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	Author	Clima, S.; Chen, Y.Y.; Chen, C.Y.; Goux, L.; Govoreanu, B.; Degraeve, R.; Fantini, A.; Jurczak, M.; Pourtois, G.
	Title	First-principles thermodynamics and defect kinetics guidelines for engineering a tailored RRAM device			Type	A1 Journal article
	Year	2016	Publication	Journal of applied physics	Abbreviated Journal	J Appl Phys
	Volume	119	Issue	119	Pages	225107
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	Resistive Random Access Memories are among the most promising candidates for the next generation of non-volatile memory. Transition metal oxides such as HfOx and TaOx attracted a lot of attention due to their CMOS compatibility. Furthermore, these materials do not require the inclusion of extrinsic conducting defects since their operation is based on intrinsic ones (oxygen vacancies). Using Density Functional Theory, we evaluated the thermodynamics of the defects formation and the kinetics of diffusion of the conducting species active in transition metal oxide RRAM materials. The gained insights based on the thermodynamics in the Top Electrode, Insulating Matrix and Bottom Electrode and at the interfaces are used to design a proper defect reservoir, which is needed for a low-energy reliable switching device. The defect reservoir has also a direct impact on the retention of the Low Resistance State due to the resulting thermodynamic driving forces. The kinetics of the diffusing conducting defects in the Insulating Matrix determine the switching dynamics and resistance retention. The interface at the Bottom Electrode has a significant impact on the low-current operation and long endurance of the memory cell. Our first-principles findings are confirmed by experimental measurements on fabricated RRAM devices. Published by AIP Publishing.
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000378925400035	Publication Date	2016-06-10
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0021-8979; 1089-7550	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.068	Times cited	17	Open Access
	Notes				Approved	Most recent IF: 2.068
	Call Number	UA @ lucian @ c:irua:134651			Serial	4181
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	Author	Verreck, D.; Verhulst, A.S.; Van de Put, M.; Sorée, B.; Magnus, W.; Mocuta, A.; Collaert, N.; Thean, A.; Groeseneken, G.
	Title	Full-zone spectral envelope function formalism for the optimization of line and point tunnel field-effect transistors			Type	A1 Journal article
	Year	2015	Publication	Journal of applied physics	Abbreviated Journal	J Appl Phys
	Volume	118	Issue	118	Pages	134502
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Efficient quantum mechanical simulation of tunnel field-effect transistors (TFETs) is indispensable to allow for an optimal configuration identification. We therefore present a full-zone 15-band quantum mechanical solver based on the envelope function formalism and employing a spectral method to reduce computational complexity and handle spurious solutions. We demonstrate the versatility of the solver by simulating a 40 nm wide In0.53Ga0.47As lineTFET and comparing it to p-n-i-n configurations with various pocket and body thicknesses. We find that the lineTFET performance is not degraded compared to semi-classical simulations. Furthermore, we show that a suitably optimized p-n-i-n TFET can obtain similar performance to the lineTFET. (C) 2015 AIP Publishing LLC.
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000362668400025	Publication Date	2015-10-01
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0021-8979; 1089-7550	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.068	Times cited	9	Open Access
	Notes	; D. Verreck acknowledges the support of a Ph.D. stipend from the Institute for the Promotion of Innovation through Science and Technology in Flanders (IWT-Vlaanderen). This work was supported by imec's Industrial Affiliation Program. ;			Approved	Most recent IF: 2.068; 2015 IF: 2.183
	Call Number	UA @ lucian @ c:irua:128765			Serial	4183
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	Author	Van de Put, M.L.; Vandenberghe, W.G.; Sorée, B.; Magnus, W.; Fischetti, M.V.
