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	Author	Abdullah, H.M.; Zarenia, M.; Bahlouli, H.; Peeters, F.M.; Van Duppen, B.
	Title	Gate tunable layer selectivity of transport in bilayer graphene nanostructures			Type	A1 Journal article
	Year	2016	Publication	Europhysics letters	Abbreviated Journal	Epl-Europhys Lett
	Volume	113	Issue	113	Pages	17006
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Recently it was found that bilayer graphene may exhibit regions with and without van der Waals coupling between the two layers. We show that such structures can exhibit a strong layer selectivity when current flows through the coupled region and that this selectivity can be tuned by means of electrostatic gating. Analysing how this effect depends on the type of bilayer stacking, the potential on the gates and the smoothness of the boundary between the coupled and decoupled regions, we show that nearly perfect layer selectivity is achievable in these systems. This effect can be further used to realise a tunable layer switch.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000371479500024	Publication Date	2016-01-28
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0295-5075	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.957	Times cited	15	Open Access
	Notes	HMA and HB acknowledge the support of the Saudi Center for Theoretical Physics (SCTP) for their generous support and the support of King Fahd University of Petroleum and Minerals under physics research group projects RG1306-1 and RG01306-2. This work is supported by the Flemish Science Foundation (FWO-Vl) by a PhD grant (BVD) and a post-doctoral fellowship (MZ).			Approved	Most recent IF: 1.957
	Call Number	c:irua:131909 c:irua:131909			Serial	4037
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	Author	Li, T.; Piltz, B.; Podola, B.; Dron, A.; de Beer, D.; Melkonian, M.
	Title	Microscale profiling of photosynthesis-related variables in a highly productive biofilm photobioreactor			Type	A1 Journal article
	Year	2016	Publication	Biotechnology and bioengineering	Abbreviated Journal
	Volume	113	Issue	5	Pages	1046-1055
	Keywords	A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
	Abstract	In the present study depth profiles of light, oxygen, pH and photosynthetic performance in an artificial biofilm of the green alga Halochlorella rubescens in a porous substrate photobioreactor (PSBR) were recorded with microsensors. Biofilms were exposed to different light intensities (50-1,000mol photons m(-2) s(-1)) and CO2 levels (0.04-5% v/v in air). The distribution of photosynthetically active radiation showed almost identical trends for different surface irradiances, namely: a relatively fast drop to a depth of about 250 mu m, (to 5% of the incident), followed by a slower decrease. Light penetrated into the biofilm deeper than the Lambert-Beer Law predicted, which may be attributed to forward scattering of light, thus improving the overall light availability. Oxygen concentration profiles showed maxima at a depth between 50 and 150m, depending on the incident light intensity. A very fast gas exchange was observed at the biofilm surface. The highest oxygen concentration of 3.2mM was measured with 1,000mol photons m(-2) s(-1) and 5% supplementary CO2. Photosynthetic productivity increased with light intensity and/or CO2 concentration and was always highest at the biofilm surface; the stimulating effect of elevated CO2 concentration in the gas phase on photosynthesis was enhanced by higher light intensities. The dissolved inorganic carbon concentration profiles suggest that the availability of the dissolved free CO2 has the strongest impact on photosynthetic productivity. The results suggest that dark respiration could explain previously observed decrease in growth rate over cultivation time in this type of PSBR. Our results represent a basis for understanding the complex dynamics of environmental variables and metabolic processes in artificial phototrophic biofilms exposed to a gas phase and can be used to improve the design and operational parameters of PSBRs. Biotechnol. Bioeng. 2016;113: 1046-1055. (c) 2015 Wiley Periodicals, Inc.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000373476700013	Publication Date	2015-10-24
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0006-3592	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited		Open Access
	Notes				Approved	no
	Call Number	UA @ admin @ c:irua:133255			Serial	8248
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	Author	Ji, G.; Tan, Z.; Lu, Y.; Schryvers, D.; Li, Z.; Zhang, D.
	Title	Heterogeneous interfacial chemical nature and bonds in a W-coated diamond/Al composite			Type	A1 Journal article
	Year	2016	Publication	Materials characterization	Abbreviated Journal	Mater Charact
	Volume	112	Issue	112	Pages	129-133
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	Heterogeneous Al/Al4C3/Al2O3/diamond{111}, Al/nanolayered Al4C3/diamond{111} and Al12W particle/Al4C3/Al2O3/diamond{111} multi-interfaces have been developed at the nanoscale in a W-coated diamond/Al composite produced by vacuum hot pressing. The formation of nanoscale Al4C3 crystals is strongly associated with local O enrichment and can be further promoted by Al12W interfacial particles. The latter effectively contributes to enhance interfacial chemical bonding reducing interfacial thermal resistance and, in turn, enhancing thermal conductivity.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000370109200015	Publication Date	2015-12-18
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1044-5803	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.714	Times cited	7	Open Access
	Notes	This work is financially supported by the FWO project of Belgium (No. U2 FA 070100/3506), the travel funding BQR (No. R8DIV AUE) provided by Université Lille 1, the National Natural Science Foundation of China (Grant No. 51401123) and the China Postdoctoral Science Foundation (Grant No. 2014 M561469) for Dr. Z.Q. Tan. Dr. W.G. Grünewald (LeicaMicrosystems, Germany) is also thanked for the assistance of surface preparation.			Approved	Most recent IF: 2.714
	Call Number	c:irua:129976			Serial	3987
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	Author	Amin-Ahmadi, B.; Connétable, D.; Fivel, M.; Tanguy, D.; Delmelle, R.; Turner, S.; Malet, L.; Godet, S.; Pardoen, T.; Proost, J.; Schryvers, D.; Idrissi, H.
	Title	Dislocation/hydrogen interaction mechanisms in hydrided nanocrystalline palladium films			Type	A1 Journal article
	Year	2016	Publication	Acta materialia	Abbreviated Journal	Acta Mater
	Volume	111	Issue	111	Pages	253-261
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	The nanoscale plasticity mechanisms activated during hydriding cycles in sputtered nanocrystalline Pd films have been investigated ex-situ using advanced transmission electron microscopy techniques. The internal stress developing within the films during hydriding has been monitored in-situ. Results showed that in Pd films hydrided to β-phase, local plasticity was mainly controlled by dislocation activity in spite of the small grain size. Changes of the grain size distribution and the crystallographic texture have not been observed. In contrast, significant microstructural changes were not observed in Pd films hydrided to α-phase. Moreover, the effect of hydrogen loading on the nature and density of dislocations has been investigated using aberration-corrected TEM. Surprisingly, a high density of shear type stacking faults has been observed after dehydriding, indicating a significant effect of hydrogen on the nucleation energy barriers of Shockley partial dislocations. Ab-initio calculations of the effect of hydrogen on the intrinsic stable and unstable stacking fault energies of palladium confirm the experimental observations.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000375812100027	Publication Date	2016-04-06
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1359-6454	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	5.301	Times cited	14	Open Access
	Notes	This work was carried out in the framework of the IAP program of the Belgian State Federal Office for Scientific, Technical and Cultural Affairs, under Contract No. P7/21. The support of the FWO research project G012012N “Understanding nanocrystalline mechanical behaviour from structural investigations” for B. Amin-Ahmadi is also gratefully acknowledged. This work was granted access to the HPC resources of CALMIP (CICT Toulouse, France) under the allocations 2014-p0912 and 2014-p0749.			Approved	Most recent IF: 5.301
	Call Number	c:irua:132678			Serial	4054
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	Author	Lemoine, G.; Delannay, L.; Idrissi, H.; Colla, M.-S.; Pardoen, T.
