IR Materials Producibility

Abstract

We have included the gradient correction to the local density approximation, and used it to calculate the cohesive energies for HgTe, CdTe, ZnTe, and ZnSe. We find excellent agreement with experiment. The gradient correction was also added to the defect formation energies in HgTe (used as a model for HgCdTe). Again, the calculated defect densities are in very good agreement with experiment. We have also examined the band structure of HgCdTe and find it to be highly nonparabolic; we have begun to explore the consequences on the defect densities and other device properties. We have examined the properties of dislocations in HgCdTe and conclude that the trapping of carriers at localized states at the dislocation core is not responsible for the observed effects of dislocations on devices. We are currently examining the effect of dislocation-related strain fields on the piezoelectric HgCdTe, and their consequences on device properties. We have begun to calculate the defect formation energies in ZnSe, including relaxation of the nearest neighbors.

Open PDF

Document Details

Document Type
Technical Report
Publication Date
Nov 01, 1992
Accession Number
ADA257695

Entities

People

  • A. B. Chen
  • A. Sher
  • M. A. Berding
  • M. Müller

Organizations

  • SRI International

Tags

Communities of Interest

  • Energy and Power Technologies

DTIC Thesaurus Topics

  • Agreements
  • Band Gaps
  • Band Structures
  • Charge Density
  • Crystal Lattices
  • Electron Holes
  • Electronics Laboratories
  • Electrons
  • Energy Bands
  • Equations
  • Fermi Levels
  • High Temperature
  • Low Temperature
  • Materials
  • Point Defects
  • Semiconductors
  • Valence Bands

Fields of Study

  • Materials science

Readers

  • Materials Science and Engineering.
  • Semiconductor Device Technology