	Title	Inter-ribbon tunneling in graphene: An atomistic Bardeen approach			Type	A1 Journal article
	Year	2016	Publication	Journal of applied physics	Abbreviated Journal	J Appl Phys
	Volume	119	Issue	119	Pages	214306
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	A weakly coupled system of two crossed graphene nanoribbons exhibits direct tunneling due to the overlap of the wavefunctions of both ribbons. We apply the Bardeen transfer Hamiltonian formalism, using atomistic band structure calculations to account for the effect of the atomic structure on the tunneling process. The strong quantum-size confinement of the nanoribbons is mirrored by the one-dimensional character of the electronic structure, resulting in properties that differ significantly from the case of inter-layer tunneling, where tunneling occurs between bulk two-dimensional graphene sheets. The current-voltage characteristics of the inter-ribbon tunneling structures exhibit resonance, as well as stepwise increases in current. Both features are caused by the energetic alignment of one-dimensional peaks in the density-of-states of the ribbons. Resonant tunneling occurs if the sign of the curvature of the coupled energy bands is equal, whereas a step-like increase in the current occurs if the signs are opposite. Changing the doping modulates the onset-voltage of the effects as well as their magnitude. Doping through electrostatic gating makes these structures promising for application towards steep slope switching devices. Using the atomistic empirical pseudopotentials based Bardeen transfer Hamiltonian method, inter-ribbon tunneling can be studied for the whole range of two-dimensional materials, such as transition metal dichalcogenides. The effects of resonance and of step-like increases in the current we observe in graphene ribbons are also expected in ribbons made from these alternative two-dimensional materials, because these effects are manifestations of the one-dimensional character of the density-of-states. Published by AIP Publishing.
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000378923100022	Publication Date	2016-06-07
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0021-8979; 1089-7550	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.068	Times cited	6	Open Access
	Notes	; ;			Approved	Most recent IF: 2.068
	Call Number	UA @ lucian @ c:irua:134652			Serial	4198
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	Author	Moors, K.; Sorée, B.; Magnus, W.
	Title	Modeling surface roughness scattering in metallic nanowires			Type	A1 Journal article
	Year	2015	Publication	Journal of applied physics	Abbreviated Journal	J Appl Phys
	Volume	118	Issue	118	Pages	124307
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Ando's model provides a rigorous quantum-mechanical framework for electron-surface roughness scattering, based on the detailed roughness structure. We apply this method to metallic nanowires and improve the model introducing surface roughness distribution functions on a finite domain with analytical expressions for the average surface roughness matrix elements. This approach is valid for any roughness size and extends beyond the commonly used Prange-Nee approximation. The resistivity scaling is obtained from the self-consistent relaxation time solution of the Boltzmann transport equation and is compared to Prange-Nee's approach and other known methods. The results show that a substantial drop in resistivity can be obtained for certain diameters by achieving a large momentum gap between Fermi level states with positive and negative momentum in the transport direction. (C) 2015 AIP Publishing LLC.
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000362565800032	Publication Date	2015-09-24
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0021-8979; 1089-7550	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; 2015 IF: 2.183
	Call Number	UA @ lucian @ c:irua:129425			Serial	4207
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	Author	Yagmurcukardes, M.; Sahin, H.; Kang, J.; Torun, E.; Peeters, F.M.; Senger, R.T.
	Title	Pentagonal monolayer crystals of carbon, boron nitride, and silver azide			Type	A1 Journal article
	Year	2015	Publication	Journal of applied physics	Abbreviated Journal	J Appl Phys
	Volume	118	Issue	118	Pages	104303
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	In this study, we present a theoretical investigation of structural, electronic, and mechanical properties of pentagonal monolayers of carbon (p-graphene), boron nitride (p-B2N4 and p-B4N2), and silver azide (p-AgN3) by performing state-of-the-art first principles calculations. Our total energy calculations suggest feasible formation of monolayer crystal structures composed entirely of pentagons. In addition, electronic band dispersion calculations indicate that while p-graphene and p-AgN3 are semiconductors with indirect bandgaps, p-BN structures display metallic behavior. We also investigate the mechanical properties (in-plane stiffness and the Poisson's ratio) of four different pentagonal structures under uniaxial strain. p-graphene is found to have the highest stiffness value and the corresponding Poisson's ratio is found to be negative. Similarly, p-B2N4 and p-B4N2 have negative Poisson's ratio values. On the other hand, the p-AgN3 has a large and positive Poisson's ratio. In dynamical stability tests based on calculated phonon spectra of these pentagonal monolayers, we find that only p-graphene and p-B2N4 are stable, but p-AgN3 and p-B4N2 are vulnerable against vibrational excitations.