	Title	Dislocation and back stress dominated viscoplasticity in freestanding sub-micron Pd films			Type	A1 Journal article
	Year	2016	Publication	Acta materialia	Abbreviated Journal	Acta Mater
	Volume	111	Issue	111	Pages	10-21
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	A dislocation-based crystal plasticity model is developed in order to study the mechanical and creep/ relaxation behaviour of polycrystalline metallic thin films. The model accounts for the confinement of plasticity due to grain boundaries and for the anisotropy of individual grains, as well as for the significant viscoplastic effects associated to dislocation dominated thermally activated mechanisms. Numerical predictions are assessed based on experimental tensile test followed by relaxation on freestanding Pd films, based on an on-chip test technique. The dislocation-based mechanism assumption captures all the experimental trends, including the stress strain response, the relaxation behaviour and the dislocation density evolution, confirming the dominance of a dislocation driven deformation mechanism for the present Pd films with high defects density. The model has also been used to address some original experimental evidences involving back stresses, Bauschinger effect, backward creep and strain recovery. (C) 2016 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Oxford	Editor
	Language		Wos	000375812100002	Publication Date	2016-03-26
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1359-6454	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	5.301	Times cited	6	Open Access
	Notes				Approved	Most recent IF: 5.301
	Call Number	UA @ lucian @ c:irua:133636			Serial	4162
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	Author	Balasubramaniam, Y.; Pobedinskas, P.; Janssens, S.D.; Sakr, G.; Jomard, F.; Turner, S.; Lu, Y.G.; Dexters, W.; Soltani, A.; Verbeeck, J.; Barjon, J.; Nesládek, M.; Haenen, K.;
	Title	Thick homoepitaxial (110)-oriented phosphorus-doped n-type diamond			Type	A1 Journal article
	Year	2016	Publication	Applied physics letters	Abbreviated Journal	Appl Phys Lett
	Volume	109	Issue	109	Pages	062105
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	The fabrication of n-type diamond is essential for the realization of electronic components for extreme environments. We report on the growth of a 66 mu m thick homoepitaxial phosphorus-doped diamond on a (110)-oriented diamond substrate, grown at a very high deposition rate of 33 mu m h(-1). A pristine diamond lattice is observed by high resolution transmission electron microscopy, which indicates the growth of high quality diamond. About 2.9 x 10(16) cm(-3) phosphorus atoms are electrically active as substitutional donors, which is 60% of all incorporated dopant atoms. These results indicate that P-doped (110)-oriented diamond films deposited at high growth rates are promising candidates for future use in high-power electronic applications. Published by AIP Publishing.
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000383183600025	Publication Date	2016-08-11
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0003-6951; 1077-3118	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.411	Times cited	20	Open Access
	Notes	This work was financially supported by the EU through the FP7 Collaborative Project “DIAMANT,” the “H2020 Research and Innovation Action Project” “GreenDiamond” (No. 640947), and the Research Foundation-Flanders (FWO) (Nos. G.0C02.15N and VS.024.16N). J.V. acknowledges funding from the “Geconcentreerde Onderzoekacties” (GOA) project “Solarpaint” of the University of Antwerp. The TEM instrument was partly funded by the Hercules fund from the Flemish Government. We particularly thank Dr. J. E. Butler (Naval Research Laboratory, USA) for the sample preparation by laser slicing for TEM analysis, Dr. J. Pernot (Universite Grenoble Alpes/CNRS-Institut Neel, France) for helpful discussions, Ms. C. Vilar (Universite de Versailles St. Quentin en Yvelines, France) for technical help on SEM-CL experiments, and Dr. S. S. Nicley (Hasselt University, Belgium) for improving the language of the text. P.P. and S.T. are Postdoctoral Fellows of the Research Foundation-Flanders (FWO).			Approved	Most recent IF: 3.411
	Call Number	UA @ lucian @ c:irua:137160			Serial	4407
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	Author	Milovanović, S.P.; Peeters, F.M.
	Title	Strain controlled valley filtering in multi-terminal graphene structures			Type	A1 Journal article
	Year	2016	Publication	Applied physics letters	Abbreviated Journal	Appl Phys Lett
	Volume	109	Issue	109	Pages	203108
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Valley-polarized currents can be generated by local straining of multi-terminal graphene devices. The pseudo-magnetic field created by the deformation allows electrons from only one valley to transmit, and a current of electrons from a single valley is generated at the opposite side of the locally strained region. We show that valley filtering is most effective with bumps of a certain height and width. Despite the fact that the highest contribution to the polarized current comes from electrons from the lowest sub-band, contributions of other sub-bands are not negligible and can significantly enhance the output current. Published by AIP Publishing.
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000388000000049	Publication Date	2016-11-16
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0003-6951; 1077-3118	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.411	Times cited	50	Open Access
	Notes	; This work was supported by the Flemish Science Foundation (FWO-Vl) and the European Science Foundation (ESF) under the EUROCORES Program EuroGRAPHENE within the project CONGRAN. ;			Approved	Most recent IF: 3.411
	Call Number	UA @ lucian @ c:irua:139165			Serial	4463
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	Author	Béché, A.; Goris, B.; Freitag, B.; Verbeeck, J.
	Title	Development of a fast electromagnetic beam blanker for compressed sensing in scanning transmission electron microscopy			Type	A1 Journal article
	Year	2016	Publication	Applied physics letters	Abbreviated Journal	Appl Phys Lett
	Volume	108	Issue	108	Pages	093103
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	The concept of compressed sensing was recently proposed to significantly reduce the electron dose in scanning transmission electron microscopy (STEM) while still maintaining the main features in the image. Here, an experimental setup based on an electromagnetic beam blanker placed in the condenser plane of a STEM is proposed. The beam blanker deflects the beam with a random pattern, while the scanning coils are moving the beam in the usual scan pattern. Experimental images at both the medium scale and high resolution are acquired and reconstructed based on a discrete cosine algorithm. The obtained results confirm that compressed sensing is highly attractive to limit beam damage in experimental STEM even though some remaining artifacts need to be resolved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000375329200043	Publication Date	2016-03-01
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0003-6951	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.411	Times cited	40	Open Access
	Notes	A.B and J.V. acknowledge funding from the European Research Council under the 7th Framework Program (FP7), ERC Starting Grant No. 278510 VORTEX and under a contract for an Integrated Infrastructure Initiative (Reference No. 312483 ESTEEM2), from the GOA project SOLARPAINT and the POC project I13/009 from the University of Antwerp. B.G. acknowledges the Research Foundation Flanders (FWO Vlaanderen) for a postdoctoral research grant. The QuAnTem microscope was partially funded by the Hercules Foundation. We thank Zhaoliang Liao from the Mesa+ laboratory at the University of Twente for the perovskite test sample.; esteem2jra3 ECASJO;			Approved	Most recent IF: 3.411
	Call Number	c:irua:131895 c:irua:131895UA @ admin @ c:irua:131895			Serial	4023
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	Author	Agarwal, T.; Sorée, B.; Radu, I.; Raghavan, P.; Fiori, G.; Iannaccone, G.; Thean, A.; Heyns, M.; Dehaene, W.
