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	Author	Scalise, E.; Houssa, M.; Pourtois, G.; Afanas'ev, V.V.; Stesmans, A.
	Title	First-principles study of strained 2D MoS₂			Type	A1 Journal article
	Year	2014	Publication	Physica. E: Low-dimensional systems and nanostructures	Abbreviated Journal	Physica E
	Volume	56	Issue		Pages	416-421
	Keywords	A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	The electronic and vibrational properties of 2D honeycomb structures of molybdenum disulfide (MoS2) subjected to strain have been investigated using first-principles calculations based on density functional theory. We have studied the evolution of the electronic properties of bulk and layered MoS2, going down from a few layers up to a mono-layer, and next investigated the effect of bi-axial strain on their electronic structure and vibrational frequencies. Both for tensile and compressive biaxial strains, the shrinking of the energy band-gap of MoS2 with increasing level of applied strain is observed and a transition limit of the system from semiconducting to metallic is predicted to occur for strains in the range of 8-10%. We also found a progressive downshift (upshift) of both the E-2g(1) and A(1g) Raman active modes with increasing level of applied tensile (compressive) strain. Interestingly, significant changes in the curvature of the conduction and valence band near their extrema upon the application of strain are also predicted, with correlated variations of the electron and hole effective masses. These changes present interesting possibilities for engineering the electronic properties of 2D structures of MoS2. (C) 2012 Elsevier B.V. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher	North-Holland	Place of Publication	Amsterdam	Editor
	Language		Wos	000330815800070	Publication Date	2012-08-08
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1386-9477;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.221	Times cited	72	Open Access
	Notes				Approved	Most recent IF: 2.221; 2014 IF: 2.000
	Call Number	UA @ lucian @ c:irua:115761			Serial	1220
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	Author	Boschker, H.; Verbeeck, J.; Egoavil, R.; Bals, S.; Van Tendeloo, G.; Huijben, M.; Houwman, E.P.; Koster, G.; Blank, D.H.A.; Rijnders, G.
	Title	Preventing the reconstruction of the polar discontinuity at oxide heterointerfaces			Type	A1 Journal article
	Year	2012	Publication	Advanced functional materials	Abbreviated Journal	Adv Funct Mater
	Volume	22	Issue	11	Pages	2235-2240
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	Perovskite oxide heteroepitaxy receives much attention because of the possibility to combine the diverse functionalities of perovskite oxide building blocks. A general boundary condition for the epitaxy is the presence of polar discontinuities at heterointerfaces. These polar discontinuities result in reconstructions, often creating new functionalities at the interface. However, for a significant number of materials these reconstructions are unwanted as they alter the intrinsic materials properties at the interface. Therefore, a strategy to eliminate this reconstruction of the polar discontinuity at the interfaces is required. We show that the use of compositional interface engineering can prevent the reconstruction at the La0.67Sr0.33MnO3/SrTiO3 (LSMO/STO) interface. The polar discontinuity at this interface can be removed by the insertion of a single La0.33Sr0.67O layer, resulting in improved interface magnetization and electrical conductivity.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Weinheim	Editor
	Language		Wos	000304749600002	Publication Date	2012-03-23
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1616-301X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	12.124	Times cited	72	Open Access
	Notes	We wish to acknowledge the financial support of the Dutch Science Foundation (NWO) and the Dutch Nanotechnology program NanoNed. S. B. acknowledges the financial support from the European Union under the Framework 6 program under a contract for an Integrated Infrastructure Initiative. Reference 026019 ESTEEM. J. V. and G. V. T. acknowledge funding from the European Research Council under the 7th Framework Program (FP7), ERC grant N246791 – COUNTATOMS. R. E. acknowledges funding by the European Union Council under the 7th Framework Program (FP7) grant NNMP3-LA-2010-246102 IFOX. We thank Sandra Van Aert for stimulating discussions.			Approved	Most recent IF: 12.124; 2012 IF: 9.765
	Call Number	UA @ lucian @ c:irua:98907UA @ admin @ c:irua:98907			Serial	2712
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	Author	Kao, K.-H.; Verhulst, A.S.; Vandenberghe, W.G.; Sorée, B.; Magnus, W.; Leonelli, D.; Groeseneken, G.; De Meyer, K.
	Title	Optimization of gate-on-source-only tunnel FETs with counter-doped pockets			Type	A1 Journal article
	Year	2012	Publication	IEEE transactions on electron devices	Abbreviated Journal	Ieee T Electron Dev
	Volume	59	Issue	8	Pages	2070-2077
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We investigate a promising tunnel FET configuration having a gate on the source only, which is simultaneously exhibiting a steeper subthreshold slope and a higher ON-current than the lateral tunneling configuration with a gate on the channel. Our analysis is performed based on a recently developed 2-D quantum-mechanical simulator calculating band-to-band tunneling and including quantum confinement (QC). It is shown that the two disadvantages of the structure, namely, the sensitivity to gate alignment and the physical oxide thickness, are mitigated by placing a counter-doped parallel pocket underneath the gate-source overlap. The pocket also significantly reduces the field-induced QC. The findings are illustrated with all-Si and all-Ge gate-on-source-only tunnel field-effect transistor simulations.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	New York, N.Y.	Editor
	Language		Wos	000306920200011	Publication Date	2012-06-27
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0018-9383;1557-9646;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.605	Times cited	72	Open Access
	Notes	; Manuscript received February 17, 2012; revised May 7, 2012; accepted May 11, 2012. Date of publication June 26, 2012; date of current version July 19, 2012. This work was supported by the Interuniversity Microelectronics Center's Industrial Affiliation Program. The work of W. G. Vandenberghe was supported by the Institute for the Promotion of Innovation through Science and Technology in Flanders (IWT-Vlaanderen) through a Ph.D. stipend. The review of this paper was arranged by Editor H. S. Momose. ;			Approved	Most recent IF: 2.605; 2012 IF: 2.062
	Call Number	UA @ lucian @ c:irua:100820			Serial	2487
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	Author	Zhang, Z.; Partoens, B.; Chang, K.; Peeters, F.M.
