Where Are the Extra d Electrons in Transition-Metal Substituted Fe Pnictides - Condensed Matter > SuperconductivityReport as inadecuate




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Abstract: Transition-metal substitution in Fe pnictides leading to superconductivity isusually interpreted in terms of carrier doping to the system. We report on adensity functional calculation of the local substitute electron density anddemonstrate that substitutions like Co and Ni for Fe do not carrier dope butrather are isovalent to Fe. We find that the extra d electrons for Co and Niare almost totally located within the muffin-tin sphere of the substitutedsite. We suggest that Co and Ni act more like random scatterers scramblingmomentum space and washing out parts of the Fermi surface.



Author: H. Wadati, I. Elfimov, G. A. Sawatzky

Source: https://arxiv.org/







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