes	Bof			Approved	Most recent IF: 1.772; 2009 IF: 2.009
	Call Number	UA @ lucian @ c:irua:72917			Serial	2516
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	Author	Baguer, N.; Georgieva, V.; Calderin, L.; Todorov, I.T.; van Gils, S.; Bogaerts, A.
	Title	Study of the nucleation and growth of TiO₂ and ZnO thin films by means of molecular dynamics simulations			Type	A1 Journal article
	Year	2009	Publication	Journal of crystal growth	Abbreviated Journal	J Cryst Growth
	Volume	311	Issue	16	Pages	4034-4043
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	The nucleation and growth of titanium dioxide (TiO2) and zinc oxide (ZnO) thin films on Fe2O3 (hematite), Al2O3 (á-alumina) and SiO2 (á-quartz) are studied by molecular dynamics simulations. The results show the formation of a strong interface region between the substrate and the film in the six systems studied here. A combination of polycrystalline and amorphous phases are observed in the TiO2 films grown on the three substrates. ZnO deposition on the Fe2O3 and Al2O3 crystals yields a monocrystalline film growth. The ZnO film deposited on the SiO2 crystal exhibits less crystallinity. The simulation results are compared with experimental results available in the literature.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000269580100012	Publication Date	2009-06-24
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0022-0248;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.751	Times cited	23	Open Access
	Notes				Approved	Most recent IF: 1.751; 2009 IF: 1.534
	Call Number	UA @ lucian @ c:irua:77453			Serial	3338
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	Author	Cao, S.; Tirry, W.; van den Broek, W.; Schryvers, D.
	Title	Optimization of a FIB/SEM slice-and-view study of the 3D distribution of Ni₄Ti₃ precipitates in NiTi			Type	A1 Journal article
	Year	2009	Publication	Journal of microscopy	Abbreviated Journal	J Microsc-Oxford
	Volume	233	Issue	1	Pages	61-68
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
	Abstract	The 3D morphology and distribution of lenticular Ni4Ti3 precipitates in the austenitic B2 matrix of a binary Ni51Ti49 alloy has been investigated by a slice-and-view procedure in a dual-beam focused ion beam/scanning electron microscope system. Due to the weak contrast of the precipitates, proper imaging conditions need to be selected first to allow for semi-automated image treatment. Knowledgeable imaging is further needed to ensure that all variants of the precipitates are observed with equal probability, regardless of sample orientation. Finally, a volume ratio of 10.2% for the Ni4Ti3 precipitates could be calculated, summed over all variants, which yields a net composition of Ni50.27Ti49.73 for the matrix, leading to an increase of 125 degrees for the martensitic start temperature. Also, the expected relative orientation of the different variants of the precipitates could be confirmed.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Oxford	Editor
	Language		Wos	000262511900008	Publication Date	2009-01-15
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0022-2720;1365-2818;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.692	Times cited	22	Open Access
	Notes	Multimat Fwo; G0465.05			Approved	Most recent IF: 1.692; 2009 IF: 1.612
	Call Number	UA @ lucian @ c:irua:76026			Serial	2486
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	Author	Brosens, F.; Magnus, W.
	Title	Carrier transport in nanodevices: revisiting the Boltzmann and Wigner distribution functions			Type	A1 Journal article
	Year	2009	Publication	Physica status solidi: B: basic research	Abbreviated Journal	Phys Status Solidi B
	Volume	246	Issue	7	Pages	1656-1661
	Keywords	A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems
	Abstract	In principle, transport of charged carriers in nanometer sized solid-state devices can be fully characterized once the non-equilibrium distribution function describing the carrier ensemble is known. In this light, we have revisited the Boltzmann and the Wigner distribution functions and the framework in which they emerge from the classical respectively quantum mechanical Liouville equation. We have assessed the method of the characteristic curves as a potential workhorse to solve the time dependent Boltzmann equation for carriers propagating through spatially non-uniform systems, such as nanodevices. In order to validate the proposed solution strategy, we numerically solve the Boltzmann equation for a one-dimensional conductor mimicking the basic features of a biased low-dimensional transistor operating in the on-state. Finally, we propose a computational scheme capable of extending the benefits of the above mentioned solution strategy when it comes to solve the Wigner-Liouville equation.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Berlin	Editor
	Language		Wos	000268659100033	Publication Date	2009-04-22
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0370-1972;1521-3951;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.674	Times cited	8	Open Access
	Notes				Approved	Most recent IF: 1.674; 2009 IF: 1.150
	Call Number	UA @ lucian @ c:irua:77953			Serial	284
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	Author	Michel, K.H.; Verberck, B.
