Multi-scale modeling of chemical vapor deposition (CVD) is a very broad topic because a large number of physical processes affect the quality and speed of film deposition. These processes have different length scales associated with them creating the need for a multi-scale model. The three main scales of importance to the modeling of CVD are the reactor scale, the feature scale, and the atomic scale. The reactor scale ranges from meters to millimeters and is called the reactor scale because it corresponds with the scale of the reactor geometry. The micrometer scale is labeled as the feature scale in this study because this is the scale related to the feature geometries. However, this is also the scale at which grain boundaries and surface quality can be discussed. The final scale of importance to the CVD process is the atomic scale. The focus of this study is on the reactor and feature scales with special focus on the coupling between these two scales. Currently there are two main methods of coupling between the reactor and feature scales. The first method is mainly applied when a modified line of sight feature scale model is used, with coupling occurring through a mass balance performed at the wafer surface. The second method is only applicable to Monte Carlo based feature scale models. Coupling in this second method is accomplished through a mass balance performed at a plane offset from the surface. During this study a means of using an offset plane to couple a continuum based reactor/meso scale model to a modified line of sight feature scale model was developed. This new model is then applied to several test cases and compared with the surface coupling method. In order to facilitate coupling at an offset plane a new feature scale model called the Ballistic Transport with Local Sticking Factors (BTLSF) was developed. The BTLSF model uses a source plane instead of a hemispherical source to calculate the initial deposition flux arriving from the source volume. The advantage of using a source plane is that it can be made to be the same plane as the coupling plane. The presence of only one interface between the feature and reactor/meso scales simplifies coupling. Modifications were also made to the surface coupling method to allow it to model non-uniform patterned features. Comparison of the two coupling methods showed that they produced similar results with a maximum of 4.6% percent difference in their effective growth rate maps. However, the shapes of individual effective reactivity functions produced by the offset coupling method are more realistic, without the step functions present in the effective reactivity functions of the surface coupling method. Also the cell size of the continuum based component of the multi-scale model was shown to be limited when the surface coupling method was used. Thanks to the work done in this study researchers using a modified line of sight feature scale model now have a choice of using either a surface or an offset coupling method to link their reactor/meso and feature scales. Furthermore, the comparative study of these two methods in this thesis highlights the differences between the two methods allowing their selection to be an informed decision.

Multi-scale modeling of chemical vapor deposition (CVD) is a very broad topic because a large number of physical processes affect the quality and speed of film deposition. These processes have different length scales associated with them creating the need for a multi-scale model. The three main scales of importance to the modeling of CVD are the reactor scale, the feature scale, and the atomic scale. The reactor scale ranges from meters to millimeters and is called the reactor scale because it corresponds with the scale of the reactor geometry. The micrometer scale is labeled as the feature scale in this study because this is the scale related to the feature geometries. However, this is also the scale at which grain boundaries and surface quality can be discussed. The final scale of importance to the CVD process is the atomic scale. The focus of this study is on the reactor and feature scales with special focus on the coupling between these two scales. Currently there are two main methods of coupling between the reactor and feature scales. The first method is mainly applied when a modified line of sight feature scale model is used, with coupling occurring through a mass balance performed at the wafer surface. The second method is only applicable to Monte Carlo based feature scale models. Coupling in this second method is accomplished through a mass balance performed at a plane offset from the surface. During this study a means of using an offset plane to couple a continuum based reactor/meso scale model to a modified line of sight feature scale model was developed. This new model is then applied to several test cases and compared with the surface coupling method. In order to facilitate coupling at an offset plane a new feature scale model called the Ballistic Transport with Local Sticking Factors (BTLSF) was developed. The BTLSF model uses a source plane instead of a hemispherical source to calculate the initial deposition flux arriving from the source volume. The advantage of using a source plane is that it can be made to be the same plane as the coupling plane. The presence of only one interface between the feature and reactor/meso scales simplifies coupling. Modifications were also made to the surface coupling method to allow it to model non-uniform patterned features. Comparison of the two coupling methods showed that they produced similar results with a maximum of 4.6% percent difference in their effective growth rate maps. However, the shapes of individual effective reactivity functions produced by the offset coupling method are more realistic, without the step functions present in the effective reactivity functions of the surface coupling method. Also the cell size of the continuum based component of the multi-scale model was shown to be limited when the surface coupling method was used. Thanks to the work done in this study researchers using a modified line of sight feature scale model now have a choice of using either a surface or an offset coupling method to link their reactor/meso and feature scales. Furthermore, the comparative study of these two methods in this thesis highlights the differences between the two methods allowing their selection to be an informed decision.

