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	Author	Zha, G.-Q.; Chen, Y.; Peeters, F.M.; Zhou, S.-P.
	Title	Impurity-induced modulations of orders in d-wave superconductors			Type	A1 Journal article
	Year	2009	Publication	Physical review : B : solid state	Abbreviated Journal	Phys Rev B
	Volume	80	Issue	6	Pages	064518,1-064518,5
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	By using a model Hamiltonian with competing antiferromagnetic (AFM) and d-wave superconductivity orders, the impurity-induced structures of orders in d-wave superconductors is investigated. We find that the transition between one-dimensional stripe and two-dimensional checkerboardlike modulation around a single nonmagnetic impurity can take place as the strength of the AFM interaction U or the impurity scattering strength V0 is varied. It is also found that the impurity-induced stripe can first transit to checkerboardlike modulation and then disappears with increasing the next-nearest-neighbor hopping strength \|t\|. Phase diagrams of V0 versus U and \|t\| for various modulations of the spin order are presented. In addition, the quantum interference effect on the modulations of orders due to two strong nonmagnetic impurities is briefly examined, and the checkerboardlike and quasistripe patterns can occur depending on the sites where two impurities are placed.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lancaster, Pa	Editor
	Language		Wos	000269638800074	Publication Date	2009-09-01
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1098-0121;1550-235X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.836	Times cited	3	Open Access
	Notes				Approved	Most recent IF: 3.836; 2009 IF: 3.475
	Call Number	UA @ lucian @ c:irua:78293			Serial	1572
Permanent link to this record



	Author	Tirry, W.; Schryvers, D.
	Title	3D strain fields surrounding Ni₄Ti₃: direct measurement and correlation with the R-phase			Type	P1 Proceeding
	Year	2009	Publication		Abbreviated Journal
	Volume		Issue		Pages	02032,1-02032,6
	Keywords	P1 Proceeding; Electron microscopy for materials research (EMAT)
	Abstract	Strain fields introduced by coherent Ni4Ti3 precipitates in austenitic Ni-Ti are believed to be a possible origin of why the R-phase transformation is introduced as an extra step before transforming to the B19'. The presence of this strain field was already confirmed in the past by conventional transmission electron microscopy (TEM) techniques and measured quantitatively by high resolution TEM (HRTEM). This time the geometrical phase method is applied on HRTEM micrographs to measure the full 3D strain tensor of the strain fields. Since each atomic resolution micrograph only results in a 2D measurement of the strain, observations in two different zone orientations are combined to retrieve the 3 x 3 strain tensor. In this work observations in a [1-1 1](B2) and [1 0-1](B2) zone orientation are used and this in case of precipitates with a diameter of around 50nm. In a next step the measured strain tensor is compared to the calculated eigenstrain of the R-phase in reference to the B2 matrix. This comparison shows that the introduced strain is very similar to the eigenstrain of one R-phase variant. Since for both structures, Ni4Ti3 and R-phase, four orientation variants are possible, each variant of the R-phase is thus able to accommodate the strain field of one of the Ni4Ti3 variants.
	Address
	Corporate Author				Thesis
	Publisher	Edp	Place of Publication	Coutaboeuf	Editor
	Language		Wos	000274582300036	Publication Date	2009-08-31
	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:81953			Serial	17
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	Author	Tian, H.; Schryvers, D.; Shabalovskaya, S.; van Humbeeck, J.
	Title	TEM study of the mechanism of Ni ion release from Nitinol wires with original oxides			Type	P1 Proceeding
	Year	2009	Publication		Abbreviated Journal
	Volume		Issue		Pages	05027,1-05027,6
	Keywords	P1 Proceeding; Electron microscopy for materials research (EMAT)
	Abstract	The surface of commercial Nitinol wires with original oxides and a thickness in the 30-190 nm range was investigated by different state of art TEM techniques. The oxide surface layer was identified as a combination of TiO and TiO2 depending on the processing of the wire. Between the core of the wires and the oxidized surface, an interfacial Ni3Ti nanolayer was observed while Ni nanoparticles are found inside the original oxide. The particle sizes, their distribution in the surface and the Ti-O stoichiometry were deduced from the analysis of the obtained data. Molecular dynamics calculations performed for evaluation of the stability of Ni particles relative to the atomic state revealed that a pure Ni particle has a lower energy than free Ni atoms inside the TiO2 lattice. The obtained results are discussed with respect to surface stability and Ni release in the human body.
	Address
	Corporate Author				Thesis
	Publisher	Edp	Place of Publication	Coutaboeuf	Editor
	Language		Wos	000274582300092	Publication Date	2009-08-31
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN		ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited	1	Open Access
	Notes				Approved	Most recent IF: NA
	Call Number	UA @ lucian @ c:irua:81954			Serial	3493
Permanent link to this record



	Author	Idrissi, H.; Schryvers, D.; Salje, E.K.H.; Zhang, H.; Carpenter, M.A.; Moya, X.
