Abstract
Ferromagnetism was recently observed at unexpectedly high temperatures in La-doped CaB6. The starting point of all theoretical proposals to explain this observation is a semimetallic electronic structure calculated for CaB6 within the local density approximation. Here we report the results of parameter-free quasiparticle calculations of the single-particle excitation spectrum which show that CaB6 is not a semimetal but a semiconductor with a band gap of 0.8¿0.1 eV. Magnetism in LaxCa1-xB6 occurs just on the metallic side of a Mott transition in the La-induced impurity band.
| Original language | English |
|---|---|
| Article number | 016401 |
| Pages (from-to) | 016401-1/4 |
| Number of pages | 4 |
| Journal | Physical Review Letters |
| Volume | 87 |
| Issue number | 1 |
| DOIs | |
| Publication status | Published - 2001 |