Microelectronics integration continuously follows the trend of miniaturisation for which the technologies enabling fine pitch interconnection are in high demand. The recent advancement in the assembly of Hybrid Pixel Detectors, a high resolution detecting and imaging device, is an example of where novel materials and processes can be applied for ultra-fine pitch interconnections. For this application, indium is often used for the fine pitch bump bonding process due to its unique properties that make it especially suitable, in particular in a cryogenic environment where some types of detector have to serve. Indium bumps are typically fabricated through vacuum evaporation at the wafer level; however, this thesis investigates an alternative low cost manufacturing process at the wafer scale for the deposition of indium micro-bumps through electroplating. The work has placed its emphasis on the requirements of future technologies which will enable a low temperature (<150oC), high density interconnection (> 40,000 IOs/cm2) with a high throughput and high production yield. This research is a systematic investigation of the wafer-scale indium bumping process through electrodeposition using indium sulphamate solution. An intensive experimental study of micro-bump formation has been carried out to elaborate the effects of two of the main electroplating factors that can significantly influence the quality of bumps in the course of electrodeposition, namely the current distribution and mass transport. To adjust the current density distribution, various waveforms of current input, including direct current (DC), unipolar pulse current and bipolar pulse reverse current, were employed in the experiments. To assist mass transportation prior to or during electroplating, acoustic agitation including ultrasonic agitation at 30 kHz frequency as well as megasonic agitation at 1 MHz, were utilised. The electrochemical properties of the indium sulphamate solution were first investigated using non-patterned plain substrates prior to indium bumping trials. This provided understanding of the microstructural characteristics of indium deposits produced by electroplating and, through cathodic polarisation measurements, the highest current density suitable for electrodeposition was achieved as approximately 30 mA/cm2 when electroplating was carried out at room temperature and with no agitation applied. The typical surface morphology of DC electroplated indium contained a granular structure with a surface feature size as large as 10 µm. Pulse and pulse reverse electroplating significantly altered the surface morphology of the deposits and the surface became much smoother. By introducing acoustic agitation, the current density range suitable for electrodeposition could be significantly expanded due to the greater mass transfer, which led to a higher speed of deposition with high current efficiency. Wafer-scale indium bumping (15 µm to 25 µm diameter) at a minimum pitch size of 25 µm was successfully developed through electroplating trials with 3 inch test wafers and subsequently applied onto the standard 4 inch wafers. The results demonstrate the capability of electroplating to generate high quality indium bumps with ultrafine pitch at a high consistency and yield. To maximise the yield, pre-wetting of the ultrafine pitch photoresist patterns by both ultrasonic or megasonic agitation is essential leading to a bumping yield up to 99.9% on the wafer scale. The bump profiles and their uniformity at both the wafer and pattern scale were measured and the effects of electrodeposition regimes on the bump formation evaluated. The bump uniformity and microstructure at the feature scale were also investigated by cross-sectioning the electroplated bumps from different locations on the wafers. The growth mechanism of indium bumps were proposed on the basis of experimental observation. It was found that the use of a conductive current thief ring can homogenise the directional bump uniformity when the electrical contact is made asymmetrically, and improve the overall uniformity when the electrical contact is made symmetrically around the periphery of the wafer. Both unipolar pulse electroplating and bipolar pulse reverse electroplating improved the uniformity of the bump height at the wafer scale and pattern scale, and the feature scale uniformity could be significantly improved by pulse reverse electroplating. The best uniformity of 13.6% for a 4 inch wafer was achieved by using pulse reverse electroplating. The effect of ultrasonic agitation on the process was examined, but found to cause damage to the photoresist patterns if used for extended periods and therefore not suitable for use throughout indium bumping. Megasonic agitation enabled high speed bumping without sacrifice of current efficiency and with little damage to the photoresist patterns. However, megasonic agitation tended to degrade some aspects of wafer scale uniformity and should therefore be properly coupled with other electroplating parameters to assist the electroplating process.

