Where Are the Extra d Electrons in Transition-Metal Substituted Fe Pnictides?

Details Where Are the Extra d Electrons in Transition-Metal Substituted Fe Pnictides? Where Are the Extra d Electrons in Transition-Metal Substituted Fe Pnictides?

2010-03-13

arxiv.org/abs/1003.2663v3

Phys. Rev. Lett 105, 157004 (2010)

Physics

Condensed Matter

Superconductivity

4 pages, 5 figures

Scientific paper

10.1103/PhysRevLett.105.157004

Transition-metal substitution in Fe pnictides leading to superconductivity is usually interpreted in terms of carrier doping to the system. We report on a density functional calculation of the local substitute electron density and demonstrate that substitutions like Co and Ni for Fe do not carrier dope but rather are isovalent to Fe. We find that the extra d electrons for Co and Ni are almost totally located within the muffin-tin sphere of the substituted site. We suggest that Co and Ni act more like random scatterers scrambling momentum space and washing out parts of the Fermi surface.

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