Theoretical Studies of the Chemistry and Physics of Oxygen in Silicon
Abstract
We have developed a cyclic-cluster program to compute the structure and properties of defects in crystalline solids. We have found the semi-empirical electronic structure method MINDO/3 to give the best account of the structure, stability and states near the gap for defects in silicon. We have applied the cyclic cluster program to describe the chemistry and physics of hydrogen and oxygen in a silicon crystal. We have concluded that a di-ylid is a promising candidate for the core of the 450 oxygen thermal donor in silicon. We have discovered that a four-member ring containing two oxygen atoms is likely to diffuse much faster than interstitial oxygen in silicon. We have applied perturbation theory to give a qualitative explanation of the ladder of effective mass states associated with oxygen clusters in silicon and germanium. Keywords: Semiconductor theory, Silicon defects, Oxygen thermal donors.
Document Details
- Document Type
- Technical Report
- Publication Date
- Nov 18, 1988
- Accession Number
- ADA203168
Entities
People
- James W. Corbett
- Lawrence C. Snyder
Organizations
- State University of New York at Albany