IR materials producibility

Details IR materials producibility IR materials producibility

Nov 1992

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=1992sri..reptv....s&link_type=abstract

Quarterly Report No. 1, 12 Aug. - 31 Oct. 1992 SRI International Corp., Menlo Park, CA.

Other

Approximation, Cadmium Tellurides, Chemical Bonds, Cohesion, Infrared Radiation, Mercury Cadmium Tellurides, Mercury Tellurides, Optical Materials, Piezoelectricity, Zinc Selenides, Zinc Tellurides, Atmospheric Pressure, Energy Of Formation, Photonics, Point Defects

Scientific paper

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.

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