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000361636900028	Publication Date	2015-09-08
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0021-8979; 1089-7550	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.068	Times cited	79	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. was supported by a FWO Pegasus Long Marie Curie Fellowship. H.S. and R.T.S. acknowledge the support from TUBITAK through Project No. 114F397. ;			Approved	Most recent IF: 2.068; 2015 IF: 2.183
	Call Number	UA @ lucian @ c:irua:128415			Serial	4223
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	Author	de Sousa, A.A.; Chaves, A.; Pereira, T.A.S.; Farias, G.A.; Peeters, F.M.
	Title	Quantum tunneling between bent semiconductor nanowires			Type	A1 Journal article
	Year	2015	Publication	Journal of applied physics	Abbreviated Journal	J Appl Phys
	Volume	118	Issue	118	Pages	174301
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We theoretically investigate the electronic transport properties of two closely spaced L-shaped semiconductor quantum wires, for different configurations of the output channel widths as well as the distance between the wires. Within the effective-mass approximation, we solve the time-dependent Schrodinger equation using the split-operator technique that allows us to calculate the transmission probability, the total probability current, the conductance, and the wave function scattering between the energy subbands. We determine the maximum distance between the quantum wires below which a relevant non-zero transmission is still found. The transmission probability and the conductance show a strong dependence on the width of the output channel for small distances between the wires. (C) 2015 AIP Publishing LLC.
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000364584200020	Publication Date	2015-11-02
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0021-8979; 1089-7550	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.068	Times cited	7	Open Access
	Notes	; A. A. Sousa was financially supported by CAPES, under the PDSE Contract No. BEX 7177/13-5. T. A. S. Pereira was financially supported by PRONEX/CNPq/FAPEMAT 850109/2009 and by CAPES under process BEX 3299/13-9. This work was financially supported by PRONEX/CNPq/FUNCAP, the Science Without Borders program and the bilateral project CNPq-FWO. ;			Approved	Most recent IF: 2.068; 2015 IF: 2.183
	Call Number	UA @ lucian @ c:irua:129544			Serial	4234
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	Author	Andrikopoulos, D.; Sorée, B.; De Boeck, J.
	Title	Skyrmion-induced bound states on the surface of three-dimensional topological insulators			Type	A1 Journal article
	Year	2016	Publication	Journal of applied physics	Abbreviated Journal	J Appl Phys
	Volume	119	Issue	119	Pages	193903
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	The interaction between the surface of a 3D topological insulator and a skyrmion/anti-skyrmion structure is studied in order to investigate the possibility of electron confinement due to the skyrmion presence. Both hedgehog (Neel) and vortex (Bloch) skyrmions are considered. For the hedgehog skyrmion, the in-plane components cannot be disregarded and their interaction with the surface state of the topological insulator (TI) has to be taken into account. A semi-classical description of the skyrmion chiral angle is obtained using the variational principle. It is shown that both the hedgehog and the vortex skyrmion can induce bound states on the surface of the TI. However, the number and the properties of these states depend strongly on the skyrmion type and the skyrmion topological number N-Sk. The probability densities of the bound electrons are also derived where it is shown that they are localized within the skyrmion region. Published by AIP Publishing.
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000377718100013	Publication Date	2016-05-18
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0021-8979; 1089-7550	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.068	Times cited	8	Open Access
	Notes	; ;			Approved	Most recent IF: 2.068
	Call Number	UA @ lucian @ c:irua:134607			Serial	4244
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	Author	Frota, D.A.; Chaves, A.; Ferreira, W.P.; Farias, G.A.; Milošević, M.V.
