Electronic structure of SnS2, SnSe2, CdI2and PbI2
- 28 November 1979
- journal article
- Published by IOP Publishing in Journal of Physics C: Solid State Physics
- Vol. 12 (22), 4753-4766
- https://doi.org/10.1088/0022-3719/12/22/017
Abstract
The band structures of the layer compounds SnS2, SnSe2, CdI2 and PbI2 are calculated by the tight-binding method. They are in closer agreement with experimental results and previous pseudopotential calculations than previous tight-binding results have been. A universal band structure for the family is found by use of approximate algebraic band energies. For the 16-electron crystals a Gamma 2- to L1+ indirect gap and a main optical transition due to anion p-cation p orbitals is found, whilst for PbI2 the gap is direct at A.Keywords
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