Electronic structure of Mg, Zn and Cd

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Abstract
Electronic structures for Mg, Zn and Cd have been completed using the linear muffin tin orbital method. The results include plots of band structure, Fermi-surfaces in extended and reduced zone schemes and density-of-states functions. Generally, good agreement with some other ab initio band results as well as with experiment is found for the Fermi surface dimensions except for an absence of needles in Zn. For the d bands, it is found that in Zn they are localised above the conduction-band minimum, while in Cd they lie only partially above the conduction band.

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