Probing the role of co substitution in the electronic structure of iron pnictides

G. Levy; R. Sutarto; D. Chevrier; T. Regier; R. Blyth; J. Geck; S. Wurmehl; L. Harnagea; H. Wadati; T. Mizokawa; I. S. Elfimov; A. Damascelli; G. A. Sawatzky

doi:10.1103/PhysRevLett.109.077001

Probing the role of co substitution in the electronic structure of iron pnictides

G. Levy^*, R. Sutarto, D. Chevrier, T. Regier, R. Blyth, J. Geck, S. Wurmehl, L. Harnagea, H. Wadati, T. Mizokawa, I. S. Elfimov, A. Damascelli, G. A. Sawatzky

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

48 Citations (Scopus)

Abstract

The role of Co substitution in the low-energy electronic structure ofCa(Fe _0.944Co _0.056) ₂As ₂ is investigated by resonant photoemission spectroscopy and density-functional theory. The Co 3d state center of mass is observed at 250 meV higher binding energy than that of Fe, indicating that Co possesses one extra valence electron and that Fe and Co are in the same oxidation state.Yet, significant Co character is detected for the Bloch wave functions at the chemical potential, revealing that the Co 3d electrons are part of the Fermi sea determining the Fermi surface. This establishes the complex role of Co substitution in CaFe ₂As ₂ and the inadequacy of a rigid-band shift description.

Original language	English
Article number	077001
Journal	Physical Review Letters
Volume	109
Issue number	7
DOIs	https://doi.org/10.1103/PhysRevLett.109.077001
Publication status	Published - 2012 Aug 13
Externally published	Yes

ASJC Scopus subject areas

Physics and Astronomy(all)

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10.1103/PhysRevLett.109.077001

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title = "Probing the role of co substitution in the electronic structure of iron pnictides",

abstract = "The role of Co substitution in the low-energy electronic structure ofCa(Fe 0.944Co 0.056) 2As 2 is investigated by resonant photoemission spectroscopy and density-functional theory. The Co 3d state center of mass is observed at 250 meV higher binding energy than that of Fe, indicating that Co possesses one extra valence electron and that Fe and Co are in the same oxidation state.Yet, significant Co character is detected for the Bloch wave functions at the chemical potential, revealing that the Co 3d electrons are part of the Fermi sea determining the Fermi surface. This establishes the complex role of Co substitution in CaFe 2As 2 and the inadequacy of a rigid-band shift description.",

author = "G. Levy and R. Sutarto and D. Chevrier and T. Regier and R. Blyth and J. Geck and S. Wurmehl and L. Harnagea and H. Wadati and T. Mizokawa and Elfimov, {I. S.} and A. Damascelli and Sawatzky, {G. A.}",

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AU - Levy, G.

AU - Sutarto, R.

AU - Chevrier, D.

AU - Regier, T.

AU - Blyth, R.

AU - Geck, J.

AU - Wurmehl, S.

AU - Harnagea, L.

AU - Wadati, H.

AU - Mizokawa, T.

AU - Elfimov, I. S.

AU - Damascelli, A.

AU - Sawatzky, G. A.

PY - 2012/8/13

Y1 - 2012/8/13

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AB - The role of Co substitution in the low-energy electronic structure ofCa(Fe 0.944Co 0.056) 2As 2 is investigated by resonant photoemission spectroscopy and density-functional theory. The Co 3d state center of mass is observed at 250 meV higher binding energy than that of Fe, indicating that Co possesses one extra valence electron and that Fe and Co are in the same oxidation state.Yet, significant Co character is detected for the Bloch wave functions at the chemical potential, revealing that the Co 3d electrons are part of the Fermi sea determining the Fermi surface. This establishes the complex role of Co substitution in CaFe 2As 2 and the inadequacy of a rigid-band shift description.

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Probing the role of co substitution in the electronic structure of iron pnictides

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