TY - JOUR
T1 - Electronic structure of Co1-xFexS2
AU - Umemoto, Koichiro
AU - Wentzcovitch, Renata M.
AU - Wang, Lan
AU - Leighton, Chris
PY - 2006/7
Y1 - 2006/7
N2 - 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.
AB - 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.
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U2 - 10.1002/pssb.200666821
DO - 10.1002/pssb.200666821
M3 - Article
AN - SCOPUS:33746403320
SN - 0370-1972
VL - 243
SP - 2117
EP - 2121
JO - Physica Status Solidi (B) Basic Research
JF - Physica Status Solidi (B) Basic Research
IS - 9
ER -