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The electronic structure of the layered d(1) compound GdI2 has been
examined systematically in view of its relation to other layered d(1)
systems including superconducting and isostructural 2H-TaS2 and
2H-NbSe2. A van Hove type instability is evident in suitable
representations of the Fermi surface, The presence of the half-filled
and magnetic 4f level should preclude the possibility of
superconductivity. Instead GdI2 orders ferromagnetically at 290(5)K and
displays large negative magnetoresistance approximate to 70% at 7 T
close to room temperature, This finding provides support to the idea
that materials can be searched rationally for interesting properties
through high level electronic structure calculations. (C) 1999 Academic
Press.
