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) | - |
Number of pages | 4 |
Journal | Physical review letters |
Volume | 87 |
Issue number | 1 |
DOIs | |
Publication status | Published - 2001 |
Keywords
- METIS-128760
- IR-61276