Skip to Main Content

Access Provided by Xinjiang University

Physical Review Journals Archive

Access by Xinjiang University

Electronic Band Structure in the Sodium Iodide Crystal

A. Barry Kunz^*

Lehigh University, Bethlehem, Pennsylvania

^*National Aeronautics and Space Administration fellow in physics.

Phys. Rev. 151, 620 – Published 11 November, 1966Erratum Phys. Rev. 155, 1046 (1967)

DOI: https://doi.org/10.1103/PhysRev.151.620

Abstract

The electronic band structure of sodium iodide has been calculated by using the tight-binding method for the valence bands and an empirical method for the lowest conduction bands. Functions for the $I^{-}$ and ${Na}^{+}$ ions have been obtained by solving the Hartree-Fock-Slater modified equation. The $5 p$ and $5 s$ $I^{-}$ functions are allowed to mix at appropriate points in the Brillouin zone. The lattice parameter is varied and yields results for shifts in energy which agree with those observed when the lattice temperature is changed. Spin-orbit interactions are included and yield results for the $5 p$ bands which are in agreement with experiment. Effective masses for electrons and holes are calculated at the points $Γ$ , L, and $X$ in the valence and conduction bands.

Erratum

Electronic Band Structure in the Sodium Iodide Crystal

A. Barry Kunz

Phys. Rev. 155, 1046 (1967)

References (19)

R. C. Casella, Phys. Rev. 104, 1260 (1956)
L. P. Howland, Phys. Rev. 109, 1927 (1958)
A. B. Kunz and W. J. Van Sciver, Phys. Rev. 142, 462 (1966)
W. Beall Fowler, Phys. Rev. 132, 1591 (1963)
F. Bassani, R. S. Knox, and W. Beall Fowler, Phys. Rev. 137, A1217 (1965)
F. Herman and S. Skillman, Atomic Structure Calculations (Prentice-Hall, Inc., Englewood Cliffs, New Jersey, 1963)
J. E. Eby, K. J. Teegarden, and D. B. Dutton, Phys. Rev. 116, 1099 (1959)
J. C. Phillips, Phys. Rev. 136, A1705 (1964)
P. P. M. Meincke and G. M. Graham, Can. J. Phys. 43, 1853 (1965)
F. Bloch, Z. Physik 52, 555 (1928)
J. C. Slater, Rev. Mod. Phys. 37, 68 (1965)
R. S. Knox and A. Gold, Symmetry in the Solid State (W. A. Benjamin, Inc., New York, 1964)
L. P. Bouckaert, R. Smoluchowski, and E. Wigner, Phys. Rev. 50, 58 (1936)
J. C. Slater and F. Koster, Phys. Rev. 94, 1498 (1954)
J. B. Scarborough, Numerical Mathematical Analysis (The Johns Hopkins Press, Baltimore, Maryland, 1962), 5th ed., Chap. 8
G. F. Koster et al., Properties of the Thirty Two Point Groups (The MIT Press, Cambridge, Massachusetts, 1963)
F. Bassani and S. Giuliano in Proceedings of the International Symposium on Color Centers in Alkali Halides, Urbana, Illinois, 1965 (unpublished)
R. J. Elliot, Phys. Rev. 108, 1384 (1957)
W. Kohn and J. M. Luttinger, Phys. Rev. 98, 915 (1955)