Mechanical Properties of Semiconductors and Their Alloys
Abstract
A wide range of subjects have been treated in this contract. We have devoted time to the development and applications of two first principles computational methods: one, the full-potential linear muffin tin orbital (FP-LMTO) method is somewhat mature and highly accurate, while the other, linear combination of atomic orbitals (LCAO), is less accurate but more flexible and is easily incorporated into the other calculations we have in place, e.g., surface Green's function methods and CPA. Tight binding has also been used. These methods have been applied to solve a host of mechanical-property problems including elastic constants, cleavage energies, sublimation energies, interactions between surface atoms relating to their surface order-disorder state and growth theory, surface segregation, bulk order-disorder theory and phase stability, the effect of dislocations on electronic transport and electro-optic properties of semiconductors, the Ni-Al intermetallic phase diagram, planar fault energies in L12 alloys, high-performance structural metal alloy design, and a contribution to understanding the Jones theory of metal alloying. Many of these subjects have been brought to publishable conclusions. Whenever possible, we have presented our detailed results in the form of preprints and reprints, with only brief summaries of the work given here. In instances where the research is incomplete, we have given somewhat longer expositions.
Document Details
- Document Type
- Technical Report
- Publication Date
- Feb 01, 1992
- Accession Number
- ADA253908
Entities
People
- . Krishnamurthy
- A. Sher
- A. T. Paxton
- A.-b. Chen
- M. A. Berding
Organizations
- SRI International