Density-of-states and partial-density-of-states functions for the cubic-band perovskites
- 15 February 1982
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 25 (4) , 2697-2714
- https://doi.org/10.1103/physrevb.25.2697
Abstract
The electronic density-of-states and the partial-density-of-states functions for the 14 primary bands of the cubic -band perovskites are derived as simple, closed form, analytical formulas with the use of an empirical linear-combinations-of-atomic-orbitals model. Comparisons of the model density functions with those derived from more accurate energy-band calculations presented for SrTi, KTa, and NaW are shown to be in good agreement.
Keywords
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