Abstract
The electronic band structure of f.c.c. phase of the rare earth metal cerium (α-cerium) has been calculated using a formulation of the crystal potential where correlation also has been included in addition to exchange. We use the prescription of Cohn and Sham as well as that of Overhauser. The Green’s function method of Korringa-Kohn and Rostoker has been used for obvious advantages in the calculation. The calculations indicate that the s—d bands are hybridized with the f-levels but the f-bands are fairly narrow and lie slightly above the Fermi level. The structure of the bands is qualitatively similar to those of calculations by others except for a general shift of the entire set of bands by about 0·1 Ryd. The density of states has been calculated from the bands obtained. The spin susceptibility ofα-cerium has also been calculated using the Kohn-Sham method. However, the calculated additional contributions to the band structure values cannot still explain the large experimental values reported in the literature.
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References
Brueckner K A and Sawada K 1958Phys. Rev. 112 338–339
Coqblin B and Blandin A 1968Advan. Phys. 17 281–366
Faulkner J S, Davis H L and Joy H W 1967Phys. Rev. 161 656–664
Gáspár R 1954Acta Phys. Hung. 3 263–285
Grimberg A J T, Zandee A P L M and Schinkel C J 1971 Paper presented at the First European Conference on Condensed Matter, Florence, 13–16 September
Grimberg A J T, Schinkel C J and Zandee A P L M 1972Solid State Commun. 11 1579–1583
Gschneidner K A Jr. 1965Rare Earth Research III edition, ed L Eyring (New York: Gordon Breach) pp 153–185
Herring C 1966Magnetism 4 eds G T Rado and H Suhl (New York: Academic Press) p 280
Kohn W and Rostoker N 1954Phys. Rev. 94 1111–1120
Kohn W and Sham L J 1965Phys. Rev. 140 A 1133–1138
Korringa J 1947Physica 13 392–400
Liberman D, Walker J T and Cramer D T 1965Phys. Rev. 137 A 27–34
Loucks T L 1967Augmented Plane Wave Method (New York: W A Benjamin Inc.) pp 49–55
Löwdin P O 1956Advan. Phys. 5 1–172
MacPherson M R, Everett G E, Wohlleben D and Maple M B 1971Phys. Rev. Lett. 26 20–23
Mukhopadhyay G and Gyorffy B L 1973J. Phys. F. 3 1373–1380
Mukhopadhyay G and Majumdar C K 1969J. Phys. C 2 924–925
Mukhopadhyay G 1972J. Phys. F 2 450–458
Mukhopadhyay G 1973Electron energy bands for a and γ-cerium Ph.D. Thesis (University of Bombay)
Overhauser A W 1971Phys. Rev. B3 1888–1897
Ramirez R and Falicov L 1971Phys. Rev. B3 2425–2430
Singh R P 1968Theory of Condensed Matter (IAEA Vienna) pp 941–968
Slater J C 1951Phys. Rev. 81 385–390
Wigner E 1938Trans. Faraday Soc. 34 678–685
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Rao, R.S., Majumdar, C.K., Shastry, B.S. et al. Effect of correlation on the band structure of cerium. Pramana - J. Phys 4, 45–52 (1975). https://doi.org/10.1007/BF02852264
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DOI: https://doi.org/10.1007/BF02852264