Abstract
The electronic energy band structures for β-ZrNCl and β-HfNCl, which can be superconducting by intercalation, have been calculated by using the scalar-relativistic full-potential linearized augmented-plane-wave method within the local-density approximation. Intercalation derives the change of crystal structure and thus the change of electronic structure. Both these two compounds show two-dimensional electronic structure. The doping dependence of T c can be explained by the rigid-band model.
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