Accession Number : ADA299962

Title :   Research on Nucleation of II-VI/III-V Semiconductor Heterojunctions.

Descriptive Note : Final rept. 1 Jun 92-31 May 95,

Corporate Author : PURDUE RESEARCH FOUNDATION LAFAYETTE IN

Personal Author(s) : Otsuka, N. ; Gunshor, R. L.

PDF Url : ADA299962

Report Date : 31 MAY 1995

Pagination or Media Count : 3

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

Descriptors :   *HETEROJUNCTIONS, *SEMICONDUCTORS, *NUCLEATION, *GROUP III COMPOUNDS, *GROUP V COMPOUNDS, *GROUP II-VI COMPOUNDS, SIMULATION, EXPERIMENTAL DATA, CRYSTAL STRUCTURE, MODELS, DYNAMICS, LAYERS, THERMODYNAMICS, GALLIUM ARSENIDES, STRUCTURES, EPITAXIAL GROWTH, ALLOYS, MOLECULAR BEAMS, PHASE, CONFIGURATIONS, ZINC, SEPARATION, ATOMIC PROPERTIES, MOLECULAR PROPERTIES, DIMERS, SELENIUM.

Subject Categories : Solid State Physics
      Inorganic Chemistry
      Physical Chemistry
      Electrical and Electronic Equipment
      Crystallography

Distribution Statement : APPROVED FOR PUBLIC RELEASE