Generalized magnetic susceptibilities in metals: Application of the analytic tetrahedron linear energy method to Sc
- 15 March 1975
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 11 (6) , 2109-2117
- https://doi.org/10.1103/physrevb.11.2109
Abstract
A detailed study of the generalized susceptibility of Sc metal determined from an accurate augmented-plane-wave method calculation of its energy-band structure is presented. The calculations were done by means of a computational scheme for derived as an extension of the work of Jepsen and Andersen and Lehmann and Taut on the density-of-states problem. The procedure yields simple analytic expressions for the integral inside a tetrahedral microzone of the Brillouin zone which depends only on the volume of the tetrahedron and the differences of the energies at its corners. Constant-matrix-element results have been obtained for Sc which show very good agreement with the results of Liu, Gupta, and Sinha (but with one less peak) and exhibit a first maximum in at [vs obtained by Liu et al.] which relates very well to dilute rare-earth alloy magnetic ordering at and to the kink in the LA-phonon dispersion curve at .
Keywords
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