	Title	Theoretical phonon dispersions in monolayers and multilayers of hexagonal boron-nitride			Type	A1 Journal article
	Year	2009	Publication	Physica status solidi: B: basic research	Abbreviated Journal	Phys Status Solidi B
	Volume	246	Issue	11/12	Pages	2802-2805
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Starting from an empirical force constant model of valence interactions and calculating by Ewald's method the electrostatic force constants, we derive the dynamical matrix for a monolayer and for multilayer systems of hexagonal boron nitride (h-BN). Solution of the secular problem leads to the corresponding phonon dispersion relations. The interplay between valence forces and Coulomb forces is discussed. A comparison with previous results on graphene and graphene multilayers is made. Our spectra on the h-BN monolayer are rather similar to previous ab initio theory results. Comparison is also made with Raman and infrared experimental results.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Berlin	Editor
	Language		Wos	000272904100091	Publication Date	2009-11-12
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0370-1972;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.674	Times cited	10	Open Access
	Notes				Approved	Most recent IF: 1.674; 2009 IF: 1.150
	Call Number	UA @ lucian @ c:irua:80673			Serial	3609
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	Author	Liu, S.; Wei, M.; Sui, X.; Cheng, X.; Cool, P.; Van Tendeloo, G.
	Title	A scanning electron microscopy study on hollow silica microspheres: defects and influences of the synthesis composition			Type	A1 Journal article
	Year	2009	Publication	Journal of sol-gel science and technology	Abbreviated Journal	J Sol-Gel Sci Techn
	Volume	49	Issue	3	Pages	373-379
	Keywords	A1 Journal article; Laboratory of adsorption and catalysis (LADCA); Electron microscopy for materials research (EMAT)
	Abstract	Defects on hollow silica spheres synthesized in a tetraethylorthosilicate-octylamine-HCl-H2O system were recorded by scanning microscope. Based on the results, influences of synthesis composition on the formation of these defects are discussed. It is evidenced that products prepared with different octylamine-to-tetraethylorthosilicate ratios may have surface depressions, cracks and non-hollow microspheres. However, by changing water and acid additions, these defects could be reduced or eliminated. Generally, samples synthesized with a large octylamine addition commonly exhibit surface depressions. A small octylamine or a large water addition benefits the formation of solid silica microspheres among the product. Acid, although is not indispensable for the formation of hollow spheres, helps to eliminate or reduce depressions on the hollow shells. It is explained that the added acid gives rise to a relative localized fast hydrolysis versus condensation, facilitating an easy mobility of hydrolyzed silica species, and consequently the shell surface is smoothened.
	Address
	Corporate Author				Thesis
	Publisher	Kluwer	Place of Publication	Dordrecht	Editor
	Language		Wos	000263260100015	Publication Date	2008-12-16
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0928-0707;1573-4846;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.575	Times cited	1	Open Access
	Notes				Approved	Most recent IF: 1.575; 2009 IF: 1.393
	Call Number	UA @ lucian @ c:irua:74962			Serial	2941
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	Author	Dominiczak, M.; Ruyter, A.; Limelette, P.; Monot-Laffez, I.; Giovannelli, F.; Rossell, M.D.; Van Tendeloo, G.
	Title	Effects of nanocracks on the magnetic and electrical properties of La_0.8Sr_0.2MnO₃ single crystals			Type	A1 Journal article
	Year	2009	Publication	Solid state communications	Abbreviated Journal	Solid State Commun
	Volume	149	Issue	37/38	Pages	1543-1548
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	An investigation of the physical properties of La0.8Sr0.2MnO3 single crystals grown by the molten zone technique is realized close to the metal-to-insulator transition temperature (TMI). In this paper, we review the effect of the structural defects through magnetotransport and local magnetic microstructures. From electron microscopy observations, some nanocrack defects (i.e. defects at a nanometer scale) were found, essentially in the center part of the single crystals. At room temperature, magnetic force microscopy measurements have shown that the absence of defects allowed a magnetic ordering of the domains at the crystal edge, which is the best-crystallized region. In addition, the magnetization loops have permitted us to verify that the crystal was ferromagnetically weaker in the center. On analyzing the electrical resistivity data, we observed in the linear current regime a sensitive variation of the resistivity due to defects, by comparing the center and the edge of the material at TMI. Additionally, at strong current, non-linearity phenomena have been supposed to be related to local heating. Finally, we discuss the structural disorder effect on the relaxation of the ferromagnetic domains.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	New York, N.Y.	Editor
	Language		Wos	000269679500012	Publication Date	2009-06-09
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0038-1098;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.554	Times cited	3	Open Access
	Notes				Approved	Most recent IF: 1.554; 2009 IF: 1.837
	Call Number	UA @ lucian @ c:irua:78289			Serial	868
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	Author	Papp, G.; Peeters, F.M.
