Investigation of the electronic properties of tellurium—energy-band structure

The band structure of tellurium has been investigated by the orthogonalized plane-wave procedure using a Hartree-Fock-type potential, with a parameter introduced to incorporate consistency effects. The calculated band structure provides good agreement with a number of experimental results for energy differences involving the valence and conduction bands, obtained from reflectance measurements. The good agreement with experiment leads us to conclude that the electronic wave functions obtained from the present work are satisfactory. These wave functions are used in the following paper for a first-principles analysis of the ¹²⁵Te nuclear quadrupole interaction in tellurium.