An orthogonalized plane wave pseudopotential model calculation of the dilational strain dependence of the Fermi surface of white tin

Abstract

The response of the Fermi surface of white tin to uniaxial dilational strain has been determined from an orthogonalized plane wave (OPW) pseudopotential model. The model parameters have been chosen to give a best fit to experimental data on the Fermi surface in the unstrained metal. The strain derivatives of a total of 17 extremal cross sections, normal to the symmetry directions [001], [100], and [110] in the tetragonal crystal, have been calculated. The results for large orbits are found to be generally in good agreement with experimental data; the agreement is only qualitative for orbits on small pieces of the Fermi surface. Properties of the minimal orbit around the re-entrant neck in zone four have been determined; these explain why de Haas – van Alphen oscillations from this orbit have until recently eluded observation.