	Title	Pinning of the martensitic microstructures by dislocations in Cu_74.08Al_23.13Be_2.79			Type	P1 Proceeding
	Year	2009	Publication		Abbreviated Journal
	Volume		Issue		Pages	02029,1-02029,5
	Keywords	P1 Proceeding; Electron microscopy for materials research (EMAT)
	Abstract	A single crystal of Cu74.08Al23.13Be2.79 undergoes a martensitic phase transition at 246K and 232K under heating and cooling, respectively. Surprisingly, the martensite phase is elastically much harder than the austenite phase showing that interfaces between various crystallographic variants are strongly pinned and can not be moved by external stress while the phase boundary between the austenite and martensite regions in the sample remains mobile. This unusual behavior was revealed by Dynamical Mechanical Analysis and Resonant Ultrasound Spectroscopy. Transmission Electron Microscopy shows that the pinning is generated by dislocations, which are inherited from the austenite phase. Such dislocations can hinder the movement of stacking faults in the 18R martensite structure or twin boundaries between martensite variants.
	Address
	Corporate Author				Thesis
	Publisher	Edp	Place of Publication	Coutaboeuf	Editor
	Language		Wos	000274582300033	Publication Date	2009-08-31
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN		ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited	2	Open Access
	Notes				Approved	Most recent IF: NA
	Call Number	UA @ lucian @ c:irua:81952			Serial	2626
Permanent link to this record



	Author	Delville, R.; James, R.D.; Salman, U.; Finel, A.; Schryvers, D.
	Title	Transmission electron microscopy study of low-hysteresis shape memory alloys			Type	P1 Proceeding
	Year	2009	Publication		Abbreviated Journal
	Volume		Issue		Pages	02005,1-02005,7
	Keywords	P1 Proceeding; Electron microscopy for materials research (EMAT)
	Abstract	Recent findings have linked low hysteresis in shape memory alloys with phase compatibility between austenite and martensite. In order to investigate the evolution of microstructure as the phase compatibility increases and the hysteresis is reduced, transmission electron microscopy was used to study the alloy system Ti50Ni50-xPdx where the composition is systemically tuned to approach perfect compatibility. Changes in morphology, twinning density and twinning modes are reported along with special microstructures occurring when the compatibility is achieved. In addition, the interface between austenite and a single variant of martensite was studied by high-resolution and conventional electron microscopy. The atomically sharp, defect free, low energy configuration of the interface suggests that it plays an important role in the lowering of hysteresis. Finally, dynamical modeling of the martensitic transformation using the phase-field micro-elasticity model within the geometrically linear theory succeeded in reproducing the change in microstructure as the compatibility condition is satisfied. Latest results on the extension of these findings in other Ni-Ti based ternary/quaternary systems are also reported.
	Address
	Corporate Author				Thesis
	Publisher	Edp	Place of Publication	Coutaboeuf	Editor
	Language		Wos	000274582300009	Publication Date	2009-08-31
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN		ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited	3	Open Access
	Notes				Approved	Most recent IF: NA
	Call Number	UA @ lucian @ c:irua:81951			Serial	3716
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	Author	Cao, S.; Nishida, M.; Somsen, C.; Eggeler, G.; Schryvers, D.
	Title	3D FIB/SEM study of Ni₄Ti₃ precipitates in Ni-Ti alloys with different thermal-mechanical histories			Type	P1 Proceeding
	Year	2009	Publication		Abbreviated Journal
	Volume		Issue		Pages	02004,1-02004,6
	Keywords	P1 Proceeding; Electron microscopy for materials research (EMAT)
	Abstract	The three-dimensional size, morphology and distribution of Ni4Ti3 precipitates growing in binary Ni-rich Ni-Ti alloys have been investigated via a slice view procedure in a Dual-Beam FIB/SEM system, in order to better stress-free Ni50.8Ti49.2 alloy with all four variants of precipitates and a compressed Ni51Ti49 alloy with aligned precipitates in one family were studied. The Ni4Ti3 precipitates reach a volume fraction of 9.6% in the reconstructed region of the stress-free alloy and 4.3% in the compressed one. In both cases, the mean volume, specific surface area, sphericity and aspect ratio of the precipitates are calculated and the Pair Distribution Functions of the precipitates are obtained. It is shown that most precipitates in the stress-free sample grow larger and have a more lenticular shape, while those in the compressed sample are more cylindrical. Deviations from these ideal shapes reveal internal steps in the stress-free sample and lamellae formation in the compressed one.
