Electronic structure of Co1-xFexS2

Koichiro Umemoto, Renata M. Wentzcovitch, Lan Wang, Chris Leighton

Research output: Contribution to journalArticlepeer-review

21 Scopus citations


We present a detailed DFT-based electronic structure calculation of Co 1-xFexS2, a model ferromagnetic system with tunable spin polarization, P. It is shown that the position of the Fermi level and the spin polarization can be controlled by x, the Fe concentration. We predict that for x = 0 the system has predominantly minority carriers corresponding to P = -75%. Upon doping to x = 0.25, the system becomes half-metallic with majority carriers, i.e., P = 100%. The high spin polarization in a wide range of x has been essentially confirmed experimentally.

Original languageEnglish (US)
Pages (from-to)2117-2121
Number of pages5
JournalPhysica Status Solidi (B) Basic Research
Issue number9
StatePublished - Jul 2006


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