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  Author Title Year Publication Volume Times cited Additional Links (down) Links
Scarrozza, M.; Pourtois, G.; Houssa, M.; Heyns, M.; Stesmans, A. Oxidation of the GaAs(001) surface : insights from first-principles calculations 2012 Physical review : B : condensed matter and materials physics 85 15 UA library record; WoS full record; WoS citing articles url doi
Neyts, E.C.; Thijsse, B.J.; Mees, M.J.; Bal, K.M.; Pourtois, G. Establishing uniform acceptance in force biased Monte Carlo simulations 2012 Journal of chemical theory and computation 8 20 UA library record; WoS full record; WoS citing articles doi
Khalilov, U.; Pourtois, G.; van Duin, A.C.T.; Neyts, E.C. Self-limiting oxidation in small-diameter Si nanowires 2012 Chemistry of materials 24 45 UA library record; WoS full record; WoS citing articles doi
Chen, Y.Y.; Pourtois, G.; Adelmann, C.; Goux, L.; Govoreanu, B.; Degreave, R.; Jurczak, M.; Kittl, J.A.; Groeseneken, G.; Wouters, D.J. Insights into Ni-filament formation in unipolar-switching Ni/HfO2/TiN resistive random access memory device 2012 Applied physics letters 100 29 UA library record; WoS full record; WoS citing articles doi
Khalilov, U.; Pourtois, G.; van Duin, A.C.T.; Neyts, E.C. Hyperthermal oxidation of Si(100)2x1 surfaces : effect of growth temperature 2012 The journal of physical chemistry: C : nanomaterials and interfaces 116 32 UA library record; WoS full record; WoS citing articles doi
Pham, A.-T.; Sorée, B.; Magnus, W.; Jungemann, C.; Meinerzhagen, B.; Pourtois, G. Quantum simulations of electrostatics in Si cylindrical junctionless nanowire nFETs and pFETs with a homogeneous channel including strain and arbitrary crystallographic orientations 2012 Solid state electronics 71 2 UA library record; WoS full record; WoS citing articles pdf doi
Hardy, A.; Van Elshocht, S.; De Dobbelaere, C.; Hadermann, J.; Pourtois, G.; De Gendt, S.; Afanas'ev, V.V.; Van Bael, M.K. Properties and thermal stability of solution processed ultrathin, high-k bismuth titanate (Bi2Ti2O7) films 2012 Materials research bulletin 47 UA library record; WoS full record; WoS citing articles pdf doi
Clima, S.; Chen, Y.Y.; Degraeve, R.; Mees, M.; Sankaran, K.; Govoreanu, B.; Jurczak, M.; De Gendt, S.; Pourtois, G. First-principles simulation of oxygen diffusion in HfOx : role in the resistive switching mechanism 2012 Applied physics letters 100 63 UA library record; WoS full record; WoS citing articles doi
Mees, M.J.; Pourtois, G.; Neyts, E.C.; Thijsse, B.J.; Stesmans, A. Uniform-acceptance force-bias Monte Carlo method with time scale to study solid-state diffusion 2012 Physical review : B : condensed matter and materials physics 85 31 UA library record; WoS full record; WoS citing articles url doi
Scalise, E.; Houssa, M.; Pourtois, G.; Afanas'ev, V.; Stesmans, A. Strain-induced semiconductor to metal transition in the two-dimensional honeycomb structure of MoS2 2012 Nano Research 5 407 UA library record; WoS full record; WoS citing articles pdf doi
Delabie, A.; Sioncke, S.; Rip, J.; Van Elshocht, S.; Pourtois, G.; Mueller, M.; Beckhoff, B.; Pierloot, K. Reaction mechanisms for atomic layer deposition of aluminum oxide on semiconductor substrates 2012 Journal of vacuum science and technology: A: vacuum surfaces and films 30 41 UA library record; WoS full record; WoS citing articles doi
Pourtois, G.; Lauwers, A.; Kittl, J.; Pantisano, L.; Sorée, B.; De Gendt, S.; Magnus, W.; Heyns, A.; Maex, K. First-principle calculations on gate/dielectric interfaces : on the origin of work function shifts 2005 Microelectronic engineering 80 31 UA library record; WoS full record; WoS citing articles pdf doi
Khalilov, U.; Neyts, E.C.; Pourtois, G.; van Duin, A.C.T. Can we control the thickness of ultrathin silica layers by hyperthermal silicon oxidation at room temperature? 2011 The journal of physical chemistry: C : nanomaterials and interfaces 115 36 UA library record; WoS full record; WoS citing articles doi
Scalise, E.; Houssa, M.; Pourtois, G.; Afanas'ev, V.V.; Stesmans, A. Inelastic electron tunneling spectroscopy of HfO2 gate stacks : a study based on first-principles modeling 2011 Applied physics letters 99 1 UA library record; WoS full record; WoS citing articles doi
Pham, A.-T.; Zhao, Q.-T.; Jungemann, C.; Meinerzhagen, B.; Mantl, S.; Sorée, B.; Pourtois, G. Comparison of strained SiGe heterostructure-on-insulator (0 0 1) and (1 1 0) PMOSFETs : CV characteristics, mobility, and ON current 2011 Solid state electronics 65-66 2 UA library record; WoS full record; WoS citing articles pdf doi