	Title	Superconductor-ferromagnet bilayer under external drive : the role of vortex-antivortex matter			Type	A1 Journal article
	Year	2016	Publication	Journal of applied physics	Abbreviated Journal	J Appl Phys
	Volume	119	Issue	119	Pages	093912
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Using advanced Ginzburg-Landau simulations, we study the superconducting state of a thin superconducting film under a ferromagnetic layer, separated by an insulating oxide, in applied external magnetic field and electric current. The taken uniaxial ferromagnet is organized into a series of parallel domains with alternating polarization of out-of-plane magnetization, sufficiently strong to induce vortex-antivortex pairs in the underlying superconductor in absence of other magnetic field. We show the organization of such vortex-antivortex matter into rich configurations, some of which are not matching the periodicity of the ferromagnetic film. The variety of possible configurations is enhanced by applied homogeneous magnetic field, where additional vortices in the superconductor may lower the energy of the system by either annihilating the present antivortices under negative ferromagnetic domains or by lowering their own energy after positioning under positive ferromagnetic domains. As a consequence, both the vortex-antivortex reordering in increasing external field and the evolution of the energy of the system are highly nontrivial. Finally, we reveal the very interesting effects of applied dc electric current on the vortex-antivortex configurations, since resulting Lorentzian force has opposite direction for vortices and antivortices, while direction of the applied current with respect to ferromagnetic domains is of crucial importance for the interaction of the applied and the Meissner current, as well as the consequent vortex-antivortex dynamics-both of which are reflected in the anisotropic critical current of the system. (C) 2016 AIP Publishing LLC.
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000372351900018	Publication Date	2016-03-07
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0021-8979; 1089-7550	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.068	Times cited	4	Open Access
	Notes	; This work was supported by the Brazilian agencies CNPq, PRONEX/FUNCAP, and CAPES, and the Research Foundation-Flanders (FWO). ;			Approved	Most recent IF: 2.068
	Call Number	UA @ lucian @ c:irua:133200			Serial	4255
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	Author	Fatima; Oguz, I.C.; Çakir, D.; Hossain, S.; Mohottige, R.; Gulseren, O.; Oncel, N.
	Title	On the structural and electronic properties of Ir-silicide nanowires on Si(001) surface			Type	A1 Journal article
	Year	2016	Publication	Journal of applied physics	Abbreviated Journal	J Appl Phys
	Volume	120	Issue	120	Pages	095303
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Iridium (Ir) modified Silicon (Si) (001) surface is studied with Scanning Tunneling Microscopy/Spectroscopy (STM/STS) and Density Functional Theory (DFT). A model for Ir-silicide nanowires based on STM images and ab-initio calculations is proposed. According to our model, the Ir adatom is on the top of the substrate dimer row and directly binds to the dimer atoms. I-V curves measured at 77K shows that the nanowires are metallic. DFT calculations confirm strong metallic nature of the nanowires. Published by AIP Publishing.
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000383978100030	Publication Date	2016-09-01
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0021-8979; 1089-7550	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.068	Times cited	7	Open Access
	Notes	; We gratefully acknowledge the NSF (Grant No. DMR-1306101) for financial support. 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. ;			Approved	Most recent IF: 2.068
	Call Number	UA @ lucian @ c:irua:137132			Serial	4359
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	Author	Mohammed, M.; Verhulst, A.S.; Verreck, D.; Van de Put, M.; Simoen, E.; Sorée, B.; Kaczer, B.; Degraeve, R.; Mocuta, A.; Collaert, N.; Thean, A.; Groeseneken, G.
	Title	Electric-field induced quantum broadening of the characteristic energy level of traps in semiconductors and oxides			Type	A1 Journal article
	Year	2016	Publication	Journal of applied physics	Abbreviated Journal	J Appl Phys
	Volume	120	Issue	120	Pages	245704
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	The trap-assisted tunneling (TAT) current in tunnel field-effect transistors (TFETs) is one of the crucial factors degrading the sub-60 mV/dec sub-threshold swing. To correctly predict the TAT currents, an accurate description of the trap is required. Since electric fields in TFETs typically reach beyond 10(6) V/cm, there is a need to quantify the impact of such high field on the traps. We use a quantum mechanical implementation based on the modified transfer matrix method to obtain the trap energy level. We present the qualitative impact of electric field on different trap configurations, locations, and host materials, including both semiconductors and oxides. We determine that there is an electric-field related trap level shift and level broadening. We find that these electric-field induced quantum effects can enhance the trap emission rates. Published by AIP Publishing.