	Address
	Corporate Author				Thesis
	Publisher	Edp	Place of Publication	Coutaboeuf	Editor
	Language		Wos	000274582300008	Publication Date	2009-08-31
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN		ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited	1	Open Access
	Notes				Approved	Most recent IF: NA
	Call Number	UA @ lucian @ c:irua:81950 c:irua:81950			Serial	14
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	Author	van den Broek, W.; Van Aert, S.; van Dyck, D.
	Title	A model based atomic resolution tomographic algorithm			Type	A1 Journal article
	Year	2009	Publication	Ultramicroscopy	Abbreviated Journal	Ultramicroscopy
	Volume	109	Issue	12	Pages	1485-1490
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
	Abstract	Tomography with high angular annular dark field scanning transmission electron microscopy at atomic resolution can be greatly improved if one is able to take advantage of prior knowledge. In this paper we present a reconstruction technique that explicitly takes into account the microscope parameters and the atomic nature of the projected object. This results in a more accurate estimate of the atomic positions and in a good resistance to noise. The reconstruction is a maximum likelihood estimator of the object. Moreover, the limits to the precision have been explored, allowing for a prediction of the amount of expected noise in the reconstruction for a certain experimental setup. We believe that the proposed reconstruction technique can be generalized to other tomographic experiments.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000271840200010	Publication Date	2009-08-28
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0304-3991;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.843	Times cited	17	Open Access
	Notes				Approved	Most recent IF: 2.843; 2009 IF: 2.067
	Call Number	UA @ lucian @ c:irua:78588			Serial	2097
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	Author	Tarakina, N.V.; Zubkov, V.G.; Leonidov, I.I.; Tyutunnik, A.P.; Surat, L.L.; Hadermann, J.; Van Tendeloo, G.
	Title	Crystal structure of the group of optical materials Ln₂MeGe₄O₁₂ (Me = Ca, Mn)			Type	A1 Journal article
	Year	2009	Publication	Zeitschrift für Kristallographie	Abbreviated Journal
	Volume		Issue	S:30	Pages	401-406
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	The crystal structure of the group of optical materials Ln2MeGe4O12, Ln = Eu, Gd, Dy-Lu, Y; Me = Ca, Mn and of the solid solution (Y1-xErx)2CaGe4O12 (x = 0 – 1), promising materials for photonics, has been studied in detail. The crystal structure of all compounds exhibit two alternating layers: one formed by Ln and Me atoms and another by cyclic [Ge4O12]8- anions.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	München	Editor
	Language		Wos	000271325700028	Publication Date	2009-08-27
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0930-486X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited	7	Open Access
	Notes	Iap			Approved	Most recent IF: NA
	Call Number	UA @ lucian @ c:irua:79988			Serial	575
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	Author	Tarakina, N.V.; Denisova, T.A.; Maksimova, L.G.; Baklanova, Y.V.; Tyutyunnik, A.P.; Berger, I.F.; Zubkov, V.G.; Van Tendeloo, G.
	Title	Investigation of stacking disorder in Li₂SnO₃			Type	A1 Journal article
	Year	2009	Publication	Zeitschrift für Kristallographie	Abbreviated Journal
	Volume		Issue	S:30	Pages	375-380
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	A crystal structure investigation of the low temperature Li2SnO3 modification has been carried out. X-ray, neutron powder and electron diffraction data showed that this compound crystallizes in a monoclinic unit cell with parameters: a = 5.3033(2)Å, b = 9.1738(3)Å, c = 10.0195(2)Å, β ~ 100.042(2)º and has stacking disorder along the c-axis. Simulation of diffraction patterns with different stacking faults mainly reveal the presence of rotational stacking faults with a probability of about 40% .
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	München	Editor
	Language		Wos	000271325700024	Publication Date	2009-08-27
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0930-486X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited	16	Open Access
	Notes	Iap			Approved	Most recent IF: NA
	Call Number	UA @ lucian @ c:irua:79987			Serial	1735
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	Author	Zarenia, M.; Pereira, J.M.; Peeters, F.M.; Farias, G.A.
	Title	Electrostatically confined quantum rings in bilayer graphene			Type	A1 Journal article
	Year	2009	Publication	Nano letters	Abbreviated Journal	Nano Lett
	Volume	9	Issue	12	Pages	4088-4092
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We propose a new system where electron and hole states are electrostatically confined into a quantum ring in bilayer graphene. These structures can be created by tuning the gap of the graphene bilayer using nanostructured gates or by position-dependent doping. The energy levels have a magnetic field (B0) dependence that is strikingly distinct from that of usual semiconductor quantum rings. In particular, the eigenvalues are not invariant under a B0 ¨ −B0 transformation and, for a fixed total angular momentum index m, their field dependence is not parabolic, but displays two minima separated by a saddle point. The spectra also display several anticrossings, which arise due to the overlap of gate-confined and magnetically confined states.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Washington	Editor
	Language		Wos	000272395400023	Publication Date	2009-08-25
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1530-6984;1530-6992;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	12.712	Times cited	42	Open Access
	Notes				Approved	Most recent IF: 12.712; 2009 IF: 9.991
	Call Number	UA @ lucian @ c:irua:80318			Serial	1024
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	Author	Pourghaderi, M.A.; Magnus, W.; Sorée, B.; Meuris, M.; de Meyer, K.; Heyns, M.