	Title	Comparison of short-channel effects in monolayer MoS₂ based junctionless and inversion-mode field-effect transistors			Type	A1 Journal article
	Year	2016	Publication	Applied physics letters	Abbreviated Journal	Appl Phys Lett
	Volume	108	Issue	108	Pages	023506
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Conventional junctionless (JL) multi/gate (MuG) field-effect transistors (FETs) require extremely scaled channels to deliver high on-state current with low short-channel effect related leakage. In this letter, using ultra-thin 2D materials (e.g., monolayer MoS2), we present comparison of short-channel effects in JL, and inversion-mode (IM) FETs. We show that JL FETs exhibit better sub-threshold slope (S.S.) and drain-induced-barrier-lowering (DIBL) in comparison to IM FETs due to reduced peak electric field at the junctions. But, threshold voltage (VT) roll-off with channel length downscaling is found to be significantly higher in JL FETs than IM FETs, due to higher source/drain controlled charges (dE/dx) in the channel. Further, we show that although VT roll-off in JL FETs improves by increasing the gate control, i.e., by scaling the oxide, or channel thickness, the sensitivity of threshold voltage on structural parameters is found out to be high. (C) 2016 AIP Publishing LLC.
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000370258400056	Publication Date	2016-01-16
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0003-6951; 1077-3118	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.411	Times cited	13	Open Access
	Notes	; ;			Approved	Most recent IF: 3.411
	Call Number	UA @ lucian @ c:irua:132318			Serial	4152
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	Author	Dhayalan, S.K.; Kujala, J.; Slotte, J.; Pourtois, G.; Simoen, E.; Rosseel, E.; Hikavyy, A.; Shimura, Y.; Iacovo, S.; Stesmans, A.; Loo, R.; Vandervorst, W.;
	Title	On the manifestation of phosphorus-vacancy complexes in epitaxial Si:P films			Type	A1 Journal article
	Year	2016	Publication	Applied physics letters	Abbreviated Journal	Appl Phys Lett
	Volume	108	Issue	108	Pages	082106
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	In situ doped epitaxial Si: P films with P concentrations > 1 x 10(21) at./cm(3) are suitable for source-drain stressors of n-FinFETs. These films combine the advantages of high conductivity derived from the high P doping with the creation of tensile strain in the Si channel. It has been suggested that the tensile strain developed in the Si: P films is due to the presence of local Si3P4 clusters, which however do not contribute to the electrical conductivity. During laser annealing, the Si3P4 clusters are expected to disperse resulting in an increased conductivity while the strain reduces slightly. However, the existence of Si3P4 is not proven. Based on first-principles simulations, we demonstrate that the formation of vacancy centered Si3P4 clusters, in the form of four P atoms bonded to a Si vacancy, is thermodynamically favorable at such high P concentrations. We suggest that during post epi-growth annealing, a fraction of the P atoms from these clusters are activated, while the remaining part goes into interstitial sites, thereby reducing strain. We corroborate our conjecture experimentally using positron annihilation spectroscopy, electron spin resonance, and Rutherford backscattering ion channeling studies. (C) 2016 AIP Publishing LLC.
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000373057000023	Publication Date	2016-02-24
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0003-6951; 1077-3118	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.411	Times cited	9	Open Access
	Notes				Approved	Most recent IF: 3.411
	Call Number	UA @ lucian @ c:irua:133245			Serial	4217
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	Author	Lu, A.K.A.; Pourtois, G.; Agarwal, T.; Afzalian, A.; Radu, I.P.; Houssa, M.
	Title	Origin of the performances degradation of two-dimensional-based metal-oxide-semiconductor field effect transistors in the sub-10 nm regime: A first-principles study			Type	A1 Journal article
	Year	2016	Publication	Applied physics letters	Abbreviated Journal	Appl Phys Lett
	Volume	108	Issue	4	Pages	043504
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	The impact of the scaling of the channel length on the performances of metal-oxide-semiconductor field effect transistors, based on two-dimensional (2D) channel materials, is theoretically investigated, using density functional theory combined with the non-equilibrium Green's function method. It is found that the scaling of the channel length below 10nm leads to strong device performance degradations. Our simulations reveal that this degradation is essentially due to the tunneling current flowing between the source and the drain in these aggressively scaled devices. It is shown that this electron tunneling process is modulated by the effective mass of the 2D channel material, and sets the limit of the scaling in future transistor designs. (C) 2016 AIP Publishing LLC.
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000375217200061	Publication Date	2016-01-26
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0003-6951; 1077-3118	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.411	Times cited	4	Open Access
	Notes				Approved	Most recent IF: 3.411
	Call Number	UA @ lucian @ c:irua:144750			Serial	4677
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	Author	Zhang, F.; Batuk, M.; Hadermann, J.; Manfredi, G.; Mariën, A.; Vanmeensel, K.; Inokoshi, M.; Van Meerbeek, B.; Naert, I.; Vleugels, J.
	Title	Effect of cation dopant radius on the hydrothermal stability of tetragonal zirconia: Grain boundary segregation and oxygen vacancy annihilation			Type	A1 Journal article
	Year	2016	Publication	Acta materialia	Abbreviated Journal	Acta Mater
	Volume	106	Issue	106	Pages	48-58
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	The hydrothermal aging stability of 3Y-TZP-xM2O3 (M = La, Nd, Sc) was investigated as a function of 0.02–5 mol% M2O3 dopant content and correlated to the overall phase content, t-ZrO2 lattice parameters, grain size distribution, grain boundary chemistry and ionic conductivity. The increased aging stability with increasing Sc2O3 content and the optimum content of 0.4–0.6 mol% Nd2O3 or 0.2–0.4 mol% La2O3, resulting in the highest aging resistance, could be directly related to the constituent phases and the lattice parameters of the remaining tetragonal zirconia. At low M2O3 dopant contents ≤0.4 mol%, the different aging behavior of tetragonal zirconia was attributed to the defect structure of the zirconia grain boundary which was influenced by the dopant cation radius. It was observed that the grain boundary ionic resistivity and the aging resistance followed the same trend: La3+ > Nd3+ > Al3+ > Sc3+, proving that hydrothermal aging is driven by the diffusion of water-derived mobile species through the oxygen vacancies. Accordingly, we elucidated the underlying mechanism by which a larger trivalent cation segregating at the zirconia grain boundary resulted in a higher aging resistance.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000371650300006	Publication Date	2016-01-08
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1359-6454	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	5.301	Times cited	37	Open Access
	Notes	The authors acknowledge the Research Fund of KU Leuven under project 0T/10/052 and the Fund for Scientific Research Flanders (FWO-Vlaanderen) under grant G.0431.10N. F. Zhang thanks the Research Fund of KU Leuven for her post-doctoral fellowship (PDM/15/153).			Approved	Most recent IF: 5.301
	Call Number	c:irua:132435			Serial	4076
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	Author	Gong, X.; Marmy, P.; Volodin, A.; Amin-Ahmadi, B.; Qin, L.; Schryvers, D.; Gavrilov, S.; Stergar, E.; Verlinden, B.; Wevers, M.; Seefeldt, M.
