Electronic structure of LaFeAsO1-xFx from x-ray absorption spectroscopy

T. Kroll; S. Bonhommeau; T. Kachel; H. A. Duerr; J. Werner; G. Behr; A. Koitzsch; R. Huebel; S. Leger; R. Schoenfelder; A. K. Ariffin; R. Manzke; F. M. F. de Groot; J. Fink; H. Eschrig; B. Buechner; M. Knupfer

doi:10.1103/PhysRevB.78.220502

Electronic structure of LaFeAsO1-xFx from x-ray absorption spectroscopy

T. Kroll^*, S. Bonhommeau, T. Kachel, H. A. Duerr, J. Werner, G. Behr, A. Koitzsch, R. Huebel, S. Leger, R. Schoenfelder, A. K. Ariffin, R. Manzke, F. M. F. de Groot, J. Fink, H. Eschrig, B. Buechner, M. Knupfer

^*Corresponding author for this work

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

Abstract

We investigated the recently found superconductor LaFeAsO1-xFx by x-ray absorption spectroscopy. From a comparison of the O K edge with LDA calculations we find good agreement and are able to explain the structure and changes in the spectra with electron doping. From experimental Fe L-2,L-3-edge spectra and charge-transfer multiplet calculations we gain further information on important physical values such as the hopping parameters, the charge-transfer energy Delta, and the Hubbard U. Furthermore we find the system to be very covalent with a large amount of ligand holes. A shift in the chemical potential is visible in the O K- and Fe L-2,L-3-edge spectra which emphasizes the importance of band effects in these compounds. From the entirety of our results we conclude that LaFeAsO is a bandwidth-dominated material.

Original language	English
Article number	220502
Number of pages	4
Journal	Physical review. B, Condensed matter and materials physics
Volume	78
Issue number	22
DOIs	https://doi.org/10.1103/PhysRevB.78.220502
Publication status	Published - Dec 2008

Funding

This investigation was supported by the DFG (Contracts No. SFB 463 and No. KR 3611/1-1) and DFG priority program (Contract No. SPP1133).

Keywords

charge exchange
chemical potential
Fermi level
high-temperature superconductors
Hubbard model
iron compounds
lanthanum compounds
superconducting materials
X-ray absorption spectra
LAYERED SUPERCONDUCTOR LAO0.9F0.1-DELTA-FEAS
43 K
COMPOUND
GAP

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Kroll, T., Bonhommeau, S., Kachel, T., Duerr, H. A., Werner, J., Behr, G., Koitzsch, A., Huebel, R., Leger, S., Schoenfelder, R., Ariffin, A. K., Manzke, R., de Groot, F. M. F., Fink, J., Eschrig, H., Buechner, B., & Knupfer, M. (2008). Electronic structure of LaFeAsO1-xFx from x-ray absorption spectroscopy. Physical review. B, Condensed matter and materials physics, 78(22), Article 220502. https://doi.org/10.1103/PhysRevB.78.220502

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title = "Electronic structure of LaFeAsO1-xFx from x-ray absorption spectroscopy",

abstract = "We investigated the recently found superconductor LaFeAsO1-xFx by x-ray absorption spectroscopy. From a comparison of the O K edge with LDA calculations we find good agreement and are able to explain the structure and changes in the spectra with electron doping. From experimental Fe L-2,L-3-edge spectra and charge-transfer multiplet calculations we gain further information on important physical values such as the hopping parameters, the charge-transfer energy Delta, and the Hubbard U. Furthermore we find the system to be very covalent with a large amount of ligand holes. A shift in the chemical potential is visible in the O K- and Fe L-2,L-3-edge spectra which emphasizes the importance of band effects in these compounds. From the entirety of our results we conclude that LaFeAsO is a bandwidth-dominated material.",

keywords = "charge exchange, chemical potential, Fermi level, high-temperature superconductors, Hubbard model, iron compounds, lanthanum compounds, superconducting materials, X-ray absorption spectra, LAYERED SUPERCONDUCTOR LAO0.9F0.1-DELTA-FEAS, 43 K, COMPOUND, GAP",

