Abstract
A self-consistent study of energy bands and defect and imputity levels in CuCl have been performed as a function of hydrostatic pressure and/or uniaxial distorsion. These studies are performed using a self-consistent Hartree-Fock technique plus correlation method. The principal results are that the upper valence band is mostly Cu 3d in origin, and that for the normal lattice constant the band gap is direct at Λ and of about 4 eV magnitude. Under uniaxial stress or hydrostatic pressure a weak indirect gap may be generated but of insufficient size to support Abrikosov's hypothesis We find that defects or impurities produce electron states near the conduction band. The role of these electrons is to interact with the exciton field and produce Cooper pairs. This interaction cuts off.when the density of free carriers is large enough to screen the exciton field.
Research supported in part by the U.S. Air Force Office of Scientific Research under Grant no. AFOSR_76_2989 and by the National Science Foundation under Grant DMR_77_23_999
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Collins, T.C., Kunz, A.B., Weidman, R.S. (1980). A model for the diamagnetic anomaly in CuCl. In: André, J.M., Bredas, JL., Delhalle, J., Ladik, J., Leroy, G., Moser, C. (eds) Recent Advances in the Quantum Theory of Polymers. Lecture Notes in Physics, vol 113. Springer, Berlin, Heidelberg. https://doi.org/10.1007/3540097317_87
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DOI: https://doi.org/10.1007/3540097317_87
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