Houssa, M.; Pourtois, G.; Afanas'ev, V.V.; Stesmans, A. Electronic properties of two-dimensional hexagonal germanium 2010 Applied physics letters 96 86 UA library record; WoS full record; WoS citing articles doi
Nourbakhsh, A.; Cantoro, M.; Klekachev, A.V.; Pourtois, G.; Vosch, T.; Hofkens, J.; van der Veen, M.H.; Heyns, M.M.; de Gendt, S.; Sels, B.F. Single layer vs bilayer graphene : a comparative study of the effects of oxygen plasma treatment on their electronic and optical properties 2011 The journal of physical chemistry: C : nanomaterials and interfaces 115 46 UA library record; WoS full record; WoS citing articles doi
Delabie, A.; Sioncke, S.; Rip, J.; van Elshocht, S.; Caymax, M.; Pourtois, G.; Pierloot, K. Mechanisms for the trimethylaluminum reaction in aluminum oxide atomic layer deposition on sulfur passivated germanium 2011 The journal of physical chemistry: C : nanomaterials and interfaces 115 9 UA library record; WoS full record; WoS citing articles doi
Scalise, E.; Houssa, M.; Pourtois, G.; Afanas'ev, V.V.; Stesmans, A. Structural and vibrational properties of amorphous GeO2 from first-principles 2011 Applied physics letters 98 226 UA library record; WoS full record; WoS citing articles doi
Neyts, E.C.; Khalilov, U.; Pourtois, G.; van Duin, A.C.T. Hyperthermal oxygen interacting with silicon surfaces : adsorption, implantation, and damage creation 2011 The journal of physical chemistry: C : nanomaterials and interfaces 115 28 UA library record; WoS full record; WoS citing articles doi
Sorée, B.; Magnus, W.; Pourtois, G. Analytical and self-consistent quantum mechanical model for a surrounding gate MOS nanowire operated in JFET mode 2008 Journal of computational electronics 7 70 UA library record; WoS full record; WoS citing articles doi
Neyts, E.; Maeyens, A.; Pourtois, G.; Bogaerts, A. A density-functional theory simulation of the formation of Ni-doped fullerenes by ion implantation 2011 Carbon 49 13 UA library record; WoS full record; WoS citing articles doi
Compemolle, S.; Pourtois, G.; Sorée, B.; Magnus, W.; Chibotaru, L.F.; Ceulemans, A. Conductance of a copper-nanotube bundle interface: impact of interface geometry and wave-function interference 2008 Physical review : B : condensed matter and materials physics 77 8 UA library record; WoS full record; WoS citing articles doi
Clima, S.; O'Sullivan, B.J.; Ronchi, N.; Bardon, M.G.; Banerjee, K.; Van den Bosch, G.; Pourtois, G.; van Houdt, J. Ferroelectric switching in FEFET : physics of the atomic mechanism and switching dynamics in HfZrOx, HfO2 with oxygen vacancies and Si dopants 2020 UA library record; WoS full record; WoS citing articles pdf doi
Guo, J.; Clima, S.; Pourtois, G.; Van Houdt, J. Identifying alternative ferroelectric materials beyond Hf(Zr)O-₂ 2020 Applied Physics Letters 117 UA library record; WoS full record; WoS citing articles doi
Khanam, A.; Vohra, A.; Slotte, J.; Makkonen, I.; Loo, R.; Pourtois, G.; Vandervorst, W. A demonstration of donor passivation through direct formation of V-As-i complexes in As-doped Ge1-XSnx 2020 Journal Of Applied Physics 127 UA library record; WoS full record; WoS citing articles url doi
Vohra, A.; Makkonen, I.; Pourtois, G.; Slotte, J.; Porret, C.; Rosseel, E.; Khanam, A.; Tirrito, M.; Douhard, B.; Loo, R.; Vandervorst, W. Source/drain materials for Ge nMOS devices: phosphorus activation in epitaxial Si, Ge, Ge1-xSnx and SiyGe1-x-ySnx 2020 Ecs Journal Of Solid State Science And Technology 9 UA library record; WoS full record; WoS citing articles url doi
Mehta, A.N.; Mo, J.; Pourtois, G.; Dabral, A.; Groven, B.; Bender, H.; Favia, P.; Caymax, M.; Vandervorst, W. Grain-boundary-induced strain and distortion in epitaxial bilayer MoS₂ lattice 2020 Journal Of Physical Chemistry C 124 2 UA library record; WoS full record; WoS citing articles pdf doi
Clima, S.; Garbin, D.; Opsomer, K.; Avasarala, N.S.; Devulder, W.; Shlyakhov, I.; Keukelier, J.; Donadio, G.L.; Witters, T.; Kundu, S.; Govoreanu, B.; Goux, L.; Detavernier, C.; Afanas'ev, V.; Kar, G.S.; Pourtois, G. Ovonic threshold-switching GexSey chalcogenide materials : stoichiometry, trap nature, and material relaxation from first principles 2020 Physica Status Solidi-Rapid Research Letters 3 UA library record; WoS full record; WoS citing articles pdf doi
Yu, H.; Schaekers, M.; Chew, S.A.; Eyeraert, J.-L.; Dabral, A.; Pourtois, G.; Horiguchi, N.; Mocuta, D.; Collaert, N.; De Meyer, K. Titanium (germano-)silicides featuring 10-9 Ω.cm2 contact resistivity and improved compatibility to advanced CMOS technology 2018 2018 18th International Workshop On Junction Technology (iwjt) UA library record; WoS full record pdf
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