CaB{sub 6} : A New Semiconducting Material for Spin Electronics

Ferromagnetism was recently observed at unexpectedly high temperatures in La-doped CaB{sub 6} . The starting point of all theoretical proposals to explain this observation is a semimetallic electronic structure calculated for CaB{sub 6} within the local density approximation. Here we report the resu...

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Bibliographic Details
Published in:Physical review letters 2001-07, Vol.87 (1)
Main Authors: Tromp, H. J., van Gelderen, P., Kelly, P. J., Brocks, G., Bobbert, P. A.
Format: Article
Language:English
Subjects:
CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS
ELECTRONIC STRUCTURE
EXCITATION
FERROMAGNETISM
MAGNETISM
SEMIMETALS
SPIN
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Summary:Ferromagnetism was recently observed at unexpectedly high temperatures in La-doped CaB{sub 6} . The starting point of all theoretical proposals to explain this observation is a semimetallic electronic structure calculated for CaB{sub 6} within the local density approximation. Here we report the results of parameter-free quasiparticle calculations of the single-particle excitation spectrum which show that CaB{sub 6} is not a semimetal but a semiconductor with a band gap of 0.8{+-}0.1 eV . Magnetism in La{sub x}Ca {sub 1{minus}x}B{sub 6} occurs just on the metallic side of a Mott transition in the La-induced impurity band.
ISSN:0031-9007
1079-7114
DOI:10.1103/PhysRevLett.87.016401