author = "T. Kroll and S. Bonhommeau and T. Kachel and Duerr, {H. A.} and J. Werner and G. Behr and A. Koitzsch and R. Huebel and S. Leger and R. Schoenfelder and Ariffin, {A. K.} and R. Manzke and {de Groot}, {F. M. F.} and J. Fink and H. Eschrig and B. Buechner and M. Knupfer",

year = "2008",

month = dec,

doi = "10.1103/PhysRevB.78.220502",

language = "English",

volume = "78",

journal = "Physical review. B, Condensed matter and materials physics",

issn = "1098-0121",

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Kroll, T, Bonhommeau, S, Kachel, T, Duerr, HA, Werner, J, Behr, G, Koitzsch, A, Huebel, R, Leger, S, Schoenfelder, R, Ariffin, AK, Manzke, R, de Groot, FMF, Fink, J, Eschrig, H, Buechner, B & Knupfer, M 2008, 'Electronic structure of LaFeAsO1-xFx from x-ray absorption spectroscopy', Physical review. B, Condensed matter and materials physics, vol. 78, no. 22, 220502. https://doi.org/10.1103/PhysRevB.78.220502

TY - JOUR

T1 - Electronic structure of LaFeAsO1-xFx from x-ray absorption spectroscopy

AU - Kroll, T.

AU - Bonhommeau, S.

AU - Kachel, T.

AU - Duerr, H. A.

AU - Werner, J.

AU - Behr, G.

AU - Koitzsch, A.

AU - Huebel, R.

AU - Leger, S.

AU - Schoenfelder, R.

AU - Ariffin, A. K.

AU - Manzke, R.

AU - de Groot, F. M. F.

AU - Fink, J.

AU - Eschrig, H.

AU - Buechner, B.

AU - Knupfer, M.

PY - 2008/12

Y1 - 2008/12

N2 - We investigated the recently found superconductor LaFeAsO1-xFx by x-ray absorption spectroscopy. From a comparison of the O K edge with LDA calculations we find good agreement and are able to explain the structure and changes in the spectra with electron doping. From experimental Fe L-2,L-3-edge spectra and charge-transfer multiplet calculations we gain further information on important physical values such as the hopping parameters, the charge-transfer energy Delta, and the Hubbard U. Furthermore we find the system to be very covalent with a large amount of ligand holes. A shift in the chemical potential is visible in the O K- and Fe L-2,L-3-edge spectra which emphasizes the importance of band effects in these compounds. From the entirety of our results we conclude that LaFeAsO is a bandwidth-dominated material.

AB - We investigated the recently found superconductor LaFeAsO1-xFx by x-ray absorption spectroscopy. From a comparison of the O K edge with LDA calculations we find good agreement and are able to explain the structure and changes in the spectra with electron doping. From experimental Fe L-2,L-3-edge spectra and charge-transfer multiplet calculations we gain further information on important physical values such as the hopping parameters, the charge-transfer energy Delta, and the Hubbard U. Furthermore we find the system to be very covalent with a large amount of ligand holes. A shift in the chemical potential is visible in the O K- and Fe L-2,L-3-edge spectra which emphasizes the importance of band effects in these compounds. From the entirety of our results we conclude that LaFeAsO is a bandwidth-dominated material.

KW - charge exchange

KW - chemical potential

KW - Fermi level

KW - high-temperature superconductors

KW - Hubbard model

KW - iron compounds

KW - lanthanum compounds

KW - superconducting materials

KW - X-ray absorption spectra

KW - LAYERED SUPERCONDUCTOR LAO0.9F0.1-DELTA-FEAS

KW - 43 K

KW - COMPOUND

KW - GAP

U2 - 10.1103/PhysRevB.78.220502

DO - 10.1103/PhysRevB.78.220502

M3 - Article

SN - 1098-0121

VL - 78

JO - Physical review. B, Condensed matter and materials physics

JF - Physical review. B, Condensed matter and materials physics

IS - 22

M1 - 220502

ER -

Electronic structure of LaFeAsO1-xFx from x-ray absorption spectroscopy

Abstract

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