	Title	Magneto-ballistic transport through micro-structured junctions on a curved two-dimensional electron gas			Type	A1 Journal article
	Year	2009	Publication	Solid state communications	Abbreviated Journal	Solid State Commun
	Volume	149	Issue	19/20	Pages	778-780
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We investigate theoretically the ballistic transport in a two-dimensional electron gas, which is rolled up as a tube and is micro-structured into a Hall bar. A uniform magnetic field applied to such a curved surface results in a non-uniform perpendicular magnetic field. The bend resistances become asymmetric with respect to the orientation of the magnetic field due to the varying magnetic field along the junction. The resistance asymmetry is strongly affected by corrugation due to the varying mobility along different crystallographic directions. We compare our results with a recent transport measurement.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	New York, N.Y.	Editor
	Language		Wos	000266149900011	Publication Date	2009-03-07
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0038-1098;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.554	Times cited	1	Open Access
	Notes				Approved	Most recent IF: 1.554; 2009 IF: 1.837
	Call Number	UA @ lucian @ c:irua:77580			Serial	1897
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	Author	Magnus, W.; Brosens, F.; Sorée, B.
	Title	Modeling drive currents and leakage currents : a dynamic approach			Type	A1 Journal article
	Year	2009	Publication	Journal of computational electronics	Abbreviated Journal	J Comput Electron
	Volume	8	Issue	3/4	Pages	307-323
	Keywords	A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems
	Abstract	The dynamics of electrons and holes propagating through the nano-scaled channels of modern semiconductor devices can be seen as a widespread manifestation of non-equilibrium statistical physics and its ruling principles. In this respect both the devices that are pushing conventional CMOS technology towards the final frontiers of Moores law and the upcoming set of alternative, novel nanostructures grounded on entirely new concepts and working principles, provide an almost unlimited playground for assessing physical models and numerical techniques emerging from classical and quantum mechanical non-equilibrium theory. In this paper we revisit the Boltzmann as well as the WignerBoltzmann equation which offers a valuable platform to study transport of charge carriers taking part in drive currents. We focus on a numerical procedure that regained attention recently as an alternative tool to solve the time-dependent Boltzmann equation for inhomogeneous systems, such as the channel regions of field-effect transistors, and we discuss its extension to the WignerBoltzmann equation. Furthermore, we pay attention to the calculation of tunneling leakage currents. The latter typically occurs in nano-scaled transistors when part of the carrier distribution sustaining the drive current is found to tunnel into the gate due the presence of an ultra-thin insulating barrier separating the gate from the channel region. In particular, we discuss the paradox related to the very existence of leakage currents established by electrons occupying quasi-bound states, while the (real) wave functions of the latter cannot carry net currents. Finally, we describe a simple model to resolve the paradox as well as to estimate gate currents provided the local carrier generation rates largely exceed the tunneling rates.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	S.l.	Editor
	Language		Wos	000208236100009	Publication Date	2009-09-28
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1569-8025;1572-8137;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.526	Times cited	4	Open Access
	Notes				Approved	Most recent IF: 1.526; 2009 IF: NA
	Call Number	UA @ lucian @ c:irua:89503			Serial	2110
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	Author	van der Linden, V.; Cosyns, P.; Schalm, O.; Cagno, S.; Nys, K.; Janssens, K.; Nowak, A.; Wagner, B.; Bulska, E.
