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Predicting Half Metallic Ferromagnets – A Little Bit More Realism Please

Lukas Muechler and Claudia Felser

Max-Planck-Institut fuer Chemische Physik fester Stoffe, 01187 Dresden, Germany

JUnQ, 3, 2, Articles, 6–9, 2013 (Received 06.05.2013, accepted 26.05.2013, published online 06.06.2013)

In this paper we critically examine recent claims about half metallic ferromagnetism in open p-shell systems.

Odd valence electron compounds like CaAs have been predicted to show a 100 % spin polarization

at the Fermi level, if they can be grown in the zincblende structure. It has furthermore been argued that

this should be possible under special conditions. We will give several arguments against this claim based

on concepts from chemistry and density functional calculations.

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