	Title	Multiscale investigation of quasi-brittle fracture characteristics in a 9Cr–1Mo ferritic–martensitic steel embrittled by liquid lead–bismuth under low cycle fatigue			Type	A1 Journal article
	Year	2016	Publication	Corrosion science	Abbreviated Journal
	Volume	102	Issue	102	Pages	137-152
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	Liquid metal embrittlement (LME) induced quasi-brittle fracture characteristics of a 9Cr–1Mo ferritic–martensitic steel (T91) after fatigue cracking in lead–bismuth eutectic (LBE) have been investigated at various length scales. The results show that the LME fracture morphology is primarily characterized by quasi-brittle translath flat regions partially covered by nanodimples, shallow secondary cracks propagating along the martensitic lath boundaries as well as tear ridges covered by micro dimples. These diverse LME fracture features likely indicate a LME mechanism involving multiple physical processes, such as weakening induced interatomic decohesion at the crack tip and plastic shearing induced nano/micro voiding in the plastic zone.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000367275700014	Publication Date	2015-10-22
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0010938X	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited	16	Open Access
	Notes	The work is financially supported by the MYRRHA project,SCK•CEN, Belgium and partly funded by the European AtomicEnergy Community’s (Euratom) Seventh Framework ProgrammeFP7/2007-2013 under grant agreement No. 604862 (MatISSEproject) and in the framework of the EERA (European EnergyResearch Alliance) Joint Programme on Nuclear Materials. Dr. TomVan der Donck (KU Leuven) is acknowledged for the EBSD mea-surements. The authors are grateful to Dr. Van Renterghem Wouter(SCK•CEN) for fruitful discussion of the TEM results. Xing Gongsincerely acknowledges valuable suggestions from Dr. S.P. Lynch(Defence Science and Technology Organisation and Monash Uni-versity, Melbourne, Australia).			Approved	Most recent IF: NA
	Call Number	c:irua:129997			Serial	4013
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	Author	Zhang, Q.; De Clippeleir, H.; Su, C.; Al-Omari, A.; Wett, B.; Vlaeminck, S.E.; Murthy, S.
	Title	Deammonification for digester supernatant pretreated with thermal hydrolysis : overcoming inhibition through process optimization			Type	A1 Journal article
	Year	2016	Publication	Applied microbiology and biotechnology	Abbreviated Journal
	Volume	100	Issue	12	Pages	5595-5606
	Keywords	A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
	Abstract	The thermal hydrolysis process (THP) has been proven to be an excellent pretreatment step for an anaerobic digester (AD), increasing biogas yield and decreasing sludge disposal. The goal of this work was to optimize deammonification for efficient nitrogen removal despite the inhibition effects caused by the organics present in the THP-AD sludge filtrate (digestate). Two sequencing batch reactors were studied treating conventional digestate and THP-AD digestate, respectively. Improved process control based on higher dissolved oxygen set-point (1 mg O-2/L) and longer aeration times could achieve successful treatment of THP-AD digestate. This increased set-point could overcome the inhibition effect on aerobic ammonium-oxidizing bacteria (AerAOB), potentially caused by particulate and colloidal organics. Moreover, based on the mass balance, anoxic ammonium-oxidizing bacteria (AnAOB) contribution to the total nitrogen removal decreased from 97 +/- A 1 % for conventional to 72 +/- A 5 % for THP-AD digestate treatment, but remained stable by selective AnAOB retention using a vibrating screen. Overall, similar total nitrogen removal rates of 520 +/- A 28 mg N/L/day at a loading rate of 600 mg N/L/day were achieved in the THP-AD reactor compared to the conventional digestate treatment operating at low dissolved oxygen (DO) (0.38 +/- A 0.10 mg O-2/L).
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000376456700033	Publication Date	2016-02-19
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0175-7598; 1432-0614	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited		Open Access
	Notes				Approved	no
	Call Number	UA @ admin @ c:irua:134166			Serial	7755
Permanent link to this record



	Author	Meerburg, F.A.; Vlaeminck, S.E.; Roume, H.; Seuntjens, D.; Pieper, D.H.; Jauregui, R.; Vilchez-Vargas, R.; Boon, N.
	Title	High-rate activated sludge communities have a distinctly different structure compared to low-rate sludge communities, and are less sensitive towards environmental and operational variables			Type	A1 Journal article
	Year	2016	Publication	Water research	Abbreviated Journal
	Volume	100	Issue		Pages	137-145
	Keywords	A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
	Abstract	High-rate activated sludge processes allow for the recovery of organics and energy from wastewaters. These systems are operated at a short sludge retention time and high sludge-specific loading rates, which results in a higher sludge yield and better digestibility than conventional, low-rate activated sludge. Little is known about the microbial ecology of high-rate systems. In this work, we address the need for a fundamental understanding of how high-rate microbial communities differ from low-rate communities. We investigated the high-rate and low-rate communities in a sewage treatment plant in relation to environmental and operational variables over a period of ten months. We demonstrated that (1) high-rate and low-rate communities are distinctly different in terms of richness, evenness and composition, (2) high-rate community dynamics are more variable and less shaped by deterministic factors compared to low-rate communities, (3) sub-communities of continuously core and transitional members are more shaped by deterministic factors than the continuously rare members, both in high-rate and low-rate communities, and (4) high-rate community members showed a co-occurrence pattern similar to that of low-rate community members, but were less likely to be correlated to environmental and operational variables. These findings provide a basis for further optimization of high-rate systems, in order to facilitate resource recovery from wastewater.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000378448800014	Publication Date	2016-05-08
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0043-1354; 1879-2448	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited		Open Access
	Notes				Approved	no
	Call Number	UA @ admin @ c:irua:139914			Serial	8035
Permanent link to this record



	Author	Horzum, S.; Torun, E.; Serin, T.; Peeters, F.M.
