Atomic and Nanoscale Modeling – TechConnect Briefs

Papers:

Effect of Stress on Dopant Diffusion in Si

Daw M.S., Windl W., Laudon M., Clemson University, US

We present a theoretical treatment of the effect of stress on dopant and defect diffusion in Si. A prior treatment [P.H. Dederichs and K. Schroeder, Phys. Rev. B 17, 2524 (1978)] of vacancy diffusion in [...]

Atomistic Modeling of Arsenic Diffusion and Activation

Dunham S., Fastenko P., Qin Z., Henkelman G., University of Washington, US

Understanding the diffusion and activation of arsenic is critical for the formation of low resistance ultra-shallow junctions as required for nanoscale MOS devices. In this work, we combine the results of ab-initio calculations with continuum [...]

Theoretical Investigations of Diffusion and Clustering in Semiconductors

Uberuaga B.P., Henkelman G., Jonsson H., Dunham S.T., Windl W., Los Alamos National Lab, US

Density functional theory studies of two systems have been conducted: mechanisms of self-diffusion in Ge and clustering of B in Si. In the case of self-diffusion of Ge, we find for the vacancy mechanism within [...]

Boron Diffusion and Activation in Silicon in the Presence of Other Species

Li H-J., Kohli P., Ganguly S., Kirichenko T.A., Zeitzoff P., Torres K., Banerjee S., Univ. of Texas Austin, US

Modeling and experimental investigation of B equilibrium diffusivity and its activation in Si in the presence of other species, including ab initio calculations, are presented here. The results suggest that incorporating other species along with [...]

Ab Initio Modeling of Boron Clustering in Silicon

Windl W., Liu X-Y., Masquelier M.P., Motorola, US

We present results of ab initio calculations for the structure and energetic of boron-interstitial clusters in Si and a respective continuum model for the nucleation, growth, and dissolution of such clusters. The structure of the [...]

Thermodynamic Processes of Si-interstitial Clusters

Kim J., Birner S., Richie D.A., Wilkins J.W., Voter A.F., Ohio State University, US

Interstitial defects control the dopant diffusion in ion-implanted silicon by providing traps for and sources of mobile interstitials. A study of the energetics and structural properties of interstitial clusters1 elucidates their growth path: interstitial clusters [...]

Journal: TechConnect Briefs
Volume: 2, Technical Proceedings of the 2001 International Conference on Computational Nanoscience and Nanotechnology
Published: March 19, 2001
Industry sector: Advanced Materials & Manufacturing
Topic: Informatics, Modeling & Simulation
ISBN: 0-9708275-3-9