	Title	Tunneling-lifetime model for metal-oxide-semiconductor structures			Type	A1 Journal article
	Year	2009	Publication	Physical review : B : solid state	Abbreviated Journal	Phys Rev B
	Volume	80	Issue	8	Pages	085315,1-085315,10
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	In this paper we investigate the basic physics of charge carriers (electrons) leaking out of the inversion layer of a metal-oxide-semiconductor capacitor with a biased gate. In particular, we treat the gate leakage current as resulting from two combined processes: (1) the time-dependent decay of electron wave packets representing the inversion-layer charge and (2) the local generation of new electrons replacing those that have leaked away. As a result, the gate current simply emerges as the ratio of the total charge in the inversion layer to the tunneling lifetime. The latter is extracted from the quantum dynamics of the decaying wave packets, while the generation rate is incorporated as a phenomenological source term in the continuity equation. Not only do the gate currents calculated with this model agree very well with experiment, the model also provides an onset to solve the paradox of the current-free bound states representing the resonances of the Schrödinger equation that governs the fully coupled metal-oxide-semiconductor system.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lancaster, Pa	Editor
	Language		Wos	000269639300076	Publication Date	2009-08-21
	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	2	Open Access
	Notes				Approved	Most recent IF: 3.836; 2009 IF: 3.475
	Call Number	UA @ lucian @ c:irua:78294			Serial	3763
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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	Wang, M.; Chang, K.; Wang, L.G.; Dai, N.; Peeters, F.M.
	Title	Crystallographic plane tuning of charge and spin transport in semiconductor quantum wires			Type	A1 Journal article
	Year	2009	Publication	Nanotechnology	Abbreviated Journal	Nanotechnology
	Volume	20	Issue	36	Pages	365202,1-365202,8
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We investigate theoretically the charge and spin transport in quantum wires grown along different crystallographic planes in the presence of the Rashba spinorbit interaction (RSOI) and the Dresselhaus spinorbit interaction (DSOI). We find that changing the crystallographic planes leads to a variation of the anisotropy of the conductance due to a different interplay between the RSOI and DSOI, since the DSOI is induced by bulk inversion asymmetry, which is determined by crystallographic plane. This interplay depends sensitively on the crystallographic planes, and consequently leads to the anisotropic charge and spin transport in quantum wires embedded in different crystallographic planes.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Bristol	Editor
	Language		Wos	000269077000003	Publication Date	2009-08-19
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0957-4484;1361-6528;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.44	Times cited	14	Open Access
	Notes				Approved	Most recent IF: 3.44; 2009 IF: 3.137
	Call Number	UA @ lucian @ c:irua:78933			Serial	588
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	Author	Berdiyorov, G.R.; Yu, S.H.; Xiao, Z.L.; Peeters, F.M.; Hua, J.; Imre, A.; Kwok, W.K.
	Title	Effect of sample geometry on the phase boundary of a mesoscopic superconducting loop			Type	A1 Journal article
	Year	2009	Publication	Physical review : B : solid state	Abbreviated Journal	Phys Rev B
	Volume	80	Issue	6	Pages	064511,1-064511,6
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We studied the effect of sample geometry on the evolution of the superconducting state in nanoscale Nb circular and square loops by transport measurements. A multistage resistive transition with temperature is found for both samples, which is related to the effect of contact leads made from the same superconducting material. The H-T phase diagrams close to Tc0 show clear periodic oscillations on top of a parabolic background, i.e., Little-Parks effect. However, the amplitude of the oscillations decreases faster in the circular loop compared to the one in the square sample. Numerical simulations are conducted within the nonlinear Ginzburg-Landau theory to show the effect of sample geometry on the nucleation of superconductivity in superconducting loop structures.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lancaster, Pa	Editor
	Language		Wos	000269638800067	Publication Date	2009-08-17
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1098-0121;1550-235X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.836	Times cited	21	Open Access
	Notes				Approved	Most recent IF: 3.836; 2009 IF: 3.475
	Call Number	UA @ lucian @ c:irua:78292			Serial	833
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	Author	Zhang, H.; Yang, J.-H.; Shpanchenko, R.V.; Abakumov, A.M.; Hadermann, J.; Clérac, R.; Dikarev, E.V.
