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Modélisation multi échelles de la croissance des oxydes à fortes permittivités : simulation Monte-Carlo cinétique

Abstract : The calculated reduction of the dimensions of the fundamental active device in integrated circuits - in other terms the scaling of MOS transitors - is facing a great challenge: the silicon oxide based gate will soon become so thin that undesirable leakage currents will heavily compromise the transistor operational characteristics. Several high-k oxides are currently under consideration as potential replacements for SiO2 as gate dielectrics. This work presents an original kinetic Monte-Carlo algorithm, developed within a multi-scale strategy, from molecule to reactor scale. Ab initio studies helped us identify relevant elementary reactional mechanisms before their integration into the Monte-Carlo simulator that can handle up to millions of atoms during seconds long simulated time. Reaching these space and time scales allows a direct confrontation to experiments and macroscopic simulation techniques. After a round up of the scientific context and its methodological needs, this thesis explains the Monte-Carlo code development in interaction with other contributions from our partners in the Hike project (European Union Fifth Framework Package): substrate modeling, growth process (Atomic Layer Deposition) simulation, temporal dynamics, elementary reactional mechanisms& The software validation steps did not only encourage our approach: it has also provided interesting results concerning the substrate reactivity, growth mechanisms and growth kinetics for several high-k oxides, especially hafnium oxide.
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https://tel.archives-ouvertes.fr/tel-00011574
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Submitted on : Thursday, February 9, 2006 - 5:02:19 PM
Last modification on : Monday, October 19, 2020 - 11:04:47 AM
Long-term archiving on: : Monday, September 17, 2012 - 11:50:19 AM

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  • HAL Id : tel-00011574, version 1

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Guillaume Mazaleyrat. Modélisation multi échelles de la croissance des oxydes à fortes permittivités : simulation Monte-Carlo cinétique. Micro et nanotechnologies/Microélectronique. Université Paul Sabatier - Toulouse III, 2006. Français. ⟨tel-00011574⟩

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