Accession Number : ADA180306

Title :   Theory of Electronic States and Formation Energies of Defect Complexes, Interstitial Defects and Crystal Growth in Semiconductors.

Descriptive Note : Annual rept. for Aug 85-Aug 86,

Corporate Author : ARIZONA STATE UNIV TEMPE DEPT OF PHYSICS

Personal Author(s) : Sankey, O F

PDF Url : ADA180306

Report Date : Aug 1986

Pagination or Media Count : 16

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.

Descriptors :   *SEMICONDUCTORS, *CRYSTAL DEFECTS, *ELECTRONIC STATES, SURFACES, ENERGETIC PROPERTIES, IMPURITIES, INTERSTITIAL, DYNAMICS, MOLECULAR PROPERTIES, SIMULATION, CRYSTALS, CHALCOGENS, SILICON, DEFECTS(MATERIALS), ENERGY, SHALLOW DEPTH, SOLIDS, ENERGY GAPS, THEORY

Subject Categories : Solid State Physics

Distribution Statement : APPROVED FOR PUBLIC RELEASE