	Title	Structural, electronic and optical properties of Cu-doped ZnO : experimental and theoretical investigation			Type	A1 Journal article
	Year	2016	Publication	Philosophical magazine	Abbreviated Journal	Philos Mag
	Volume	96	Issue	96	Pages	1743-1756
	Keywords	A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
	Abstract	Experiments are supplemented with ab initio density functional theory (DFT) calculations in order to investigate how the structural, electronic and optical properties of zinc oxide (ZnO) thin films are modified upon Cu doping. Changes in characteristic properties of doped thin films, that are deposited on a glass substrate by sol-gel dip coating technique, are monitored using X-ray diffraction (XRD) and UV measurements. Our ab initio calculations show that the electronic structure of ZnO can be well described by DFT+U/G(0)W(0) method and we find that Cu atom substitutional doping in ZnO is the most favourable case. Our XRD measurements reveal that the crystallite size of the films decrease with increasing Cu doping. Moreover, we determine the optical constants such as refractive index, extinction coefficient, optical dielectric function and optical energy band gap values of the films by means of UV-Vis transmittance spectra. The optical band gap of ZnO the thin film linearly decreases from 3.25 to 3.20 eV at 5% doping. In addition, our calculations reveal that the electronic defect states that stem from Cu atoms are not optically active and the optical band gap is determined by the ZnO band edges. Experimentally observed structural and optical results are in good agreement with our theoretical results.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000376076500002	Publication Date	2016-05-07
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1478-6435	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.505	Times cited	29	Open Access
	Notes	; Theoretical part of this work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem foundation of the Flemish government. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure), and HPC infrastructure of the University of Antwerp (CalcUA) a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules foundation. Experimental part of this work was supported by Ankara University BAP under Project Number [14B0443001]. ;			Approved	Most recent IF: 1.505
	Call Number	UA @ lucian @ c:irua:134161			Serial	4254
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	Author	da Costa; Zarenia, M.; Chaves, A.; Pereira, J.M., Jr.; Farias, G.A.; Peeters, F.M.
	Title	Hexagonal-shaped monolayer-bilayer quantum disks in graphene : a tight-binding approach			Type	A1 Journal article
	Year	2016	Publication	Physical review B	Abbreviated Journal	Phys Rev B
	Volume	94	Issue	94	Pages	035415
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Using the tight-binding approach, we investigate confined states in two different hybrid monolayer-bilayer systems: (i) a hexagonal monolayer area surrounded by bilayer graphene in the presence of a perpendicularly applied electric field and (ii) a hexagonal bilayer graphene dot surrounded by monolayer graphene. The dependence of the energy levels on dot size and external magnetic field is calculated. We find that the energy spectrum for quantum dots with zigzag edges consists of states inside the gap which range from dot-localized states, edge states, to mixed states coexisting together, whereas for dots with armchair edges, only dot-localized states are observed.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000379502200008	Publication Date	2016-07-11
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2469-9950;2469-9969;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.836	Times cited	11	Open Access
	Notes	; This work was financially supported by CNPq, under contract NanoBioEstruturas No. 555183/2005-0, PRONEX/FUNCAP, CAPES Foundation, under the process No. BEX 7178/13-1, the Flemish Science Foundation (FWO-Vl), the Bilateral programme between CNPq and FWO-Vl, the Brazilian Program Science Without Borders (CsF), and the Lemann Foundation. ;			Approved	Most recent IF: 3.836
	Call Number	UA @ lucian @ c:irua:134947			Serial	4190
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	Author	Zhao, H.J.; Wu, W.; Zhou, W.; Shi, Z.X.; Misko, V.R.; Peeters, F.M.
	Title	Reentrant dynamics of driven pancake vortices in layered superconductors			Type	A1 Journal article
	Year	2016	Publication	Physical review B	Abbreviated Journal	Phys Rev B
	Volume	94	Issue	94	Pages	024514
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	The dynamics of driven pancake vortices in layered superconductors is studied using molecular-dynamics simulations. We found that, with increasing driving force, for strong interlayer coupling, the preexisted vortex lines either directly depin or first transform to two-dimensional (2D) pinned states before they are depinned, depending on the pinning strength. In a narrow region of pinning strengths, we found an interesting repinning process, which results in a negative differential resistance. For weak interlayer coupling, individually pinned pancake vortices first form disordered 2D flow and then transform to ordered three-dimensional (3D) flow with increasing driving force. However, for extremely strong pinning, the random pinning-induced thermal-like Langevin forces melt 3D vortex lines, which results in a persistent 2D flow in the fast-sliding regime. In the intermediate regime, the peak effect is found: With increasing driving force, the moving pancake vortices first crystallize to moving 3D vortex lines, and then these 3D vortex lines are melted, leading to the appearance of a reentrant 2D flow state. Our results are summarized in a dynamical phase diagram.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000380097800006	Publication Date	2016-07-18
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2469-9950;2469-9969;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.836	Times cited	3	Open Access
	Notes	; We acknowledge useful discussions with C. Olson Reichhardt. This work was supported by the Natural Science Foundation of Jiangsu Province (Grant No. BK20150595), National Natural Science Foundation of China (Grants No. NSFC-U1432135 and No. 11611140101). V.R.M. acknowledges support from the “Odysseus” program of the Flemish Government and Flemish Science Foundation (FWO-Vl), the FWO-Vl, and the Research Fund of the University of Antwerp. ;			Approved	Most recent IF: 3.836
	Call Number	UA @ lucian @ c:irua:134943			Serial	4238
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	Author	Zhang, L.; Fernández Becerra, V.; Covaci, L.; Milošević, M.V.
	Title	Electronic properties of emergent topological defects in chiral p-wave superconductivity			Type	A1 Journal article
	Year	2016	Publication	Physical review B	Abbreviated Journal	Phys Rev B
	Volume	94	Issue	94	Pages	024520
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Chiral p-wave superconductors in applied magnetic field can exhibit more complex topological defects than just conventional superconducting vortices, due to the two-component order parameter (OP) and the broken time-reversal symmetry. We investigate the electronic properties of those exotic states, some of which contain clusters of one-component vortices in chiral components of the OP and/or exhibit skyrmionic character in the relative OP space, all obtained as a self-consistent solution of the microscopic Bogoliubov-de Gennes equations. We reveal the link between the local density of states (LDOS) of the novel topological states and the behavior of the chiral domain wall between the OP components, enabling direct identification of those states in scanning tunneling microscopy. For example, a skyrmion always contains a closed chiral domain wall, which is found to be mapped exactly by zero-bias peaks in LDOS. Moreover, the LDOS exhibits electron-hole asymmetry, which is different from the LDOS of conventional vortex states with same vorticity. Finally, we present the magnetic field and temperature dependence of the properties of a skyrmion, indicating that this topological defect can be surprisingly large in size, and can be pinned by an artificially indented nonsuperconducting closed path in the sample. These features are expected to facilitate the experimental observation of skyrmionic states, thereby enabling experimental verification of chirality in emerging superconducting materials.
	Address
	Corporate Author				Thesis
	Publisher	American Physical Society	Place of Publication	New York, N.Y	Editor
	Language		Wos	000381479500002	Publication Date	2016-07-26
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2469-9969	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.836	Times cited	27	Open Access
	Notes	; This work was supported by the Fonds Wetenschappelijk Onderzoek (FWO). ;			Approved	Most recent IF: 3.836
	Call Number	UA @ lucian @ c:irua:135742			Serial	4303
Permanent link to this record



	Author	Klimin, S.N.; Tempere, J.; Verhelst, N.; Milošević, M.V.
