RELATIVISTIC EFFECTS IN LEAD TELLURIDE.
MASSACHUSETTS INST OF TECH CAMBRIDGE DEPT OF ELECTRICAL ENGINEERING
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The Augmented Plane Wave Method for calculating the band structure of a solid has been extended to include the relativistic terms of the two-component Hamiltonian which is obtained by two successive applications of the Foldy-Wouthuysen transformation to the Dirac Hamiltonian. The order of the secular equation is reduced by using basis functions which are basis partners for the irreducible representations of the double group. These functions are constructed from the solutions of the non-relativistic Hamiltonian for lead telluride. The forms of the relativistic matrix elements between them are found, with full use of group-theoretical techniques to simplify the calculation. These matrix elements are evaluated numerically, and the resulting Hamiltonian matrix is diagonalized to give the energy levels of lead telluride. The resulting band structure appears to be reconcilable with the available experimental information about lead telluride and, it is hoped, will be of value in correctly interpreting the experimental data for the material. Author
- Solid State Physics