Theory of Electronic States and Formation Energies of Defect Complexes, Interstitial Defects and Crystal Growth in Semiconductors.
Abstract
Significant progress has been acheived on a number of areas described in our proposal. We have (1) successfully developed and applied a theory to understand the deep to shallow transition of the bandgap energy levels of large chalcogen complexes in Silicon, (2) have developed an ab-initio tight-binding-like electronic structure method for solids, (3) have made great progress in understanding the energetics of interstitial impurities in compound semiconductors, (4) have developed a theory to predict equilibrium concentrations of intrinsic and extrinsic defects in semiconducts, (5) have performed the first molecular dynamics simulations of a compound semiconductor surface, and (6) have studied the hydrogen halide molecular crystals under pressure. A brief summary of these topics will now be given.
Document Details
- Document Type
- Technical Report
- Publication Date
- Aug 01, 1986
- Accession Number
- ADA180306
Entities
People
- O. F. Sankey
Organizations
- Arizona State University