	Title	Deeply coloured and black glass in the Northern provinces of the Roman Empire : differences and similarities in chemical composition before and after AD 150			Type	A1 Journal article
	Year	2009	Publication	Archaeometry	Abbreviated Journal	Archaeometry
	Volume	51	Issue	5	Pages	822-844
	Keywords	A1 Journal article; History; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	In this work we attempt to elucidate the chronological and geographical origin of deeply coloured and black glass dating between 100 bc and ad 300 on the basis of their major and trace element compositions. Samples from the western and eastern parts of the Roman Empire were analysed. Analytical data were obtained by means of a scanning electron microscope – energy-dispersive system (SEM-EDS, 63 samples analysed) and laser ablation – inductively coupled plasma – mass spectrometry (LA-ICP-MS, 41 samples analysed). Among the glass fragments analysed, dark brown, dark purple and dark green hues could be distinguished. Only among the dark green fragments could a clear compositional distinction be observed between fragments dated to the periods before and after ad 150. In the early samples (first century bc to first century ad), iron, responsible for the green hue, was introduced by using impure sand containing relatively high amounts of Ti. In contrast, a Ti-poor source of iron was employed, containing Sb, Co and Pb in trace quantities, in order to obtain the dark green colour in the later glass samples. The analytical results obtained by combining SEM-EDS and LA-ICP-MS are therefore consistent with a differentiation of glassmaking recipes, detectable in glass composition, occurring in the period around ad 150.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000269728600009	Publication Date	2008-11-27
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0003-813x; 1475-4754	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.47	Times cited	39	Open Access
	Notes				Approved	Most recent IF: 1.47; 2009 IF: 1.355
	Call Number	UA @ admin @ c:irua:94510			Serial	5568
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	Author	de Backer, J.W.; Vos, W.G.; Burnell, P.; Verhulst, S.L.; Salmon, P.; de Clerck, N.; de Backer, W.
	Title	Study of the variability in upper and lower airway morphology in Sprague-Dawley rats using modern micro-CT scan-based segmentation techniques			Type	A1 Journal article
	Year	2009	Publication	The anatomical record: advances in integrative anatomy and evolutionary biology	Abbreviated Journal	Anat Rec
	Volume	292	Issue	5	Pages	720-727
	Keywords	A1 Journal article; Condensed Matter Theory (CMT); Laboratory Experimental Medicine and Pediatrics (LEMP)
	Abstract	Animal models are being used extensively in pre-clinical and safety assessment studies to assess the effectiveness and safety of new chemical entities and delivery systems. Although never entirely replacing the need for animal testing, the use of computer simulations could eventually reduce the amount of animals needed for research purposes and refine the data acquired from the animal studies. Computational fluid dynamics is a powerful tool that makes it possible to simulate flow and particle behavior in animal or patient-specific respiratory models, for purposes of inhaled delivery. This tool requires an accurate representation of the respiratory system, respiration and dose delivery attributes. The aim of this study is to develop a representative airway model of the Sprague-Dawley rat using static and dynamic micro-CT scans. The entire respiratory tract was modeled, from the snout and nares down to the central airways at the point where no distinction could be made between intraluminal air and the surrounding tissue. For the selection of the representative model, variables such as upper airway movement, segmentation length, airway volume and size are taken into account. Dynamic scans of the nostril region were used to illustrate the characteristic morphology of this region in anaesthetized animals. It could be concluded from this study that it was possible to construct a highly detailed representative model of a Sprague-Dawley rat based on imaging modalities such as micro-CT scans
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	New York, N.Y.	Editor
	Language		Wos	000265766000010	Publication Date	2009-03-25
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1932-8486;1932-8494;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.431	Times cited	16	Open Access
	Notes				Approved	Most recent IF: 1.431; 2009 IF: 1.490
	Call Number	UA @ lucian @ c:irua:76455			Serial	3342
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	Author	Koblischka, M.R.; Winter, M.; Das, P.; Koblischka-Veneva, A.; Muralidhar, M.; Wolf, T.; Babu, N.H.; Turner, S.; Van Tendeloo, G.; Hartmann, U.
	Title	Observation of nanostripes and -clusters in (Nd, EuGd)Ba₂Cu₃O_x superconductors			Type	A1 Journal article
	Year	2009	Publication	Physica: C : superconductivity	Abbreviated Journal	Physica C
	Volume	469	Issue	4	Pages	168-176
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Nanostripes are observed in melt-textured and single-crystalline samples of the ternary light rare earth (LRE)-compound (Nd0.33Eu0.33Gd0.33)Ba2Cu3Ox (NEG) by means of atomic force microscopy, scanning tunnelling microscopy at ambient conditions, combined with transmission electron microscopy and electron backscatter diffraction. This enables the observation of several important features: The nanostripes are formed by chains of nanoclusters, representing the LRE/Ba substitution. The dimensions of the nanostripes are similar for both types of NEG samples. The periodicity of the nanostripes is found to range between 40 and 60 nm; the shape of the nanoclusters is elliptic with a major axis length between 300 and 500 nm and a minor axis length of about 30150 nm. The stripes are filling effectively the space in between the twin boundaries. Concerning the flux pinning, the nanoclusters are the important pinning sites, not the nanostripes themselves.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000264657100008	Publication Date	2009-01-23
	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	6	Open Access
	Notes				Approved	Most recent IF: 1.404; 2009 IF: 0.723
	Call Number	UA @ lucian @ c:irua:76403			Serial	2418
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	Author	Dubourdieu, C.; Rauwel, E.; Roussel, H.; Ducroquet, F.; Hollaender, B.; Rossell, M.; Van Tendeloo, G.; Lhostis, S.; Rushworth, S.