	Title	New class of single-source precursors for the synthesis of main group-transition metal oxides: heterobimetallic Pb-Mn \beta-diketonates			Type	A1 Journal article
	Year	2009	Publication	Inorganic chemistry	Abbreviated Journal	Inorg Chem
	Volume	48	Issue	17	Pages	8480-8488
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Heterometallic lead−manganese â-diketonates have been isolated in pure form by several synthetic methods that include solid-state and solution techniques. Two compounds with different Pb/Mn ratios, PbMn2(hfac)6 (1) and PbMn(hfac)4 (2) (hfac = hexafluoroacetylacetonate), can be obtained in quantitative yield by using different starting materials. Single crystal X-ray investigation revealed that the solid-state structure of 1 contains trinuclear molecules in which lead metal center is sandwiched between two [Mn(hfac)3] units, while 2 consists of infinite chains of alternating [Pb(hfac)2] and [Mn(hfac)2] fragments. The heterometallic structures are held together by strong Lewis acid−base interactions between metal atoms and diketonate ligands acting in chelating-bridging fashion. Spectroscopic investigation confirmed the retention of heterometallic structures in solutions of non-coordinating solvents as well as upon sublimation-deposition procedure. Thermal decomposition of heterometallic diketonates has been systematically investigated in a wide range of temperatures and annealing times. For the first time, it has been shown that thermal decomposition of heterometallic diketonates results in mixed-metal oxides, while both the structure of precursors and the thermolysis conditions have a significant influence on the nature of the resulting oxides. Five different Pb−Mn oxides have been detected by X-ray powder diffraction when studying the decomposition of 1 and 2 in the temperature range 500−800 °C. The phase that has been previously reported as Pb0.43MnO2.18 was synthesized in the pure form by decomposition of 1, and crystallographically characterized. The orthorhombic unit cell parameters of this oxide, obtained by electron diffraction technique, have been subsequently refined using X-ray powder diffraction data. Besides that, a previously unknown lead−manganese oxide has been obtained at low temperature decomposition and short annealing times. The parameters of its monoclinically distorted unit cell have been determined. The EDX analysis revealed that this compound has a Pb/Mn ratio close to 1:4 and contains no appreciable amount of fluorine.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Easton, Pa	Editor
	Language		Wos	000269313500056	Publication Date	2009-08-04
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0020-1669;1520-510X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.857	Times cited	28	Open Access
	Notes				Approved	Most recent IF: 4.857; 2009 IF: 4.657
	Call Number	UA @ lucian @ c:irua:78486			Serial	2308
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	Author	Khalil-Allafi, J.; Amin-Ahmadi, B.
	Title	The effect of chemical composition on enthalpy and entropy changes of martensitic transformations in binary NiTi shape memory alloys			Type	P3 Proceeding
	Year	2009	Publication	Journal Of Alloys And Compounds	Abbreviated Journal	J Alloy Compd
	Volume	487	Issue		Pages	363-366
	Keywords	P3 Proceeding; Condensed Matter Theory (CMT)
	Abstract	In the present research work the binary NiTi alloys with various compositions in the range of 50.351 at.% Ni were used. Samples have been annealed at 850 °C for 15 min and then quenched in water. In order to characterize transformation temperatures and enthalpy changes of the forward and the reverse martensitic transformation, Differential Scanning Calorimetric (DSC) experiments were performed. The enthalpy and entropy changes as a function of Ni atomic content have been thermodynamically investigated. Results show that enthalpy and entropy changes of martensitic transformation decrease when Ni atomic content increases. The variation of enthalpy and entropy of martensitic transformation with Ni content in binary NiTi alloys were explained by thermodynamic parameters and electron concentration of alloy (e/a) respectively.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000272521900073	Publication Date	2009-07-31
	Series Editor		Series Title		Abbreviated Series Title	Proceedings of the 22nd International Conference on the Physics of Semiconductors
	Series Volume		Series Issue		Edition
	ISSN	0925-8388;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.133	Times cited	30	Open Access
	Notes				Approved	Most recent IF: 3.133; 2009 IF: 2.135
	Call Number	UA @ lucian @ c:irua:122040			Serial	804
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	Author	Hao, Y.L.; Djotyan, A.P.; Avetisyan, A.A.; Peeters, F.M.
	Title	Shallow donor states near a semiconductor-insulator-metal interface			Type	A1 Journal article
	Year	2009	Publication	Physical review : B : solid state	Abbreviated Journal	Phys Rev B
	Volume	80	Issue	3	Pages	035329,1-035329,10
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	The lowest energy electronic states of a donor located near a semiconductor-insulator-metal interface are investigated within the effective mass approach. The effect of the finite thickness of the insulator between the semiconductor and the metallic gate on the energy levels is studied. The lowest energy states are obtained through a variational approach, which takes into account the influence of all image charges that arise due to the presence of the metallic and the dielectric interfaces. We compare our results with a numerical exact calculation using the finite element technique.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lancaster, Pa	Editor
	Language		Wos	000268617800101	Publication Date	2009-07-30
	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	22	Open Access
	Notes				Approved	Most recent IF: 3.836; 2009 IF: 3.475
	Call Number	UA @ lucian @ c:irua:77950			Serial	2989
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	Author	Croitoru, M.D.; Shanenko, A.A.; Peeters, F.M.
