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Calculation of the density of states of tight-binding d band for simple cubic lattice

✍ Scribed by P. Modrak

Publisher
John Wiley and Sons
Year
1981
Tongue
English
Weight
357 KB
Volume
20
Category
Article
ISSN
0020-7608

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✦ Synopsis

Abstract

The electronic density of states for d bands was calculated accurately in the tight‐binding approximation for a simple cubic lattice. Numerical values of the density of states for five subbands as well as of the total density of states were tabulated for the set of values of two‐center integrals of the magnitudes corresponding to those estimated for real crystal.

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## Abstract A theoretical expression is derived for a cubic crystal lattice disordered by the introduction of a vacancy‐interstitial pair. Considering only the nearest neighbour interaction for the interstitial atom, the double‐time Green's function has been formally calculated and the ratio of the