Physics – Condensed Matter
Scientific paper
2000-11-07
Phys. Rev. Lett. 87, 016401 (2001)
Physics
Condensed Matter
4 pages, 1 postscript figure
Scientific paper
10.1103/PhysRevLett.87.016401
Ferromagnetism was recently observed at unexpectedly high temperatures in La-doped CaB_6. The starting point of all theoretical proposals to explain this observation is a semimetallic electronic structure calculated for CaB_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_6 is not a semimetal but a semiconductor with a band gap of 0.8 eV. Magnetism in La_xCa_{1-x}B_6 occurs just on the metallic side of a Mott transition in the La-induced impurity band.
Bobbert P. A.
Brocks Geert
Gelderen van P.
Kelly Patrick J.
Tromp H. J.
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