	Title	Tuning the superconducting properties of nanomaterials			Type	H1 Book chapter
	Year	2009	Publication		Abbreviated Journal
	Volume		Issue		Pages	1-14
	Keywords	H1 Book chapter; Condensed Matter Theory (CMT); Electron microscopy for materials research (EMAT)
	Abstract	Electron continement and its effect on the superconducting-to-normal phase transition driven by a magentic field and/or a current is studied in nanowires. Our investigation is based on a self-consistent numerical solution of the Bogoliubov-de Gennes equations. We find that in a parallel magneitc field and/or in the presence of a supercurrent the transition from the superconducting to the normal phase occurs as a cascade of discontinuous jumps in the superconducting order parameter for diameters D < 10 divided by 15 nm at T = 0. The critical magentic field exhibits quantum-size oscillations with pronounced resonant enhancements as a function of the wire radius.
	Address
	Corporate Author				Thesis
	Publisher	Springer	Place of Publication	Dordrecht	Editor
	Language		Wos	000274282900001	Publication Date	2009-07-29
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1874-6500;	ISBN	978-90-481-3118-1	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:99226			Serial	3761
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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	Lepoittevin, C.; Hadermann, J.; Malo, S.; Pérez, O.; Van Tendeloo, G.; Hervieu, M.
	Title	Two variants of the 1/2[110]_p(203)_p crystallographic shear structures: the phasoid Sr_0.61Pb_0.18(Fe_0.75Mn_0.25)O_2.29			Type	A1 Journal article
	Year	2009	Publication	Inorganic chemistry	Abbreviated Journal	Inorg Chem
	Volume	48	Issue	17	Pages	8257-8262
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	For the composition (Sr0.61Pb0.18)(Fe0.75Mn0.25)O2.29, a new modulated crystallographic shear structure, related to perovskite, has been synthesized and structurally characterized by transmission electron microscopy. The structure can be described using a monoclinic supercell with cell parameters am = 27.595(2) Å, bm = 3.8786(2) Å, cm = 13.3453(9) Å, and βm = 100.126(5)°, refined from powder X-ray diffraction data. The incommensurate crystallographic shear phases require an alternative approach using the superspace formalism. This allows a unified description of the incommensurate phases from a monoclinically distorted perovskite unit cell and a modulation wave vector. The structure deduced from the high-resolution transmission electron microscopy and high-angle annular dark-field−scanning transmission electron microscopy images is that of a 1/2[110]p(203)p crystallographic shear structure. The structure follows the concept of a phasoid, with two coexisting variants with the same unit cell. The difference is situated at the translational interface, with the local formation of double (phase 2) or single (phase 1) tunnels, where the Pb cations are likely located.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Easton, Pa	Editor
	Language		Wos	000269313500032	Publication Date	2009-07-24
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0020-1669;1520-510X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.857	Times cited	11	Open Access
	Notes	Esteem 026019			Approved	Most recent IF: 4.857; 2009 IF: 4.657
	Call Number	UA @ lucian @ c:irua:78482			Serial	3786
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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	Croitoru, M.D.; Shanenko, A.A.; Kaun, C.C.; Peeters, F.M.
	Title	Superconducting nanowires: interplay of discrete transverse modes with supercurrent			Type	A1 Journal article
	Year	2009	Publication	Physical review : B : solid state	Abbreviated Journal	Phys Rev B
	Volume	80	Issue	2	Pages	024513,1-024513,11
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
	Abstract	From a numerical solution of the Bogoliubov-de Gennes equations, we investigate an interplay of the transverse discrete modes with a longitudinal supercurrent in a metallic cylindrical superconducting nanowire. The superconductor-to-normal transition induced by a longitudinal superflow of electrons is found to occur as a cascade of jumps in the order parameter (supercurrent and superfluid density) as a function of the superfluid velocity for diameters d<1015 nm (for Al parameters) and sufficiently low temperatures T<0.30.4Tc, with Tc the critical temperature. When approaching Tc, the jumps are smoothed into steplike but continuous drops. A similar picture occurs for d>1520 nm. Only when the diameter exceeds 5070 nm the quantum-size cascades are fully washed out, and we arrive at the mesoscopic regime. Below this regime the critical current density jc exhibits the quantum-size oscillations with pronounced resonant enhancements: the smaller the diameter, the more significant is the enhancement. Thickness fluctuations of real samples will smooth out such oscillations into an overall growth of jc with decreasing nanowire diameter.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lancaster, Pa	Editor
	Language		Wos	000268617500092	Publication Date	2009-07-22
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1098-0121;1550-235X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.836	Times cited	21	Open Access
	Notes				Approved	Most recent IF: 3.836; 2009 IF: 3.475
	Call Number	UA @ lucian @ c:irua:77949			Serial	3358
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	Author	Ke, X.; Bals, S.; Romo Negreira, A.; Hantschel, T.; Bender, H.; Van Tendeloo, G.
