Cette thèse concerne l’étude des procédés de fabrication des grilles HKMG des technologies FDSOI 14 et 28 nm sur les performances électriques des transistors MOS. Elle a porté spécifiquement sur l'aspect fiabilité et la maîtrise du travail de sortie effectif (WFeff), au travers de la diffusion des additifs comme le lanthane (La) et l’aluminium (Al). Ce travail combine des techniques de caractérisation électriques et physico-chimiques et leur développement. L'effet de l'incorporation de ces additifs sur la fiabilité et la durée de vie du dispositif a été étudié. Le lanthane dégrade les performances de claquage TDDB et de dérives suite aux tests aux tensions négatives. L’introduction d’aluminium améliore le claquage TDDB, mais dégrade les dérives aux tensions positives. Ces comportements ont été reliés à des mécanismes physiques. Par ailleurs, la diffusion de ces additifs dans l’empilement de grille a été étudiée pour différents matériaux high-k en fonction de la température et de la durée de recuit de diffusion. Les doses d’additifs ont pu être ainsi mesurées, comparées et corrélées au décalage de travail de sortie effectif de grille. On a également étudié, les influences des paramètres du procédé de dépôt de grille TiN sur leur microstructure et les propriétés électriques du dispositif, identifiant certaines conditions à même de réduire la taille de grain ou la dispersion d’orientation cristalline. Toutefois, les modulations obtenues sur le travail de sortie effectif de grille dépendent plus du ratio Ti/N, suggérant un changement du dipôle à l'interface SiO2 / high-k. Enfin, une technique éprouvée de mesure de spectroscopie à rayon X sous tension a pu être mise en place grâce des dispositifs spécifiques et une méthodologie adaptée. Elle permet de mesurer les positions relatives des bandes d’énergie à l'intérieur de l’empilement de grille. Cette technique a démontré que le décalage du travail de sortie effectif induits par des additifs (La or Al) ou par des variations d'épaisseur de grille métallique TiN provient de modifications du dipôle à l'interface SiO2/ high-k. / This Ph.D. thesis is focused on the impact of the 14 and 28 nm FDSOI technologies HKMG stack processes on the electrical performance of MOS transistors. It concerns specifically the reliability aspect and the engineering of effective workfunction (WFeff ), through diffusion of lanthanum (La) and aluminum (Al) additives. This work combines electrical and physicochemical characterization techniques, and their development. The impact of La and Al incorporation, in the MOS gate stack, on reliability and device lifetime has been studied. La addition has a significant negative impact on device lifetime related to both NBTI and TDDB degradations. Addition of Al has a significant negative impact on lifetime related to PBTI, but on the contrary improves the lifetime for TDDB degradation. These impacts on device lifetime have been well correlated to the material changes inside the gate oxides. Moreover, diffusion of these additives into the HKMG stack with annealing temperature and time has been studied on different high-k materials. The diffused dose has been compared with the resulting shift in effective workfunction (WFeff), evidencing clear correlation. In addition, impact of TiN metal gate RF-PVD parameters on its crystal size and orientation, and device electrical properties has been studied. XRD technique has been used to obtain the crystal size and orientation information. These properties are significantly modulated by TiN process, with a low grain size and a unique crystal orientation obtained in some conditions. However, the WFeff modulations are rather correlated to the Ti/N ratio change, suggesting a change in the dipole at SiO2/high-k interface. Lastly, using specific test structures and a new test methodology, a robust and accurate XPS under bias technique has been developed to determine the relative band energy positions inside the HKMG stack of MOS devices. Using this technique, we demonstrated that WFeff shift induced by La and Al or by variations in gate thickness originates due to modifications of the dipole at SiO2/high-k interface.

Materials play an important role in society. Historically, and even at present, materials have been discovered by trial and error, and many of the most useful materials have been discovered by chance. The high-throughput approach aims to remove (as much as possible) chance and guesswork at the experimental level by filtering out materials candidates that are not predicted to exist. Many successes have been recorded. In the high-throughput approach to materials discovery, machined-learned models of materials are created from databases of theoretical materials. These databases are the result of millions of density-functional-theory (DFT) simulations. The size and accuracy of the data in the databases (and, consequently, the predictions of machined-learned models) are most affected by the band energy calculation; most of the computation of a DFT simulation is computing the band energy in the self-consistency cycle, and most of the error in the simulation comes from band energy error. The band energy is obtained from a two-part multidimensional numerical integral over the Brillouin or irreducible Brillouin zone. A quadratic approximation and integration algorithm for computing the band energy in 2D and 3D is described. Analytic and semi-analytic integration of quadratic polynomials over simplices improves the accuracy and efficiency of the calculation. A method is proposed for estimating the error bounds of the quadratic approximation that does not require additional eigenvalues. Error propagation of approximation errors leads to an adaptive refinement approach that is driven by band energy error. Because adaptive meshes have little symmetry, integration is performed within the irreducible Brillouin zone, and a general algorithm for computing the irreducible Brillouin zone is described. The efficiency of quadratic integration is tested on realistic empirical pseudopotentials. When compared to current integration methods, uniform quadratic integration over the irreducible Brillouin zone sometimes results in fewer k-points for a given accuracy. Adaptive refinement fails to improve integration performance because band energy error bounds are inaccurate, especially at accidental crossings at the Fermi level.

This thesis focuses on the simulation of the gyroscopic effect using the software MSC Adams. A simple shaft-disk system was created and parameter of the sys-tem were changed in order to study the influence of the gyroscopic effect. It was shown that an increasing bearing stiffness reduces the precession motion. Fur-thermore, it was shown that the gyroscopic effect vanishes if the disk of system is placed symmetrically on the shaft, which reduces the system to a Jeffcott-Ro-tor. The second objective of this study was to analyze different defects in a simple fixed axis gear set. In particular, a cracked shaft, a cracked pinion and a chipped pinion as well as a healthy gear system were created and tested in Adams. The contact force between the two gears was monitored and the 2D and 3D frequency spectrum, as well as the Wavelet Transform, were plotted in order to compare the individual defects. It was shown that the Wavelet Transform is a powerful tool, capable of identifying a cracked gear with a non-constant speed. The last part of this study included fault detection with statistical methods as well as with the Sideband Energy Ratio (SER). The time domain signal of the individual faults were used to compare the mean, the standard deviation and the root mean square. Furthermore, the noise profile in the frequency spectrum was tracked with statistical methods using the mean and the standard deviation. It was demonstrated that it is possible to identify a cracked gear, as well as a chipped gear, with statistical methods. However, a cracked shaft could not be identified. The results also show that SER was only capable to identify major defects in a gear system such as a chipped tooth.