Abstract
The energy-band structure of SnTe is calculated using the augmented-plane-wave method, taking into account the relativistic corrections. The resulting wave functions at are used to calculate momentum matrix elements. These matrix elements are then used in a k·p perturbation calculation in the presence of a magnetic field to obtain band parameters at point in the Brillouin zone. Nonparabolic expansions for the conduction and valence bands at are obtained using Cohen's model. The effect of strain on the energy levels at is calculated using the deformation-potential theory. The results indicate a complicated shape for the valence band at , with two maxima at each side of on the face of the Brillouin zone. A record set of apparent maxima is found in the direction at . This is consistent with the "two-valence-band" model suggested to explain the experimental results. We are investigating the possibility that these extrema may be saddle points. The conduction- and valence-band-edge symmetries at are opposite to those of the lead chalcogenides, as are the band-gap deformation potentials at this point (-8.68 eV for SnTe and 11.55-17.24 eV for the others). This is in agreement with the experimentally proposed "band-inversion" model.
- Received 23 December 1968
DOI:https://doi.org/10.1103/PhysRev.182.821
©1969 American Physical Society