	Title	TEM sample preparation by FIB for carbon nanotube interconnects			Type	A1 Journal article
	Year	2009	Publication	Ultramicroscopy	Abbreviated Journal	Ultramicroscopy
	Volume	109	Issue	11	Pages	1353-1359
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	A powerful method to study carbon nanotubes (CNTs) grown in patterned substrates for potential interconnects applications is transmission electron microscopy (TEM). However, high-quality TEM samples are necessary for such a study. Here, TEM specimen preparation by focused ion beam (FIB) has been used to obtain lamellae of patterned samples containing CNTs grown inside contact holes. A dual-cap Pt protection layer and an extensive 5 kV cleaning procedure are applied in order to preserve the CNTs and avoid deterioration during milling. TEM results show that the inner shell structure of the carbon nanotubes has been preserved, which proves that focused ion beam is a useful technique to prepare TEM samples of CNT interconnects.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000270765800006	Publication Date	2009-07-11
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0304-3991;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.843	Times cited	21	Open Access
	Notes	Esteem 026019; Iap			Approved	Most recent IF: 2.843; 2009 IF: 2.067
	Call Number	UA @ lucian @ c:irua:79074			Serial	3485
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	Author	Verbeeck, J.; Bertoni, G.
	Title	Deconvolution of core electron energy loss spectra			Type	A1 Journal article
	Year	2009	Publication	Ultramicroscopy	Abbreviated Journal	Ultramicroscopy
	Volume	109	Issue	11	Pages	1343-1352
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Different deconvolution methods for removing multiple scattering and instrumental broadening from core loss electron energy loss spectra are compared with special attention to the artefacts they introduce. The Gaussian modifier method, Wiener filter, maximum entropy, and model based methods are described. Their performance is compared on virtual spectra where the true single scattering distribution is known. A test on experimental spectra confirms the good performance of model based deconvolution in comparison to maximum entropy methods and shows the advantage of knowing the estimated error bars from a single spectrum acquisition.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000270765800005	Publication Date	2009-07-01
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0304-3991;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.843	Times cited	13	Open Access
	Notes	Fwo; Esteem 026019			Approved	Most recent IF: 2.843; 2009 IF: 2.067
	Call Number	UA @ lucian @ c:irua:79073UA @ admin @ c:irua:79073			Serial	610
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	Author	Hadermann, J.; Abakumov, A.M.; Adkin, J.J.; Hayward, M.A.
	Title	Topotactic reduction as a route to new close-packed anion deficient perovskites: structure and magnetism of 4H-BaMnO_2+x			Type	A1 Journal article
	Year	2009	Publication	Journal of the American Chemical Society	Abbreviated Journal	J Am Chem Soc
	Volume	131	Issue	30	Pages	10598-10604
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	The anion-deficient perovskite 4H-BaMnO2+x has been obtained by a topotactic reduction, with LiH, of the hexagonal perovskite 4H-BaMnO3−x. The crystal structure of 4H-BaMnO2+x was solved using electron diffraction and X-ray powder diffraction and further refined using neutron powder diffraction (S.G. Pnma, a = 10.375(2) Å, b = 9.466(2) Å, c = 11.276(3) Å, at 373 K). The orthorhombic superstructure arises from the ordering of oxygen vacancies within a 4H (chch) stacking of close packed c-type BaO2.5 and h-type BaO1.5 layers. The ordering of the oxygen vacancies transforms the Mn2O9 units of face-sharing MnO6 octahedra into Mn2O7 (two corner-sharing tetrahedra) and Mn2O6 (two edge-sharing tetrahedra) groups. The Mn2O7 and Mn2O6 groups are linked by corner-sharing into a three-dimensional framework. The structures of the BaO2.5 and BaO1.5 layers are different from those observed previously in anion-deficient perovskites providing a new type of order pattern of oxygen atoms and vacancies in close packed structures. Magnetization measurements and neutron diffraction data reveal 4H-BaMnO2+x adopts an antiferromagnetically ordered state below TN ≈ 350 K.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Washington, D.C.	Editor
	Language		Wos	000268644400056	Publication Date	2009-07-01
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0002-7863;1520-5126;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	13.858	Times cited	25	Open Access
	Notes				Approved	Most recent IF: 13.858; 2009 IF: 8.580
	Call Number	UA @ lucian @ c:irua:77928			Serial	3681
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	Author	Leenaerts, O.; Partoens, B.; Peeters, F.M.
