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  Author Title (up) Year Publication Volume Times cited Additional Links Links
Sankaran, K.; Clima, S.; Mees, M.; Pourtois, G. Exploring alternative metals to Cu and W for interconnects applications using automated first-principles simulations 2015 ECS journal of solid state science and technology 4 19 UA library record; WoS full record; WoS citing articles url 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
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
van den Broek, B.; Houssa, M.; Scalise, E.; Pourtois, G.; Afanas'ev, V.V.; Stesmans, A. First-principles electronic functionalization of silicene and germanene by adatom chemisorption 2014 Applied surface science 291 32 UA library record; WoS full record; WoS citing articles doi
Mees, M.J.; Pourtois, G.; Rosciano, F.; Put, B.; Vereecken, P.M.; Stesmans, A. First-principles material modeling of solid-state electrolytes with the spinel structure 2014 Physical chemistry, chemical physics 8 UA library record; WoS full record; WoS citing articles doi
Sankaran, K.; Pourtois, G.; Degraeve, R.; Zahid, M.B.; Rignanese, G.-M.; Van Houdt, J. First-principles modeling of intrinsic and extrinsic defects in \gamma-Al2O3 2010 Applied physics letters 97 12 UA library record; WoS full record; WoS citing articles doi
Clima, S.; McMitchell, S.R.C.; Florent, K.; Nyns, L.; Popovici, M.; Ronchi, N.; Di Piazza, L.; Van Houdt, J.; Pourtois, G. First-principles perspective on poling mechanisms and ferroelectric/antiferroelectric behavior of Hf1-xZrxO2 for FEFET applications 2018 2018 Ieee International Electron Devices Meeting (iedm) UA library record; WoS full record; WoS citing articles pdf
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
Scalise, E.; Houssa, M.; Pourtois, G.; Afanas'ev, V.V.; Stesmans, A. First-principles study of strained 2D MoS2 2014 Physica. E: Low-dimensional systems and nanostructures 56 72 UA library record; WoS full record; WoS citing articles doi
Clima, S.; Chen, Y.Y.; Chen, C.Y.; Goux, L.; Govoreanu, B.; Degraeve, R.; Fantini, A.; Jurczak, M.; Pourtois, G. First-principles thermodynamics and defect kinetics guidelines for engineering a tailored RRAM device 2016 Journal of applied physics 119 17 UA library record; WoS full record; WoS citing articles url doi
van den Broek, B.; Houssa, M.; Iordanidou, K.; Pourtois, G.; Afanas'ev, V.V.; Stesmans, A. Functional silicene and stanene nanoribbons compared to graphene: electronic structure and transport 2016 2D materials 3 19 UA library record; WoS full record; WoS citing articles 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
Vohra, A.; Khanam, A.; Slotte, J.; Makkonen, I.; Pourtois, G.; Porret, C.; Loo, R.; Vandervorst, W. Heavily phosphorus doped germanium : strong interaction of phosphorus with vacancies and impact of tin alloying on doping activation 2019 Journal of applied physics 125 1 UA library record; WoS full record; WoS citing articles url doi
Clima, S.; Govoreanu, B.; Jurczak, M.; Pourtois, G. HfOx as RRAM material : first principles insights on the working principles 2014 Microelectronic engineering 120 22 UA library record; WoS full record; WoS citing articles pdf 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
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
Clima, S.; Wouters, D.J.; Adelmann, C.; Schenk, T.; Schroeder, U.; Jurczak, M.; Pourtois, G. Identification of the ferroelectric switching process and dopant-dependent switching properties in orthorhombic HfO2 : a first principles insight 2014 Applied physics letters 104 79 UA library record; WoS full record; WoS citing articles 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
Lu, A.K.A.; Houssa, M.; Luisier, M.; Pourtois, G. Impact of layer alignment on the behavior of MoS2-ZrS2 tunnel field-effect transistors : an ab initio study 2017 Physical review applied 8 6 UA library record; WoS full record; WoS citing articles url 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
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
Dhayalan, S.K.; Nuytten, T.; Pourtois, G.; Simoen, E.; Pezzoli, F.; Cinquanta, E.; Bonera, E.; Loo, R.; Rosseel, E.; Hikavyy, A.; Shimura, Y.; Vandervorst, W. Insights into the C Distribution in Si:C/Si:C:P and the Annealing Behavior of Si:C Layers 2019 ECS journal of solid state science and technology 8 UA library record; WoS full record pdf doi
Clima, S.; Chen, Y.Y.; Fantini, A.; Goux, L.; Degraeve, R.; Govoreanu, B.; Pourtois, G.; Jurczak, M. Intrinsic tailing of resistive states distributions in amorphous <tex>HfOx </tex> and TaOx based resistive random access memories 2015 IEEE electron device letters 36 33 UA library record; WoS full record; WoS citing articles doi
Clima, S.; Belmonte, A.; Degraeve, R.; Fantini, A.; Goux, L.; Govoreanu, B.; Jurczak, M.; Ota, K.; Redolfi, A.; Kar, G.S.; Pourtois, G. Kinetic and thermodynamic heterogeneity : an intrinsic source of variability in Cu-based RRAM memories 2017 Journal of computational electronics 16 2 UA library record; WoS full record; WoS citing articles pdf doi
Nishio, K.; Lu, A.K.A.; Pourtois, G. Low-strain Si/O superlattices with tunable electronic properties : ab initio calculations 2015 Physical review : B : condensed matter and materials physics 91 6 UA library record; WoS full record; WoS citing articles url doi
Clima, S.; Garbin, D.; Devulder, W.; Keukelier, J.; Opsomer, K.; Goux, L.; Kar, G.S.; Pourtois, G. Material relaxation in chalcogenide OTS SELECTOR materials 2019 Microelectronic engineering 215 1 UA library record; WoS full record; WoS citing articles pdf 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
Sankaran, K.; Moors, K.; Dutta, S.; Adelmann, C.; Tokei, Z.; Pourtois, G. Metallic ceramics for low resitivity interconnects : an ab initio insight 2018 Proceedings of the IEEE ... International Interconnect Technology Conference T2 – IEEE International Interconnect Technology Conference (IITC), JUN 04-07, 2018, Santa Clara, CA UA library record; WoS full record; WoS citing articles pdf
de de Meux, A.J.; Pourtois, G.; Genoe, J.; Heremans, P. Method to quantify the delocalization of electronic states in amorphous semiconductors and its application to assessing charge carrier mobility of p-type amorphous oxide semiconductors 2018 Physical review B 97 2 UA library record; WoS full record; WoS citing articles url doi
Khalilov, U.; Pourtois, G.; Huygh, S.; van Duin, A.C.T.; Neyts, E.C.; Bogaerts, A. New mechanism for oxidation of native silicon oxide 2013 The journal of physical chemistry: C : nanomaterials and interfaces 117 24 UA library record; WoS full record; WoS citing articles pdf doi
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