Results for “Anderson impurity model”

NASA NTRS1965

Resonance scattering in impure superconductors.

Anderson model to obtain transition metal impurities effect on superconductors due to resonance scattering

IMPURITY↗

NASA NTRS1996

Electronic Characterization of Defects in Narrow Gap Semiconductors-Comparison of Electronic Energy Levels and Formation Energies in Mercury Cadmium Telluride, Mercury Zinc Telluride, and Mercury Zinc Selenide

We have used a Green's function technique to calculate the energy levels and formation energy of deep defects in the narrow gap semiconductors mercury cadmium telluride (MCT), mercury zinc telluride (MZT) and mercury zinc selenide (MZS). The formation energy is calculated from the difference between the total energy with an impurity cluster and the total energy for the perfect crystal. Substitutional (including antisite), interstitial (self and foreign), and vacancy deep defects are considered. Relaxation effects are calculated (with molecular dynamics). By use of a pseudopotential, we generalize the ideal vacancy model so as to be able to consider relaxation for vacancies. Different charge states are considered and the charged state energy shift (as computed by a modified Haldane-Anderson model) can be twice that due to relaxation. Different charged states for vacancies were not calculated to have much effect on the formation energy. For all cases we find deep defects in the energy gap only for cation site s-like orbitals or anion site p-like orbitals, and for the substitutional case only the latter are appreciably effected by relaxation. For most cases for MCT, MZT, MZS, we consider x (the concentration of Cd or Zn) in the range appropriate for a band gap of 0.1 eV. For defect energy levels, the absolute accuracy of our results is limited, but the precision is good, and hence chemical trends are accurately predicted. For the same reason, defect formation energies are more accurately predicted than energy level position. We attempt, in Appendix B, to calculate vacancy formation energies using relatively simple chemical bonding ideas due to Harrison. However, these results are only marginally accurate for estimating vacancy binding energies. Appendix C lists all written reports and publications produced for the grant. We include abstracts and a complete paper that summarizes our work which is not yet available.

Patterson, James D.↗

NASA NTRS1981

The physics of creep and attenuation in the mantle

The objective is to investigate the role of dislocations in both creep and attenuation. Attenuation in the mantle at seismic frequencies is thought to be caused by the glide of dislocations in the subgrains. Both kink and impurity drag can contribute to the glide time constant. The kink-formation, or Peierls barrier, model for dislocation glide is seen as a low-temperature, high-frequency mechanism most appropriate for pure systems. It is noted that a small amount of impurity drag brings the dislocation glide characteristic time into the seismic band at upper-mantle temperatures. The attenuation and creep behavior of the mantle are related by way of the dislocation structure. Analysis of the various possible mechanisms is facilitated by casting them and the geophysical data in terms of a pre-exponential characteristic time and an activation energy.

Anderson, D. L.↗