	Title	Finite-temperature vortices in a rotating Fermi gas			Type	A1 Journal article
	Year	2016	Publication	Physical review A	Abbreviated Journal	Phys Rev A
	Volume	94	Issue	94	Pages	023620
	Keywords	A1 Journal article; Theory of quantum systems and complex systems; Condensed Matter Theory (CMT)
	Abstract	Vortices and vortex arrays have been used as a hallmark of superfluidity in rotated, ultracold Fermi gases. These superfluids can be described in terms of an effective field theory for a macroscopic wave function representing the field of condensed pairs, analogous to the Ginzburg-Landau theory for superconductors. Here we establish how rotation modifies this effective field theory, by rederiving it starting from the action of Fermi gas in the rotating frame of reference. The rotation leads to the appearance of an effective vector potential, and the coupling strength of this vector potential to the macroscopic wave function depends on the interaction strength between the fermions, due to a renormalization of the pair effective mass in the effective field theory. The mass renormalization derived here is in agreement with results of functional renormalization-group theory. In the extreme Bose-Einstein condensate regime, the pair effective mass tends to twice the fermion mass, in agreement with the physical picture of a weakly interacting Bose gas of molecular pairs. Then we use our macroscopic-wave-function description to study vortices and the critical rotation frequencies to form them. Equilibrium vortex state diagrams are derived and they are in good agreement with available results of the Bogoliubov-de Gennes theory and with experimental data.
	Address
	Corporate Author				Thesis
	Publisher	American Physical Society	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000381473100001	Publication Date	2016-08-16
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2469-9934	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.925	Times cited	6	Open Access
	Notes	; We are grateful to G. C. Strinati and H. Warringa for valuable discussions. This research was supported by the Flemish Research Foundation Projects No. G.0115.12N, No. G.0119.12N, No. G.0122.12N, and No. G.0429.15N, by the Scientific Research Network of the Flemish Research Foundation, Grant No. WO.033.09N, and by the Research Fund of the University of Antwerp. ;			Approved	Most recent IF: 2.925
	Call Number	UA @ lucian @ c:irua:135686			Serial	4304
Permanent link to this record



	Author	Sisakht, E.T.; Fazileh, F.; Zare, M.H.; Zarenia, M.; Peeters, F.M.
	Title	Strain-induced topological phase transition in phosphorene and in phosphorene nanoribbons			Type	A1 Journal article
	Year	2016	Publication	Physical review B	Abbreviated Journal	Phys Rev B
	Volume	94	Issue	94	Pages	085417
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Using the tight-binding (TB) approximation with inclusion of the spin-orbit interaction, we predict a topological phase transition in the electronic band structure of phosphorene in the presence of axial strains. We derive a low-energy TB Hamiltonian that includes the spin-orbit interaction for bulk phosphorene. Applying a compressive biaxial in-plane strain and perpendicular tensile strain in ranges where the structure is still stable leads to a topological phase transition. We also examine the influence of strain on zigzag phosphorene nanoribbons (zPNRs) and the formation of the corresponding protected edge states when the system is in the topological phase. For zPNRs up to a width of 100 nm the energy gap is at least three orders of magnitude larger than the thermal energy at room temperature.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000381600800004	Publication Date	2016-08-18
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2469-9950;2469-9969;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.836	Times cited	76	Open Access
	Notes	; This work was supported by Ministry of Science, Research and Technology, Iran. M.Z. acknowledges support as a postdoctoral fellow of the Flemish Research Foundation (FWO-Vl). ;			Approved	Most recent IF: 3.836
	Call Number	UA @ lucian @ c:irua:135643			Serial	4309
Permanent link to this record



	Author	Juchtmans, R.; Guzzinati, G.; Verbeeck, J.
	Title	Extension of Friedel's law to vortex-beam diffraction			Type	A1 Journal article
	Year	2016	Publication	Physical Review A	Abbreviated Journal	Phys Rev A
	Volume	94	Issue	94	Pages	033858
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Friedel's law states that the modulus of the Fourier transform of real functions is centrosymmetric, while the phase is antisymmetric. As a consequence of this, elastic scattering of plane-wave photons or electrons within the first-order Born-approximation, as well as Fraunhofer diffraction on any aperture, is bound to result in centrosymmetric diffraction patterns. Friedel's law, however, does not apply for vortex beams, and centrosymmetry in general is not present in their diffraction patterns. In this work we extend Friedel's law for vortex beams by showing that the diffraction patterns of vortex beams with opposite topological charge, scattered on the same two-dimensional potential, always are centrosymmetric to one another, regardless of the symmetry of the scattering object. We verify our statement by means of numerical simulations and experimental data. Our research provides deeper understanding in vortex-beam diffraction and can be used to design new experiments to measure the topological charge of vortex beams with diffraction gratings or to study general vortex-beam diffraction.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000384374500010	Publication Date	2016-09-30
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2469-9926	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.925	Times cited	13	Open Access
	Notes	The authors acknowledge support from the FWO (Aspirant Fonds Wetenschappelijk Onderzoek – Vlaanderen) and the EU under the Seventh Framework Program (FP7) under a contract for an Integrated Infrastructure Initiative, Reference No. 312483-ESTEEM2 and ERC Starting Grant No. 278510 VORTEX.; ECASJO_;			Approved	Most recent IF: 2.925
	Call Number	EMAT @ emat @ c:irua:137200UA @ admin @ c:irua:137200			Serial	4314
Permanent link to this record



	Author	Bekaert, J.; Vercauteren, S.; Aperis, A.; Komendová, L.; Prozorov, R.; Partoens, B.; Milošević, M.V.
	Title	Anisotropic type-I superconductivity and anomalous superfluid density in OsB2			Type	A1 Journal article
	Year	2016	Publication	Physical review B	Abbreviated Journal	Phys Rev B
	Volume	94	Issue	94	Pages	144506
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We present a microscopic study of superconductivity in OsB2 , and discuss the origin and characteristic length scales of the superconducting state. From first-principles we show that OsB2 is characterized by three different Fermi sheets, and we prove that this fermiology complies with recent quantum-oscillation experiments. Using the found microscopic properties, and experimental data from the literature, we employ Ginzburg-Landau relations to reveal that OsB2 is a distinctly type-I superconductor with a very low Ginzburg-Landau parameter κ—a rare property among compound materials. We show that the found coherence length and penetration depth corroborate the measured thermodynamic critical field. Moreover, our calculation of the superconducting gap structure using anisotropic Eliashberg theory and ab initio calculated electron-phonon interaction as input reveals a single but anisotropic gap. The calculated gap spectrum is shown to give an excellent account for the unconventional behavior of the superfluid density of OsB2 measured in experiments as a function of temperature. This reveals that gap anisotropy can explain such behavior, observed in several compounds, which was previously attributed solely to a two-gap nature of superconductivity.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000385622500009	Publication Date	2016-10-12
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2469-9950	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.836	Times cited	19	Open Access
	Notes	Fonds Wetenschappelijk Onderzoek; European Cooperation in Science and Technology, MP1201 ; Vetenskapsrådet;			Approved	Most recent IF: 3.836
	Call Number	CMT @ cmt @ c:irua:139020			Serial	4338
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	Author	De Beule, C.; Ziani, N.T.; Zarenia, M.; Partoens, B.; Trauzettel, B.