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000392174000028	Publication Date	2016-12-26
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0021-8979; 1089-7550	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.068	Times cited	6	Open Access
	Notes	; This work was supported by imec's Industrial Affiliation Program. D. Verreck acknowledges the support of a PhD stipend from IWT-Vlaanderen. ;			Approved	Most recent IF: 2.068
	Call Number	UA @ lucian @ c:irua:141481			Serial	4593
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	Author	Torun, E.; Sahin, H.; Cahangirov, S.; Rubio, A.; Peeters, F.M.
	Title	Anisotropic electronic, mechanical, and optical properties of monolayer WTe2			Type	A1 Journal article
	Year	2016	Publication	Journal of applied physics	Abbreviated Journal	J Appl Phys
	Volume	119	Issue	7	Pages	074307
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Using first-principles calculations, we investigate the electronic, mechanical, and optical properties of monolayer WTe2. Atomic structure and ground state properties of monolayer WTe2 (T-d phase) are anisotropic which are in contrast to similar monolayer crystals of transition metal dichalcogenides, such as MoS2, WS2, MoSe2, WSe2, and MoTe2, which crystallize in the H-phase. We find that the Poisson ratio and the in-plane stiffness is direction dependent due to the symmetry breaking induced by the dimerization of the W atoms along one of the lattice directions of the compound. Since the semimetallic behavior of the T-d phase originates from this W-W interaction (along the a crystallographic direction), tensile strain along the dimer direction leads to a semimetal to semiconductor transition after 1% strain. By solving the Bethe-Salpeter equation on top of single shot G(0)W(0) calculations, we predict that the absorption spectrum of T-d-WTe2 monolayer is strongly direction dependent and tunable by tensile strain. (C) 2016 AIP Publishing LLC.
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000375158000022	Publication Date	2016-02-19
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0021-8979; 1089-7550	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.068	Times cited	62	Open Access
	Notes	; This work was supported by the Flemish Science Foundation (FWO-V1) 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. was supported by a FWO Pegasus Long Marie Curie Fellowship. S.C. and A.R. acknowledge the financial support from the Marie Curie grant FP7-PEOPLE-2013-IEF Project No. 628876, European Research Council (ERC-2010-AdG-267374), Spanish grant (FIS2013-46159-C3-1-P), Grupos Consolidados (IT578-13), and AFOSR Grant No. FA2386-15-1-0006 AOARD 144088, H2020-NMP-2014 project MOSTOPHOS, GA No. SEP-210187476, and COST Action MP1306 (EUSpec). S.C. acknowledges the support from The Scientific and Technological Research Council of Turkey (TUBITAK) under Project No. 115F388. ;			Approved	Most recent IF: 2.068
	Call Number	UA @ lucian @ c:irua:144747			Serial	4640
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	Author	Berdiyorov, G.R.; Mortazavi, B.; Ahzi, S.; Peeters, F.M.; Khraisheh, M.K.
	Title	Effect of straining graphene on nanopore creation using Si cluster bombardment: A reactive atomistic investigation			Type	A1 Journal article
	Year	2016	Publication	Journal of applied physics	Abbreviated Journal	J Appl Phys
	Volume	120	Issue	120	Pages	225108
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Graphene nanosheets have recently received a revival of interest as a new class of ultrathin, high-flux, and energy-efficient sieving membranes because of their unique two-dimensional and atomically thin structure, good flexibility, and outstanding mechanical properties. However, for practical applications of graphene for advanced water purification and desalination technologies, the creation of well controlled, high-density, and subnanometer diameter pores becomes a key factor. Here, we conduct reactive force-field molecular dynamics simulations to study the effect of external strain on nanopore creation in the suspended graphene by bombardment with Si clusters. Depending on the size and energy of the clusters, different kinds of topography were observed in the graphene sheet. In all the considered conditions, tensile strain results in the creation of nanopores with regular shape and smooth edges. On the contrary, compressive strain increases the elastic response of graphene to irradiation that leads to the formation of net-like defective structures with predominantly carbon atom chains. Our findings show the possibility of creating controlled nanopores in strained graphene by bombardment with Si clusters. Published by AIP Publishing.