En lien avec l’avancée rapide de la réduction de la taille des motifs en microfabrication, des processus physiques négligeables à plus grande échelle deviennent dominants lorsque cette taille s’approche de l’échelle nanométrique. L’identification et une meilleure compréhension de ces différents processus sont essentielles pour améliorer le contrôle des procédés et poursuivre la «nanométrisation» des composantes électroniques. Un simulateur cellulaire à l’échelle du motif en deux dimensions s’appuyant sur les méthodes Monte-Carlo a été développé pour étudier l’évolution du profil lors de procédés de microfabrication. Le domaine de gravure est discrétisé en cellules carrées représentant la géométrie initiale du système masque-substrat. On insère les particules neutres et ioniques à l’interface du domaine de simulation en prenant compte des fonctions de distribution en énergie et en angle respectives de chacune des espèces. Le transport des particules est effectué jusqu’à la surface en tenant compte des probabilités de réflexion des ions énergétiques sur les parois ou de la réémission des particules neutres. Le modèle d’interaction particule-surface tient compte des différents mécanismes de gravure sèche telle que la pulvérisation, la gravure chimique réactive et la gravure réactive ionique. Le transport des produits de gravure est pris en compte ainsi que le dépôt menant à la croissance d’une couche mince. La validité du simulateur est vérifiée par comparaison entre les profils simulés et les observations expérimentales issues de la gravure par pulvérisation du platine par une source de plasma d’argon. / With the reduction of feature dimensions, otherwise negligible processes are becoming dominant in microfabricated profile evolution. Improved understanding of these different processes is essential to improve the control of the microfabrication processes and to further decrease of the feature size. To help attaining such control, a 2D feature scale cellular simulator using Monte-Carlo techniques was developed. The calculation domain is discretized in square cells representing empty space, substrate or mask of the initial system. Neutral and ion species are inserted at simulation interface from their respective angular and energy distributions functions. Particles transport to the feature surface is calculated while taking into account ion reflection on sidewall and neutral reemission. The particles-surface interaction model includes the different etching mechanisms such as sputtering, reactive etching and reactive ion etching. Etch product transport is also taken into account as is their deposition leading to thin film growth. Simulation validity is confirmed by comparison between simulated profiles and experimental observations issued from sputtering of platinum in argon plasma source.

En lien avec l’avancée rapide de la réduction de la taille des motifs en microfabrication, des processus physiques négligeables à plus grande échelle deviennent dominants lorsque cette taille s’approche de l’échelle nanométrique. L’identification et une meilleure compréhension de ces différents processus sont essentielles pour améliorer le contrôle des procédés et poursuivre la «nanométrisation» des composantes électroniques. Un simulateur cellulaire à l’échelle du motif en deux dimensions s’appuyant sur les méthodes Monte-Carlo a été développé pour étudier l’évolution du profil lors de procédés de microfabrication. Le domaine de gravure est discrétisé en cellules carrées représentant la géométrie initiale du système masque-substrat. On insère les particules neutres et ioniques à l’interface du domaine de simulation en prenant compte des fonctions de distribution en énergie et en angle respectives de chacune des espèces. Le transport des particules est effectué jusqu’à la surface en tenant compte des probabilités de réflexion des ions énergétiques sur les parois ou de la réémission des particules neutres. Le modèle d’interaction particule-surface tient compte des différents mécanismes de gravure sèche telle que la pulvérisation, la gravure chimique réactive et la gravure réactive ionique. Le transport des produits de gravure est pris en compte ainsi que le dépôt menant à la croissance d’une couche mince. La validité du simulateur est vérifiée par comparaison entre les profils simulés et les observations expérimentales issues de la gravure par pulvérisation du platine par une source de plasma d’argon. / With the reduction of feature dimensions, otherwise negligible processes are becoming dominant in microfabricated profile evolution. Improved understanding of these different processes is essential to improve the control of the microfabrication processes and to further decrease of the feature size. To help attaining such control, a 2D feature scale cellular simulator using Monte-Carlo techniques was developed. The calculation domain is discretized in square cells representing empty space, substrate or mask of the initial system. Neutral and ion species are inserted at simulation interface from their respective angular and energy distributions functions. Particles transport to the feature surface is calculated while taking into account ion reflection on sidewall and neutral reemission. The particles-surface interaction model includes the different etching mechanisms such as sputtering, reactive etching and reactive ion etching. Etch product transport is also taken into account as is their deposition leading to thin film growth. Simulation validity is confirmed by comparison between simulated profiles and experimental observations issued from sputtering of platinum in argon plasma source.