	Title	Correlation and current anomalies in helical quantum dots			Type	A1 Journal article
	Year	2016	Publication	Physical review B	Abbreviated Journal	Phys Rev B
	Volume	94	Issue	94	Pages	155111
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We theoretically investigate the ground-state properties of a quantum dot defined on the surface of a strong three-dimensional time-reversal invariant topological insulator. Confinement is realized by ferromagnetic barriers and Coulomb interaction is treated numerically for up to seven electrons in the dot. Experimentally relevant intermediate interaction strengths are considered. The topological origin of the dot has several consequences: (i) spin polarization increases and the ground state exhibits quantum phase transitions at specific angular momenta as a function of interaction strength, (ii) the onset of Wigner correlations takes place mainly in one spin channel, and (iii) the ground state is characterized by a robust persistent current that changes sign as a function of the distance from the center of the dot.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000385242200001	Publication Date	2016-10-07
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2469-9950;2469-9969;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.836	Times cited	3	Open Access
	Notes	; We thank F. Cavaliere, F. Crepin, C. Felser, and B. Yan for interesting discussions, and S. Curreli for performing the finite-element calculation of the magnetic field in COMSOL. C.D.B. and M.Z. are supported by the Flemish Research Foundation (FWO). N.T.Z. and B.T. acknowledge financial support by the DFG (SPP1666 and SFB1170 “ToCoTronics”), the Helmholtz Foundation (VITI), and the ENB Graduate School on “Topological Insulators.” ;			Approved	Most recent IF: 3.836
	Call Number	UA @ lucian @ c:irua:137234			Serial	4351
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	Author	Mirzakhani, M.; Zarenia, M.; da Costa, D.R.; Ketabi, S.A.; Peeters, F.M.
	Title	Energy levels of ABC-stacked trilayer graphene quantum dots with infinite-mass boundary conditions			Type	A1 Journal article
	Year	2016	Publication	Physical review B	Abbreviated Journal	Phys Rev B
	Volume	94	Issue	94	Pages	165423
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Using the continuum model, we investigate the confined states and the corresponding wave functions of ABC-stacked trilayer graphene (TLG) quantum dots (QDs). First, a general infinite-mass boundary condition is derived and applied to calculate the electron and hole energy levels of a circular QD in both the absence and presence of a perpendicular magnetic field. Our analytical results for the energy spectra agree with those obtained by using the tight-binding model, where a TLG QD is surrounded by a staggered potential. Our findings show that (i) the energy spectrum exhibits intervalley symmetry E-K(e)(m) = -E-K'(h)(m) for the electron (e) and hole (h) states, where m is the angular momentum quantum number, (ii) the zero-energy Landau level (LL) is formed by the magnetic states with m <= 0 for both Dirac valleys, that is different from monolayer and bilayer graphene QD with infinite-mass potential in which only one of the cones contributes, and (iii) groups of three quantum Hall edge states in the tight-binding magnetic spectrum approach the zero LL, which results from the layer symmetry in TLG QDs.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000386168000011	Publication Date	2016-10-19
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2469-9950;2469-9969;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.836	Times cited	9	Open Access
	Notes	; This work was supported by the Flemish Science Foundation (FWO-Vl), the Brazilian Council for Research (CNPq), the Science without Borders program, PRONEX/FUNCAP, and CAPES foundation. ;			Approved	Most recent IF: 3.836
	Call Number	UA @ lucian @ c:irua:138174			Serial	4353
Permanent link to this record



	Author	Xiao, Y.M.; Xu, W.; Van Duppen, B.; Peeters, F.M.
	Title	Infrared to terahertz optical conductivity of n-type and p-type monolayer MoS₂ in the presence of Rashba spin-orbit coupling			Type	A1 Journal article
	Year	2016	Publication	Physical review B	Abbreviated Journal	Phys Rev B
	Volume	94	Issue	94	Pages	155432
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We investigate the effect of Rashba spin-orbit coupling (SOC) on the optoelectronic properties of n- and p-type monolayer MoS2. The optical conductivity is calculated within the Kubo formalism. We find that the spin-flip transitions enabled by the Rashba SOC result in a wide absorption window in the optical spectrum. Furthermore, we evaluate the effects of the polarization direction of the radiation, temperature, carrier density, and the strength of the Rashba spin-orbit parameter on the optical conductivity. We find that the position, width, and shape of the absorption peak or absorption window can be tuned by varying these parameters. This study shows that monolayer MoS2 can be a promising tunable optical and optoelectronic material that is active in the infrared to terahertz spectral range.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000386097800003	Publication Date	2016-10-18
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2469-9950;2469-9969;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.836	Times cited	20	Open Access
	Notes	; Y.M.X. acknowledges financial support from the China Scholarship Council (CSC). This work was also supported by the National Natural Science Foundation of China (Grant No. 11574319), Ministry of Science and Technology of China (Grant No. 2011YQ130018), Department of Science and Technology of Yunnan Province, and by the Chinese Academy of Sciences. B.V.D. is supported by a Ph.D. fellowship from the Flemish Science Foundation. ;			Approved	Most recent IF: 3.836
	Call Number	UA @ lucian @ c:irua:138175			Serial	4355
Permanent link to this record



	Author	Yagmurcukardes, M.; Senger, R.T.; Peeters, F.M.; Sahin, H.
	Title	Mechanical properties of monolayer GaS and GaSe crystals			Type	A1 Journal article
	Year	2016	Publication	Physical review B	Abbreviated Journal	Phys Rev B
	Volume	94	Issue	94	Pages	245407
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	The mechanical properties of monolayer GaS and GaSe crystals are investigated in terms of their elastic constants: in-plane stiffness (C), Poisson ratio (nu), and ultimate strength (sigma(U)) by means of first-principles calculations. The calculated elastic constants are compared with those of graphene and monolayer MoS2. Our results indicate that monolayer GaS is a stiffer material than monolayer GaSe crystals due to the more ionic character of the Ga-S bonds than the Ga-Se bonds. Although their Poisson ratio values are very close to each other, 0.26 and 0.25 for GaS and GaSe, respectively, monolayer GaS is a stronger material than monolayer GaSe due to its slightly higher sU value. However, GaS and GaSe crystals are found to be more ductile and flexible materials than graphene and MoS2. We have also analyzed the band-gap response of GaS and GaSe monolayers to biaxial tensile strain and predicted a semiconductor-metal crossover after 17% and 14% applied strain, respectively, for monolayer GaS and GaSe. In addition, we investigated how the mechanical properties are affected by charging. We found that the flexibility of single layer GaS and GaSe displays a sharp increase under 0.1e/cell charging due to the repulsive interactions between extra charges located on chalcogen atoms. These charging-controllable mechanical properties of single layers of GaS and GaSe can be of potential use for electromechanical applications.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000389503400008	Publication Date	2016-12-05
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2469-9950;2469-9969;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.836	Times cited	108	Open Access
	Notes	; Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H.S. acknowledges support from Bilim Akademisi-The Science Academy, Turkey under the BAGEP program. R.T.S. acknowledges the support from TUBITAK through project 114F397. ;			Approved	Most recent IF: 3.836
	Call Number	UA @ lucian @ c:irua:139229			Serial	4356
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	Author	Khoeini, F.; Shakouri; Peeters, F.M.