	Title	Addition of yttrium into HfO₂ films: microstructure and electrical properties			Type	A1 Journal article
	Year	2009	Publication	Journal of vacuum science and technology: A: vacuum surfaces and films	Abbreviated Journal	J Vac Sci Technol A
	Volume	27	Issue	3	Pages	503-514
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	The cubic phase of HfO2 was stabilized by addition of yttrium in thin films grown on Si/SiO2 by metal-organic chemical vapor deposition. The cubic phase was obtained for contents of 6.5 at. % Y or higher at a temperature as low as 470 °C. The complete compositional range (from 1.5 to 99.5 at. % Y) was investigated. The crystalline structure of HfO2 was determined from x-ray diffraction, electron diffraction, and attenuated total-reflection infrared spectroscopy. For cubic films, the continuous increase in the lattice parameter indicates the formation of a solid-solution HfO2Y2O3. As shown by x-ray photoelectron spectroscopy, yttrium silicate is formed at the interface with silicon; the interfacial layer thickness increases with increasing yttrium content and increasing film thickness. The dependence of the intrinsic relative permittivity r as a function of Y content was determined. It exhibits a maximum of ~30 for ~8.8 at. % Y. The cubic phase is stable upon postdeposition high-temperature annealing at 900 °C under NH3.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	New York, N.Y.	Editor
	Language		Wos	000265739100016	Publication Date	2009-05-02
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0734-2101;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.374	Times cited	29	Open Access
	Notes				Approved	Most recent IF: 1.374; 2009 IF: 1.297
	Call Number	UA @ lucian @ c:irua:77054			Serial	58
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	Author	Tian, H.; Schryvers, D.; Mohanchandra, K.P.; Carman, G.P.; van Humbeeck, J.
	Title	Fabrication and characterization of functionally graded Ni-Ti multilayer thin films			Type	A1 Journal article
	Year	2009	Publication	Functional materials letters	Abbreviated Journal	Funct Mater Lett
	Volume	2	Issue	2	Pages	61-66
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	A functionally graded multilayer NiTi thin film was deposited on a SiO2/Si substrate by d.c. sputtering using a ramped heated NiTi alloy target. The stand-alone films were crystallized at 500°C in vacuum better than 10-7 Torr. Transmission electron microscopy micrographs taken along the film cross section show two distinct regions, thin and thick, with weak R and B2 phases, respectively. The film compositions along the thickness were measured and quantified using the standard-less EELSMODEL method. The film deposited during the initial thermal ramp (thin regions) displays an average of 54 at.% Ni while the film deposited at a more elevated target temperature (thick regions) shows about 51 at.% Ni.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000271077000003	Publication Date	2009-07-22
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1793-6047;1793-7213;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.234	Times cited	9	Open Access
	Notes	Fwo			Approved	Most recent IF: 1.234; 2009 IF: 2.561
	Call Number	UA @ lucian @ c:irua:77655			Serial	1165
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	Author	Malard, B.; Pilch, J.; Sittner, P.; Gartnerova, V.; Delville, R.; Schryvers, D.; Curfs, C.
	Title	Microstructure and functional property changes in thin Ni-Ti wires heat teated by electric current: high energy X-ray and TEM investigations			Type	A1 Journal article
	Year	2009	Publication	Functional materials letters	Abbreviated Journal	Funct Mater Lett
	Volume	2	Issue	2	Pages	45-54
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	High energy synchrotron X-ray diffraction, transmission electron microscopy and mechanical testing were employed to investigate the evolution of microstructure, texture and functional superelastic properties of 0.1 mm thin as drawn NiTi wires subjected to a nonconventional heat treatment by controlled electric current (FTMT-EC method). As drawn NiTi wires were prestrained in tension and exposed to a sequence of short DC power pulses in the millisecond range. The annealing time in the FTMT-EC processing can be very short but the temperature and force could be very high compared to the conventional heat treatment of SMAs. It is shown that the heavily strained, partially amorphous microstructure of the as drawn NiTi wire transforms under the effect of the DC pulse and tensile stress into a wide range of annealed nanosized microstructures depending on the pulse time. The functional superelastic properties and microstructures of the FTMT-EC treated NiTi wire are comparable to those observed in straight annealed wires.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000271077000001	Publication Date	2009-07-22
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1793-6047;1793-7213;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.234	Times cited	21	Open Access
	Notes	Multimat			Approved	Most recent IF: 1.234; 2009 IF: 2.561
	Call Number	UA @ lucian @ c:irua:77656			Serial	2052
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	Author	Nikolaev, A.V.; Michel, K.H.
