Energy bands and effective masses of CuCl
- 15 September 1979
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 20 (6) , 2487-2490
- https://doi.org/10.1103/physrevb.20.2487
Abstract
We have made the first self-consistent energy-band calculation of CuCl with sufficient variational freedom to calculate the effective masses accurately. The conduction-band mass agrees with experiment whereas the valence-band mass is much less than any of the experimental values, indicating that the hole forms a small polaron. The calculation was repeated for a reduced lattice constant. The indirect gap proposed by Rusakov to explain the high-temperature "superconductivity" anomaly does not exist and the direct gap widens with pressure.Keywords
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