	Title	Peculiar half-metallic state in zigzag nanoribbons of MoS₂ : spin filtering			Type	A1 Journal article
	Year	2016	Publication	Physical review B	Abbreviated Journal	Phys Rev B
	Volume	94	Issue	94	Pages	125412
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Layered structures of molybdenum disulfide (MoS2) belong to a new class of two-dimensional (2D) semiconductor materials in which monolayers exhibit a direct band gap in their electronic spectrum. This band gap has recently been shown to vanish due to the presence of metallic edge modes when MoS2 monolayers are terminated by zigzag edges on both sides. Here, we demonstrate that a zigzag nanoribbon of MoS2, when exposed to an external exchange field in combination with a transverse electric field, has the potential to exhibit a peculiar half-metallic nature and thereby allows electrons of only one spin direction to move. The peculiarity of such spin-selective conductors originates from a spin switch near the gap-closing region, so the allowed spin orientation can be controlled by means of an external gate voltage. It is shown that the induced half-metallic phase is resistant to random fluctuations of the exchange field as well as the presence of edge vacancies.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000383238800009	Publication Date	2016-09-09
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2469-9950;2469-9969;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.836	Times cited	38	Open Access
	Notes	; ;			Approved	Most recent IF: 3.836
	Call Number	UA @ lucian @ c:irua:137130			Serial	4360
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	Author	Callewaert, V.; Shastry, K.; Saniz, R.; Makkonen, I.; Barbiellini, B.; Assaf, B.A.; Heiman, D.; Moodera, J.S.; Partoens, B.; Bansil, A.; Weiss, A.H.;
	Title	Positron surface state as a spectroscopic probe for characterizing surfaces of topological insulator materials			Type	A1 Journal article
	Year	2016	Publication	Physical review B	Abbreviated Journal	Phys Rev B
	Volume	94	Issue	94	Pages	115411
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Topological insulators are attracting considerable interest due to their potential for technological applications and as platforms for exploring wide-ranging fundamental science questions. In order to exploit, fine-tune, control, and manipulate the topological surface states, spectroscopic tools which can effectively probe their properties are of key importance. Here, we demonstrate that positrons provide a sensitive probe for topological states and that the associated annihilation spectrum provides a technique for characterizing these states. Firm experimental evidence for the existence of a positron surface state near Bi2Te2Se with a binding energy of E-b = 2.7 +/- 0.2 eV is presented and is confirmed by first-principles calculations. Additionally, the simulations predict a significant signal originating from annihilation with the topological surface states and show the feasibility to detect their spin texture through the use of spin-polarized positron beams.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000383232800012	Publication Date	2016-09-06
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2469-9950;2469-9969;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.836	Times cited	15	Open Access
	Notes	; I.M. acknowledges discussions with M. Ervasti and A. Harju. V.C. and R.S. were supported by the FWO-Vlaanderen through Project No. G. 0224.14N. The computational resources and services used in this paper were, in part, provided by the VSC (Flemish Supercomputer Center) and the HPC infrastructure of the University of Antwerp (CalcUA), both funded by the Hercules Foundation and the Flemish Government (EWI Department). I.M. acknowledges financial support from the Academy of Finland (Projects No. 285809 and No. 293932). The work at Northeastern University was supported by the U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences Grant No. DE-FG02-07ER46352 and benefited from Northeastern University's Advanced Scientific Computation Center (ASCC) and the NERSC supercomputing center through DOE Grant No. DE-AC02-05CH11231. K.S. and A.W. acknowledge financial support from the National Science Foundation through Grants No. DMR-MRI-1338130 and No. DMR-1508719. D.H. received financial support from the National Science Foundation (Grant No. ECCS-1402738). J.S.M. was supported by the STC Center for Integrated Quantum Materials under NSF Grants No. DMR-1231319, No. DMR-1207469, and ONR Grant No. N00014-13-1-0301. B.A.A. also acknowledges support from the LabEx ENS-ICFP Grant No. ANR-10-LABX-0010/ANR-10-IDEX-0001-02 PSL. ;			Approved	Most recent IF: 3.836
	Call Number	UA @ lucian @ c:irua:137134			Serial	4362
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	Author	Yagmurcukardes, M.; Torun, E.; Senger, R.T.; Peeters, F.M.; Sahin, H.
	Title	Mg(OH)₂-WS₂ van der Waals heterobilayer : electric field tunable band-gap crossover			Type	A1 Journal article
	Year	2016	Publication	Physical review B	Abbreviated Journal	Phys Rev B
	Volume	94	Issue	94	Pages	195403
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Magnesium hydroxide [Mg(OH)(2)] has a layered brucitelike structure in its bulk form and was recently isolated as a new member of two-dimensional monolayer materials. We investigated the electronic and optical properties of monolayer crystals of Mg(OH)(2) and WS2 and their possible heterobilayer structure by means of first-principles calculations. It was found that both monolayers of Mg(OH)(2) and WS2 are direct-gap semiconductors and these two monolayers form a typical van der Waals heterostructure with a weak interlayer interaction and a type-II band alignment with a staggered gap that spatially separates electrons and holes. We also showed that an out-of-plane electric field induces a transition from a staggered to a straddling-type heterojunction. Moreover, by solving the Bethe-Salpeter equation on top of single-shot G(0)W(0) calculations, we show that the low-energy spectrum of the heterobilayer is dominated by the intralyer excitons of the WS2 monolayer. Because of the staggered interfacial gap and the field-tunable energy-band structure, the Mg(OH)(2)-WS2 heterobilayer can become an important candidate for various optoelectronic device applications in nanoscale.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000386769400007	Publication Date	2016-11-03
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2469-9950;2469-9969;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.836	Times cited	38	Open Access
	Notes	; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem foundation of the Flemish government. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H.S. is supported by a FWOPegasus Long Marie Curie Fellowship. H.S. and R.T.S. acknowledge support from TUBITAK through Project No. 114F397. H.S. acknowledges support from Bilim Akademisi – The Science Academy, Turkey, under the BAGEP program. ;			Approved	Most recent IF: 3.836
	Call Number	UA @ lucian @ c:irua:138205			Serial	4364
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