	Title	Elusive s-f intrasite interactions and double exchange in solids: ferromagnetic versus nonmagnetic ground state			Type	A1 Journal article
	Year	2009	Publication	Journal of experimental and theoretical physics	Abbreviated Journal	J Exp Theor Phys+
	Volume	109	Issue	2	Pages	286-292
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	From the theory of many-electron states in atoms, we know that there exists a strong Coulomb repulsion, which results in the electronic term structure of atoms and is responsible for Hunds rules. By expanding the Coulomb on-site repulsion into a multipolar series, we derive this interaction and show that it is also present in solids as a correlation effect, which means that the interaction requires a multideterminant version of the Hartree-Fock method. Of particular interest is the case where this interaction couples states of localized ( f) and delocalized ( s) electrons. We show that the interaction is bilinear in the creation/annihilation operators for localized electrons and bilinear in the operators for conduction electrons. To study the coupling, we consider a simple model in the framework of an effective limited configuration interaction method with one localized f-electron and one itinerant s-electron per crystal site. The on-site multipole interaction between the f- and s-electrons is explicitly taken into account. It is shown that depending on the low-lying excitation spectrum imposed by the crystal electric field, the model can lead not only to ferromagnetism but also to a nonmagnetic state. The model is relevant for solids with localized and itinerant electron states.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Woodbury, N.Y.	Editor
	Language		Wos	000270506500014	Publication Date	2009-09-18
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1063-7761;1090-6509;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.196	Times cited	3	Open Access
	Notes				Approved	Most recent IF: 1.196; 2009 IF: 0.871
	Call Number	UA @ lucian @ c:irua:79163			Serial	1027
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	Author	Leenaerts, O.; Partoens, B.; Peeters, F.M.
	Title	Adsorption of small molecules on graphene			Type	A1 Journal article
	Year	2009	Publication	Microelectronics journal	Abbreviated Journal	Microelectron J
	Volume	40	Issue	4/5	Pages	860-862
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We investigate the adsorption process of small molecules on graphene through first-principles calculations and show the presence of two main charge transfer mechanisms. Which mechanism is the dominant one depends on the magnetic properties of the adsorbing molecules. We explain these mechanisms through the density of states of the system and the molecular orbitals of the adsorbates, and demonstrate the possible difficulties in calculating the charge transfer from first principles between a graphene sheet and a molecule. Our results are in good agreement with experiment.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Luton	Editor
	Language		Wos	000265870200058	Publication Date	2008-12-26
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0026-2692;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.163	Times cited	116	Open Access
	Notes				Approved	Most recent IF: 1.163; 2009 IF: 0.778
	Call Number	UA @ lucian @ c:irua:77030			Serial	65
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	Author	Li, B.; Partoens, B.; Peeters, F.M.; Magnus, W.
	Title	Dielectric mismatch effect on coupled impurity states in a freestanding nanowire			Type	A1 Journal article
	Year	2009	Publication	Microelectronics journal	Abbreviated Journal	Microelectron J
	Volume	40	Issue	3	Pages	446-448
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We studied the coupled impurity states in a freestanding semiconductor nanowire (NW), within the effective mass approximation and including the effect of the dielectric mismatch, by using finite element method. Bonding and anti-bonding states are found and their energies converge with increasing distance di between the two impurities. The dependence of the binding energy on the wire radius R and the distance di between the two impurities is investigated, and we compare it with the result of a freestanding NW that contains a single impurity.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Luton	Editor
	Language		Wos	000264694700017	Publication Date	2008-07-30
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0026-2692;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.163	Times cited	4	Open Access
	Notes				Approved	Most recent IF: 1.163; 2009 IF: 0.778
	Call Number	UA @ lucian @ c:irua:76410			Serial	690
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