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  Author Title 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
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
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
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
Lu, A.K.A.; Pourtois, G.; Luisier, M.; Radu, I.P.; Houssa, M. On the electrostatic control achieved in transistors based on multilayered MoS2 : a first-principles study 2017 Journal of applied physics 121 UA library record; WoS full record; WoS citing articles url doi
Dabral, A.; Lu, A.K.A.; Chiappe, D.; Houssa, M.; Pourtois, G. A systematic study of various 2D materials in the light of defect formation and oxidation 2019 Physical chemistry, chemical physics 21 1 UA library record; WoS full record; WoS citing articles pdf 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
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
Sankaran, K.; Swerts, J.; Carpenter, R.; Couet, S.; Garello, K.; Evans, R.F.L.; Rao, S.; Kim, W.; Kundu, S.; Crotti, D.; Kar, G.S.; Pourtois, G. Evidence of magnetostrictive effects on STT-MRAM performance by atomistic and spin modeling 2018 2018 Ieee International Electron Devices Meeting (iedm) UA library record; WoS full record; WoS citing articles
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
Adelmann, C.; Sankaran, K.; Dutta, S.; Gupta, A.; Kundu, S.; Jamieson, G.; Moors, K.; Pinna, N.; Ciofi, I.; Van Elshocht, S.; Bommels, J.; Boccardi, G.; Wilson, C.J.; Pourtois, G.; Tokei, Z. Alternative Metals: from ab initio Screening to Calibrated Narrow Line Models 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 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
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.; 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
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
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
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.; 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
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
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
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
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
Khalilov, U.; Pourtois, G.; van Duin, A.C.T.; Neyts, E.C. On the c-Si\mid a-SiO2 interface in hyperthermal Si oxidation at room temperature 2012 The journal of physical chemistry: C : nanomaterials and interfaces 116 27 UA library record; WoS full record; WoS citing articles doi
Khalilov, U.; Pourtois, G.; Bogaerts, A.; van Duin, A.C.T.; Neyts, E.C. Reactive molecular dynamics simulations on SiO2-coated ultra-small Si-nanowires 2013 Nanoscale 5 17 UA library record; WoS full record; WoS citing articles pdf doi
Houssa, M.; Scalise, E.; Sankaran, K.; Pourtois, G.; Afanas'ev, V.V.; Stesmans, A. Electronic properties of hydrogenated silicene and germanene 2011 Applied physics letters 98 63 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
Houssa, M.; van den Broek, B.; Scalise, E.; Pourtois, G.; Afanas'ev, V.V.; Stesmans, A. An electric field tunable energy band gap at silicene/(0001) ZnS interfaces 2013 Physical chemistry, chemical physics 15 74 UA library record; WoS full record; WoS citing articles pdf 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
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
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
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