Research on Nucleation of II-VI/III-V Semiconductor Heterojunctions.
Abstract
Two studies were carried out in this program. The first one is molecular dynamics (MD) simulations of MBE growth of ZnSe, and the second one is the analysis of phase separation of ZnSe based alloy epilayers. One study involved molecular dynamics simulations based on the Lennard-Jones- Axilrod-Teller (LJAT) potential model I. Using a set of interatomic potentials based on thermodynamic data and crystal structure data, the atomic configurations in the (110) surface of ZnSe was simulated and compared with experimentally observed surface structure 2. Excellent agreement was obtained between experimental and calculated parameters. The atomic configuration in the Se-terminated (100) surface was also simulated. The simulations yielded a (2x1) dimer structure, agreeing with the observations, but at present no experimental data are available for quantitative examinations. The result of the study suggested that these interatomic potential models of ZnSe can be used for MD studies of elementary processes of homoepitaxial growth of ZnSe by MBE. At the next stage of this MD simulation study, we tried to develop the interatomic potentials of Ga2Se3 and Zn3As2 in order to investigate the nucleation process of ZnSe on (100)GaAs. It was concluded that the LJAT potential model is too simple to describe those compound structures. jg p.2
Document Details
- Document Type
- Technical Report
- Publication Date
- May 31, 1995
- Accession Number
- ADA299962
Entities
People
- N. Otsuka
- R. L. Gunshor
Organizations
- Purdue Research Foundation