  The XYZ half-Heusler crystal structure can conveniently be described as a
tetrahedral zinc blende YZ structure which is stuffed by a slightly ionic X
species. This description is well suited to understand the electronic structure
of semiconducting 8-electron compounds such as LiAlSi (formulated
Li$^+$[AlSi]$^-$) or semiconducting 18-electron compounds such as TiCoSb
(formulated Ti$^{4+}$[CoSb]$^{4-}$). The basis for this is that [AlSi]$^-$
(with the same electron count as Si$_2$) and [CoSb]$^{4-}$ (the same electron
count as GaSb), are both structurally and electronically, zinc-blende
semiconductors. The electronic structure of half-metallic ferromagnets in this
structure type can then be described as semiconductors with stuffing magnetic
ions which have a local moment: For example, 22 electron MnNiSb can be written
Mn$^{3+}$[NiSb]$^{3-}$. The tendency in the 18 electron compound for a
semiconducting gap -- believed to arise from strong covalency -- is carried
over in MnNiSb to a tendency for a gap in one spin direction. Here we similarly
propose the systematic examination of 18-electron hexagonal compounds for
semiconducting gaps; these would be the "stuffed wurtzite" analogues of the
"stuffed zinc blende" half-Heusler compounds. These semiconductors could then
serve as the basis for possibly new families of half-metallic compounds,
attained through appropriate replacement of non-magnetic ions by magnetic ones.
These semiconductors and semimetals with tunable charge carrier concentrations
could also be interesting in the context of magnetoresistive and thermoelectric
materials.