	Title	First-principles study of transition metal impurities in Si			Type	A1 Journal article
	Year	2008	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	77	Issue	15	Pages	155201,1-8
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lancaster, Pa	Editor
	Language		Wos	000255457400057	Publication Date	2008-04-02
	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	72	Open Access
	Notes				Approved	Most recent IF: 3.836; 2008 IF: 3.322
	Call Number	UA @ lucian @ c:irua:68846			Serial	1221
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	Author	Michel, K.H.; Verberck, B.
	Title	Theory of the evolution of phonon spectra and elastic constants from graphene to graphite			Type	A1 Journal article
	Year	2008	Publication	Physical review : B : solid state	Abbreviated Journal	Phys Rev B
	Volume	78	Issue	8	Pages	085424,1-085424,17
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We present a unified theory of the phonon dispersions and elastic properties of graphene, graphite, and graphene multilayer systems. Starting from a fifth-nearest-neighbor force-constant model derived from full in-plane phonon dispersions of graphite [Mohr et al., Phys. Rev. B 76, 035439 (2007)], we use Born's long-wave method to calculate the tension and bending coefficients of graphene. Extending the model by interplanar interactions, we study the phonon dispersions and the elastic constants of graphite, and the phonon spectra of graphene multilayers. We find that the inner displacement terms due to sublattice shifts between inequivalent C atoms are quantitatively important in determining the elastomechanical properties of graphene and of graphite. The overall agreement between theory and experiment is very satisfactory. We investigate the evolution from graphene to graphite by studying the increase in the rigid plane optical mode as a function of the number of layers N. At N=10 the graphite value B2g1127 cm−1 is attained within a few percent.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lancaster, Pa	Editor
	Language		Wos	000259406900106	Publication Date	2008-08-21
	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	72	Open Access
	Notes				Approved	Most recent IF: 3.836; 2008 IF: 3.322
	Call Number	UA @ lucian @ c:irua:76527			Serial	3622
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	Author	Tadić, M.; Peeters, F.M.; Janssens, K.L.
	Title	Effect of isotropic versus anisotropic elasticity on the electronic structure of cylindrical InP/In_0.49Ga_0.51P self-assembled quantum dots			Type	A1 Journal article
	Year	2002	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	65	Issue	16	Pages	165333-13
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	The electronic structure of disk-shaped InP/InGaP self-assembled quantum dots is calculated within the effective-mass theory. The strain-dependent 6x6 multiband Hamiltonian for the valence band is simplified into an axially symmetric form. Both the continuum mechanical model, discretized by finite elements, and the isotropic model are used to calculate the strain distribution and their results are critically compared. The dependence of the electron and the hole energy levels on the dimensions of the quantum dot is investigated. We found that both the electron and hole energies are underestimated if the strain distribution is calculated by the isotropic elasticity theory. The agreement between the electron energies for the two approaches is better for thinner quantum dots. The heavy holes are confined inside the quantum dot, while the light holes are located outside the disk, but confined by the strain field near the edge of the disk periphery. We found that the (h) over bar /2 hole ground state crosses the 3 (h) over bar /2 ground state when the height of the quantum dot increases and becomes the ground state for sufficiently thick quantum disks. The higher hole levels exhibit both crossings between the states of the different parity and anticrossings between the states of the same parity.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000175325000097	Publication Date	2002-07-27
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0163-1829;1095-3795;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.836	Times cited	72	Open Access
	Notes				Approved	Most recent IF: 3.836; 2002 IF: NA
	Call Number	UA @ lucian @ c:irua:103361			Serial	819
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	Author	Bernaerts, D.; Zhang, X.B.; Zhang, X.F.; Amelinckx, S.; Van Tendeloo, G.; van Landuyt, J.; Ivanov, V.; Nagy, J.B.
	Title	Electron microscopy study of coiled carbon tubules			Type	A1 Journal article
	Year	1995	Publication	Philosophical magazine: A: physics of condensed matter: defects and mechanical properties	Abbreviated Journal
	Volume	71	Issue	3	Pages	605-630
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	A1995QQ40400009	Publication Date	2007-07-08
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0141-8610;1460-6992;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited	72	Open Access
	Notes				Approved	no
	Call Number	UA @ lucian @ c:irua:13290			Serial	969
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