Copper is one of the most important contaminants for silicon electronics, and it has detrimental effects on device performance if present in active regions. In this work, the authors investigate copper precipitation models including Fermi level dependence that provide the foundation for simulating copper diffusion and precipitation processes in silicon. These models are verified by comparison to experimental measurements.
The incorporation of strain in order to improve mobility has become an important element in CMOS device scaling. In this work, we have developed a new moment-based model of extended defect kinetics and further studied the impact due to stress on the energies of impurities, point defects and particularly extended defects. We specifically look at point defect clusters which control transient enhanced diffusion (TED). The results enable comprehensive models for dependence of nanoscale device structures on stress which can be used for process optimization.
In this work, density functional theory calculations are used to calculate the separate effects of stress/strain and chemical binding on diffusion, segregation and solubility of dopants in group IV alloy materials. Kinetic lattice Monte Carlo calculations are used to extract the effects of anisotropic stress and random alloy distributions. We find that segregation and solubility is dominated by stress effects, but that chemical interactions of Ge and C with point defects have a significant effect on diffusivity in SiGeC alloys.
Extensive ab-initio calculations were performed to find formation energies of stable C complex configurations in silicon as function of stress. The results indicate that substitutional C is the lowest energy state, while the <100> split interstitial is the dominant mobile species. Investigation of small carbon/interstitial clustering suggests that these clusters are only significant under a substantial interstitial supersaturation. We studied the diffusion path for neutral C including the impact of stress. Through KLMC analysis of stress effect on diffusivity, we found that tensile biaxial strain enhances the effective C diffusivity, with a stronger stress dependence for C diffusivity in the out-of-plane direction.
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