	Title	Water on graphene: hydrophobicity and dipole moment using density functional theory			Type	A1 Journal article
	Year	2009	Publication	Physical review : B : solid state	Abbreviated Journal	Phys Rev B
	Volume	79	Issue	23	Pages	235440,1-235440,5
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We apply density-functional theory to study the adsorption of water clusters on the surface of a graphene sheet and find i) graphene is highly hydrophobic and ii) adsorbed water has very little effect on the electronic structure of graphene. A single water cluster on graphene has a very small average dipole moment which is in contrast with an ice layer that exhibits a strong dipole moment.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lancaster, Pa	Editor
	Language		Wos	000267699500147	Publication Date	2009-06-29
	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	292	Open Access
	Notes				Approved	Most recent IF: 3.836; 2009 IF: 3.475
	Call Number	UA @ lucian @ c:irua:77693			Serial	3904
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	Author	Van Passel, S.; Van Huylenbroeck, G.; Lauwers, L.; Mathijs, E.
	Title	Sustainable value assessment of farms using frontier efficiency benchmarks			Type	A1 Journal article
	Year	2009	Publication	Journal Of Environmental Management	Abbreviated Journal	J Environ Manage
	Volume	90	Issue	10	Pages	3057-3069
	Keywords	A1 Journal article; Economics
	Abstract	Appropriate assessment of firm sustainability facilitates actor-driven processes towards sustainable development. The methodology in this paper builds further on two proven methodologies for the assessment of sustainability performance: it combines the sustainable value approach with frontier efficiency benchmarks. The sustainable value methodology tries to relate firm performance to the use of different resources. This approach assesses contributions to corporate sustainability by comparing firm resource productivity with the resource productivity of a benchmark, and this for all resources considered. The efficiency is calculated by estimating the production frontier indicating the maximum feasible production possibilities. In this research, the sustainable value approach is combined with efficiency analysis methods to benchmark sustainability assessment. In this way, the production theoretical underpinnings of efficiency analysis enrich the sustainable value approach. The methodology is presented using two different functional forms: the CobbDouglas and the translog functional forms. The simplicity of the CobbDouglas functional form as benchmark is very attractive but it lacks flexibility. The translog functional form is more flexible but has the disadvantage that it requires a lot of data to avoid estimation problems. Using frontier methods for deriving firm specific benchmarks has the advantage that the particular situation of each company is taken into account when assessing sustainability. Finally, we showed that the methodology can be used as an integrative sustainability assessment tool for policy measures.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000269022800013	Publication Date	2009-06-24
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0301-4797	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles; WoS full record; WoS citing articles
	Impact Factor	4.01	Times cited	41	Open Access
	Notes				Approved	Most recent IF: 4.01; 2009 IF: 2.367
	Call Number	UA @ admin @ c:irua:136762			Serial	6259
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	Author	Pop, N.; Pralong, V.; Caignaert, V.; Colin, J.F.; Malo, S.; Van Tendeloo, G.; Raveau, B.
	Title	Topotactic transformation of the cationic conductor Li₄Mo₅O₁₇ into a rock salt type oxide Li₁₂Mo₅O₁₇			Type	A1 Journal article
	Year	2009	Publication	Chemistry of materials	Abbreviated Journal	Chem Mater
	Volume	21	Issue	14	Pages	3242-3250
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Intercalation of lithium in the ribbon structure Li4Mo5O17 has been achieved, using both electrochemistry and soft chemistry. The ab initio structure determination of the ¡°Mo−O¡± framework of Li12Mo5O17 shows that the [Mo5O17]¡Þ ribbons keep the same arrangement of edge sharing MoO6 octahedra and the same orientation as in the parent structure but that a topotactic antidistortion of the ribbons appears, as a result of the larger size of Mo4+ in ¡°Li12¡± compared to Mo6+ in ¡°Li4¡±. On the basis of bond valence calculations, it is observed that 12 octahedral sites are available for Li+ in the new structure so that an ordered hypothetical rock salt type structure can be proposed for Li12Mo5O17. After the first Li insertion, a stable reversible capacity of 100 mA¡¤h/g is maintained after 20 cycles. A complete structural reversibility leading back to the ribbon type Li4Mo5O17 structure is obtained using a very low rate of C/100. The exploration of the Li mobility in those oxides shows that Li4Mo5O17 is a cationic conductor with ¦Ò = 10−3.5 S/cm at 500 ¡ãC and Ea = 0.35 eV.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Washington, D.C.	Editor
	Language		Wos	000268174400032	Publication Date	2009-06-24
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0897-4756;1520-5002;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	9.466	Times cited	18	Open Access
	Notes				Approved	Most recent IF: 9.466; 2009 IF: 5.368
	Call Number	UA @ lucian @ c:irua:78285			Serial	3682
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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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