Theory of Electronic States and Formation Energies of Defect Complexes, Interstitial Defects and Crystal Growth in Semiconductors.
Annual rept. for Aug 85-Aug 86,
ARIZONA STATE UNIV TEMPE DEPT OF PHYSICS
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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.
- Solid State Physics