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000391535900022	Publication Date	2016-12-15
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0021-8979; 1089-7550	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.068	Times cited	10	Open Access
	Notes	; ;			Approved	Most recent IF: 2.068
	Call Number	UA @ lucian @ c:irua:141451			Serial	4554
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	Author	Dutta, S.; Sankaran, K.; Moors, K.; Pourtois, G.; Van Elshocht, S.; Bommels, J.; Vandervorst, W.; Tokei, Z.; Adelmann, C.
	Title	Thickness dependence of the resistivity of platinum-group metal thin films			Type	A1 Journal article
	Year	2017	Publication	Journal of applied physics	Abbreviated Journal	J Appl Phys
	Volume	122	Issue	2	Pages	025107
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	We report on the thin film resistivity of several platinum-group metals (Ru, Pd, Ir, and Pt). Platinum-group thin films show comparable or lower resistivities than Cu for film thicknesses below about 5 nm due to a weaker thickness dependence of the resistivity. Based on experimentally determined mean linear distances between grain boundaries as well as ab initio calculations of the electron mean free path, the data for Ru, Ir, and Cu were modeled within the semiclassical Mayadas-Shatzkes model [Phys. Rev. B 1, 1382 (1970)] to assess the combined contributions of surface and grain boundary scattering to the resistivity. For Ru, the modeling results indicated that surface scattering was strongly dependent on the surrounding material with nearly specular scattering at interfaces with SiO2 or air but with diffuse scattering at interfaces with TaN. The dependence of the thin film resistivity on the mean free path is also discussed within the Mayadas-Shatzkes model in consideration of the experimental findings. Published by AIP Publishing.
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000405663800038	Publication Date	2017-07-11
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0021-8979; 1089-7550	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.068	Times cited	42	Open Access	Not_Open_Access
	Notes				Approved	Most recent IF: 2.068
	Call Number	UA @ lucian @ c:irua:145213			Serial	4729
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	Author	Geenen, F.A.; van Stiphout, K.; Nanakoudis, A.; Bals, S.; Vantomme, A.; Jordan-Sweet, J.; Lavoie, C.; Detavernier, C.
	Title	Controlling the formation and stability of ultra-thin nickel silicides : an alloying strategy for preventing agglomeration			Type	A1 Journal article
	Year	2018	Publication	Journal of applied physics	Abbreviated Journal	J Appl Phys
	Volume	123	Issue	123	Pages	075303
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	The electrical contact of the source and drain regions in state-of-the-art CMOS transistors is nowadays facilitated through NiSi, which is often alloyed with Pt in order to avoid morphological agglomeration of the silicide film. However, the solid-state reaction between as-deposited Ni and the Si substrate exhibits a peculiar change for as-deposited Ni films thinner than a critical thickness of t(c) = 5 nm. Whereas thicker films form polycrystalline NiSi upon annealing above 450 degrees C, thinner films form epitaxial NiSi2 films that exhibit a high resistance toward agglomeration. For industrial applications, it is therefore of utmost importance to assess the critical thickness with high certainty and find novel methodologies to either increase or decrease its value, depending on the aimed silicide formation. This paper investigates Ni films between 0 and 15 nm initial thickness by use of “thickness gradients,” which provide semi-continuous information on silicide formation and stability as a function of as-deposited layer thickness. The alloying of these Ni layers with 10% Al, Co, Ge, Pd, or Pt renders a significant change in the phase sequence as a function of thickness and dependent on the alloying element. The addition of these ternary impurities therefore changes the critical thickness t(c). The results are discussed in the framework of classical nucleation theory. Published by AIP Publishing.
