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

The band structure of Te 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 diffe...

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Bibliographic Details
Published in:Physical review. B, Condensed matter Condensed matter, 1980-09, Vol.22 (6), p.2968-2975
Main Authors: Coker, Ayodele, Lee, Taesul, Das, T. P.
Format: Article
Language:English
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Summary:The band structure of Te 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 to the conclusion that the electronic wave functions obtained from the present work are satisfactory. These wave functions are used in a following paper for a first-principles analysis of the 125Te nuclear quadrupole interaction in Te.30 refs.--AA
ISSN:0163-1829
DOI:10.1103/PhysRevB.22.2968