IR materials producibility

Physics – Optics

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Boltzmann Transport Equation, Crystal Dislocations, Electron Mobility, Fermi-Dirac Statistics, Hall Effect, Infrared Radiation, Lithium Niobates, Mercury Cadmium Tellurides, Nonlinear Optics, Optical Materials, Energy Of Formation, Gas Transport, Liquid Phase Epitaxy, Mercury Alloys, Transport Properties, Zinc Selenides

Scientific paper

During this quarter, we completed an important component of our work on the gradient corrections to the defect formation energies. This correction applies to all total energies calculated, including those for defects in HgCeTe, ZnSe, and LiNbO3, and permits us to calculate accurate absolute defect densities. We have developed a preliminary description of the tellurium inclusion formation process in HgCdTe, and proposed a mechanism for the mobility reduction in undoped mercury-annealed LPE material. We have begun the calculation of the lithium vacancy formation energies in LiNbO3. We have continued our work on the impact of dislocations on MCT device properties. We have calculated the electron mobility in Hg(0.22)Cd(0.78)Te by solving the Boltzmann transport equation with Fermi-Dirac statistics and the full band structure, and we have obtained excellent agreement with experiments. The transport-related properties (Hall coefficient, Fermi level, and energy gap) have also been calculated with accurate analytical band structures and Fermi-Dirac statistics, and we find that the results differ appreciably from those using traditional approximations. All of these results are being incorporated into processing strategies to increase yields and performance of devices.

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