CaB6: A New Semiconducting Material for Spin Electronics

Tromp, H.J. and Gelderen van, P. and Kelly, P.J. and Brocks, G. and Bobbert, P.A. (2001) CaB6: A New Semiconducting Material for Spin Electronics. Physical Review Letters, 87 (1). 016401. ISSN 0031-9007

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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.
Item Type:	Article
Copyright:	© 2001 American Physical Society
Faculty:	Science and Technology (TNW)
Research Group:	Computational Materials Science (CMS)
Link to this item:	http://purl.utwente.nl/publications/61276
Official URL:	http://dx.doi.org/10.1103/PhysRevLett.87.016401
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