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000425807400018	Publication Date	2018-02-21
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0021-8979; 1089-7550	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.068	Times cited	23	Open Access	OpenAccess
	Notes	; The authors acknowledge the FWO Vlaanderen, the Hercules Foundation, and BOF-UGent (GOA 01G01513) for providing financial support for this work. This research used resources of the National Synchrotron Light Source, a U.S. Department of Energy (DOE) Office of Science User Facility operated for the DOE Office of Science by Brookhaven National Laboratory under Contract No. DE-AC02-98CH10886. ;			Approved	Most recent IF: 2.068
	Call Number	UA @ lucian @ c:irua:149912UA @ admin @ c:irua:149912			Serial	4929
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	Author	Mirzakhani, M.; Zarenia, M.; Peeters, F.M.
	Title	Edge states in gated bilayer-monolayer graphene ribbons and bilayer domain walls			Type	A1 Journal article
	Year	2018	Publication	Journal of applied physics	Abbreviated Journal	J Appl Phys
	Volume	123	Issue	20	Pages	204301
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Using the effective continuum model, the electron energy spectrum of gated bilayer graphene with a step-like region of decoupled graphene layers at the edge of the sample is studied. Different types of coupled-decoupled interfaces are considered, i.e., zigzag (ZZ) and armchair junctions, which result in significant different propagating states. Two non-valley-polarized conducting edge states are observed for ZZ type, which are mainly located around the ZZ-ended graphene layers. Additionally, we investigated both BA-BA and BA-AB domain walls in the gated bilayer graphene within the continuum approximation. Unlike the BA-BA domain wall, which exhibits gapped insulating behaviour, the domain walls surrounded by different stackings of bilayer regions feature valley-polarized edge states. Our findings are consistent with other theoretical calculations, such as from the tight-binding model and first-principles calculations, and agree with experimental observations. Published by AIP Publishing.
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000433977200017	Publication Date	2018-05-23
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0021-8979; 1089-7550	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.068	Times cited	3	Open Access
	Notes	; This work was supported by the Flemish Science Foundation (FWO), the BOF-UA (Bijzonder Onderzoeks Fonds), the Methusalem program of the Flemish Government, and Iran Nanotechnology Initiative Council (INIC). ;			Approved	Most recent IF: 2.068
	Call Number	UA @ lucian @ c:irua:152044UA @ admin @ c:irua:152044			Serial	5020
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	Author	Chen, Q.; Wang, W.; Peeters, F.M.
	Title	Magneto-polarons in monolayer transition-metal dichalcogenides			Type	A1 Journal article
	Year	2018	Publication	Journal of applied physics	Abbreviated Journal	J Appl Phys
	Volume	123	Issue	21	Pages	214303
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Landau levels (LLs) are modified by the Frohlich interaction which we investigate within the improved Wigner-Brillouin theory for energies both below and above the longitudinal-optical-continuum in monolayer MoS2.., WS2, MoSe2, and WSe2. Polaron corrections to the LLs are enhanced in monolayer MoS2 as compared to WS2. A series of levels are found at h omega(LO) + lh omega(c), and in addition, the Frohlich interaction lifts the degeneracy between the levels nh omega(c) and h omega(LO) + lh omega(c) resulting in an anticrossing. The screening effect due to the environment plays an important role in the polaron energy corrections, which are also affected by the effective thickness r(eff) parameter. The polaron anticrossing energy gap E-gap decreases with increasing effective thickness r(eff). Published by AIP Publishing.
