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  Author Title Year Publication Volume Times cited (up) Additional Links Links
Clima, S.; Kaczer, B.; Govoreanu, B.; Popovici, M.; Swerts, J.; Verhulst, A.S.; Jurczak, M.; De Gendt, S.; Pourtois, G. Determination of ultimate leakage through rutile TiO2 and tetragonal ZrO2 from ab initio complex band calculations 2013 IEEE electron device letters 34 3 UA library record; WoS full record; WoS citing articles doi
Schoeters, B.; Neyts, E.C.; Khalilov, U.; Pourtois, G.; Partoens, B. Stability of Si epoxide defects in Si nanowires : a mixed reactive force field/DFT study 2013 Physical chemistry, chemical physics 15 3 UA library record; WoS full record; WoS citing articles url doi
Schoeters, B.; Leenaerts, O.; Pourtois, G.; Partoens, B. Ab-initio study of the segregation and electronic properties of neutral and charged B and P dopants in Si and Si/SiO2 nanowires 2015 Journal of applied physics 118 3 UA library record; WoS full record; WoS citing articles pdf url 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
Sankaran, K.; Swerts, J.; Couet, S.; Stokbro, K.; Pourtois, G. Oscillatory behavior of the tunnel magnetoresistance due to thickness variations in Ta vertical bar CoFe vertical bar MgO magnetic tunnel junctions : a first-principles study 2016 Physical review B 94 4 UA library record; WoS full record; WoS citing articles url doi
Lu, A.K.A.; Pourtois, G.; Agarwal, T.; Afzalian, A.; Radu, I.P.; Houssa, M. 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 2016 Applied physics letters 108 4 UA library record; WoS full record; WoS citing articles doi
de de Meux, A.J.; Pourtois, G.; Genoe, J.; Heremans, P. Effects of hole self-trapping by polarons on transport and negative bias illumination stress in amorphous-IGZO 2018 Journal of applied physics 123 4 UA library record; WoS full record; WoS citing articles pdf url doi
Dhayalan, S.K.; Kujala, J.; Slotte, J.; Pourtois, G.; Simoen, E.; Rosseel, E.; Hikavyy, A.; Shimura, Y.; Loo, R.; Vandervorst, W. On the evolution of strain and electrical properties in as-grown and annealed Si:P epitaxial films for source-drain stressor applications 2018 ECS journal of solid state science and technology 7 4 UA library record; WoS full record; WoS citing articles url doi
Phung, Q.M.; Vancoillie, S.; Delabie, A.; Pourtois, G.; Pierloot, K. Ruthenocene and cyclopentadienyl pyrrolyl ruthenium as precursors for ruthenium atomic layer deposition : a comparative study of dissociation enthalpies 2012 Theoretical chemistry accounts : theory, computation, and modeling 131 5 UA library record; WoS full record; WoS citing articles doi
de de Meux, A.J.; Pourtois, G.; Genoe, J.; Heremans, P. Origin of the apparent delocalization of the conduction band in a high-mobility amorphous semiconductor 2017 Journal of physics : condensed matter 29 5 UA library record; WoS full record; WoS citing articles pdf doi
Loo, R.; Arimura, H.; Cott, D.; Witters, L.; Pourtois, G.; Schulze, A.; Douhard, B.; Vanherle, W.; Eneman, G.; Richard, O.; Favia, P.; Mitard, J.; Mocuta, D.; Langer, R.; Collaert, N. Epitaxial CVD Growth of Ultra-Thin Si Passivation Layers on Strained Ge Fin Structures 2018 ECS journal of solid state science and technology 7 5 UA library record; WoS full record; WoS citing articles url doi
Vohra, A.; Khanam, A.; Slotte, J.; Makkonen, I.; Pourtois, G.; Loo, R.; Vandervorst, W. Evolution of phosphorus-vacancy clusters in epitaxial germanium 2019 Journal of applied physics 125 5 UA library record; WoS full record; WoS citing articles pdf doi
Phung, Q.M.; Vancoillie, S.; Pourtois, G.; Swerts, J.; Pierloot, K.; Delabie, A. Atomic layer deposition of ruthenium on a titanium nitride surface : a density functional theory study 2013 The journal of physical chemistry: C : nanomaterials and interfaces 117 6 UA library record; WoS full record; WoS citing articles 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
Houssa, M.; van den Broek, B.; Scalise, E.; Pourtois, G.; Afanas'ev, V.V.; Stesmans, A. Theoretical study of silicene and germanene 2013 Graphene, Ge/iii-v, And Emerging Materials For Post Cmos Applications 5 6 UA library record; WoS full record; WoS citing articles pdf 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
de de Meux, A.J.; Pourtois, G.; Genoe, J.; Heremans, P. Defects in amorphous semiconductors : the case of amorphous indium gallium zinc oxide 2018 Physical review applied 9 7 UA library record; WoS full record; WoS citing articles url 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
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
de de Meux, A.J.; Bhoolokam, A.; Pourtois, G.; Genoe, J.; Heremans, P. Oxygen vacancies effects in a-IGZO : formation mechanisms, hysteresis, and negative bias stress effects 2017 Physica status solidi : A : applications and materials science 214 8 UA library record; WoS full record; WoS citing articles pdf doi
van den Broek, B.; Houssa, M.; Pourtois, G.; Afanas'ev, V.V.; Stesmans, A. Current-voltage characteristics of armchair Sn nanoribbons 2014 Physica status solidi: rapid research letters 8 9 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
Cornil, D.; Li, H.; Wood, C.; Pourtois, G.; Bredas, J.-L.; Cornil, J. Work-function modification of Au and Ag surfaces upon deposition of self-assembled monolayers : influence of the choice of the theoretical approach and the thiol decomposition scheme 2013 ChemPhysChem : a European journal of chemical physics and physical chemistry 14 9 UA library record; WoS full record; WoS citing articles doi
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.; On the manifestation of phosphorus-vacancy complexes in epitaxial Si:P films 2016 Applied physics letters 108 9 UA library record; WoS full record; WoS citing articles url doi
Quan Manh, P.; Pourtois, G.; Swerts, J.; Pierloot, K.; Delabie, A. Atomic layer deposition of Ruthenium on Ruthenium surfaces : a theoretical study 2015 The journal of physical chemistry: C : nanomaterials and interfaces 119 10 UA library record; WoS full record; WoS citing articles doi
Lu, A.K.A.; Houssa, M.; Radu, I.P.; Pourtois, G. Toward an understanding of the electric field-induced electrostatic doping in van der Waals heterostructures : a first-principles study 2017 ACS applied materials and interfaces 9 10 UA library record; WoS full record; WoS citing articles pdf doi
Goux, L.; Fantini, A.; Govoreanu, B.; Kar, G.; Clima, S.; Chen, Y.-Y.; Degraeve, R.; Wouters, D.J.; Pourtois, G.; Jurczak, M. Asymmetry and switching phenomenology in TiN\ (Al2O3) \ HfO2 \ Hf systems 2012 ECS solid state letters 1 11 UA library record; WoS full record; WoS citing articles doi
Delabie, A.; Jayachandran, S.; Caymax, M.; Loo, R.; Maggen, J.; Pourtois, G.; Douhard, B.; Conard, T.; Meersschaut, J.; Lenka, H.; Vandervorst, W.; Heyns, M.; Epitaxial chemical vapor deposition of silicon on an oxygen monolayer on Si(100) substrates 2013 ECS solid state letters 2 12 UA library record; WoS full record; WoS citing articles url 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
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
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