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Abstract:
Compounds with LiAlSi (half-Heusler) and LiGaGe structure types have
been investigated by means of band structure calculations. The LiAlSi
structure type is known as the half-Heusler structure type, whereas
LiGaGe is a closely related hexagonal variant. A remarkable feature of
some XYZ half-Heusler compounds with 8 and 18 valence electrons is, that
despite being composed of only metallic elements, they are
semiconductors. More than 100 semiconducting compounds within these
structure types are known. LiGaGe compounds have an additional degree of
freedom, namely the degree of puckering of the layers. These compounds
can become semiconducting at a certain degree of puckering.
Half-metallic behavior is rarely found in this structure type. (c) 2009
WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