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000434775500014	Publication Date	2018-06-05
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0021-8979; 1089-7550	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.068	Times cited	19	Open Access
	Notes	; Q. Chen and W. Wang acknowledge the financial support from the China Scholarship Council (CSC). This work was also supported by Hunan Provincial Natural Science Foundation of China (Grant No. 2015JJ2040), by the Scientific Research Fund of Hunan Provincial Education Department (Grant No. 15A042), and by the National Natural Science Foundation of China (Grant No. 11404214). ;			Approved	Most recent IF: 2.068
	Call Number	UA @ lucian @ c:irua:151985UA @ admin @ c:irua:151985			Serial	5031
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	Author	Saberi-Pouya, S.; Vazifehshenas, T.; Saleh, M.; Farmanbar, M.; Salavati-fard, T.
	Title	Plasmon modes in monolayer and double-layer black phosphorus under applied uniaxial strain			Type	A1 Journal article
	Year	2018	Publication	Journal of applied physics	Abbreviated Journal	J Appl Phys
	Volume	123	Issue	17	Pages	174301
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We study the effects of an applied in-plane uniaxial strain on the plasmon dispersions of monolayer, bilayer, and double-layer black phosphorus structures in the long-wavelength limit within the linear elasticity theory. In the low-energy limit, these effects can be modeled through the change in the curvature of the anisotropic energy band along the armchair and zigzag directions. We derive analytical relations of the plasmon modes under uniaxial strain and show that the direction of the applied strain is important. Moreover, we observe that along the armchair direction, the changes of the plasmon dispersion with strain are different and larger than those along the zigzag direction. Using the analytical relations of two-layer phosphorene systems, we found that the strain-dependent orientation factor of layers could be considered as a means to control the variations of the plasmon energy. Furthermore, our study shows that the plasmonic collective modes are more affected when the strain is applied equally to the layers compared to the case in which the strain is applied asymmetrically to the layers. We also calculate the effect of strain on the drag resistivity in a double-layer black phosphorus structure and obtain that the changes in the plasmonic excitations, due to an applied strain, are mainly responsible for the predicted results. This study can be readily extended to other anisotropic two-dimensional materials. Published by AIP Publishing.
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000431651600014	Publication Date	2018-05-01
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0021-8979; 1089-7550	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.068	Times cited	4	Open Access
	Notes	; ;			Approved	Most recent IF: 2.068
	Call Number	UA @ lucian @ c:irua:151522UA @ admin @ c:irua:151522			Serial	5037
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	Author	Beckers, A.; Thewissen, M.; Sorée, B.
	Title	Energy filtering in silicon nanowires and nanosheets using a geometric superlattice and its use for steep-slope transistors			Type	A1 Journal article
	Year	2018	Publication	Journal of applied physics	Abbreviated Journal	J Appl Phys
	Volume	124	Issue	14	Pages	144304
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	This paper investigates energy filtering in silicon nanowires and nanosheets by resonant electron tunneling through a geometric superlattice. A geometric superlattice is any kind of periodic geometric feature along the transport direction of the nanowire or nanosheet. Multivalley quantum-transport simulations are used to demonstrate the manifestation of minibands and minibandgaps in the transmission spectra of such a superlattice. We find that the presence of different valleys in the conduction band of silicon favors a nanowire with a rectangular cross section for effective energy filtering. The obtained energy filter can consequently be used in the source extension of a field-effect transistor to prevent high-energy electrons from contributing to the leakage current. Self-consistent Schrodinger-Poisson simulations in the ballistic limit show minimum subthreshold swings of 6 mV/decade for geometric superlattices with indentations. The obtained theoretical performance metrics for the simulated devices are compared with conventional III-V superlatticeFETs and TunnelFETs. The adaptation of the quantum transmitting boundary method to the finite-element simulation of 3-D structures with anisotropic effective mass is presented in Appendixes A and B. Our results bare relevance in the search for steep-slope transistor alternatives which are compatible with the silicon industry and can overcome the power-consumption bottleneck inherent to standard CMOS technologies. Published by AIP Publishing.
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000447148100011	Publication Date	2018-10-11
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0021-8979; 1089-7550	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.068	Times cited	3	Open Access
	Notes	; ;			Approved	Most recent IF: 2.068
	Call Number	UA @ lucian @ c:irua:154729UA @ admin @ c:irua:154729			Serial	5099
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