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キーワード:
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要旨:
Local-density approximation ab initio band-structure calculations have
been carried out on the misfit compound (LaS)(SrS)(0.2)CrS2. It appears
that this phase can be regarded as an infinite two-dimensional
intercalation compound. One electron is transferred from the LaS slab to
the CrS2 slab. For the (LaS) (La2/3(1-y)SryS)(0.2)CrS2 derivatives Sr
atoms can substitute La atoms up to y=1. This study confirms the
existence of La vacancies in the nondoped compound and is consistent
with the observed nonmetallic character of this phase.
