Spin-integrated and spin-resolved photoemission study of Fe chalcogenides

K. Shimada, Takashi Mizokawa, K. Mamiya, T. Saitoh, A. Fujimori, K. Ono, A. Kakizaki, T. Ishii, M. Shirai, T. Kamimura

Research output: Contribution to journalArticle

44 Citations (Scopus)

Abstract

The electronic structures of the antiferromagnetic semiconductor FeS and ferrimagnetic metals Fe7S8 and Fe7Se8 have been studied by spin-integrated and spin-resolved photoemission spectroscopy and inverse-photoemission spectroscopy. The overall Fe 3d bandwidth in the photoemission spectra is 25-30 % narrower than the density of states (DOS) predicted by first-principles band-structure calculations and is accompanied by an intense tail on the high-binding-energy side, indicating the correlated nature of electrons in the Fe 3d band. Deviation from the band DOS is more significant in Fe7S8 than in Fe7Se8, and in the minority-spin spectra than in the majority-spin spectra. Cluster-model calculation for FeS has shown satellite structures at high binding energies, but the calculated spectral line shape is not in good agreement with experiment compared to the band DOS. By introducing a self-energy correction to the band DOS, we could explain the narrowing of the overall Fe 3d bandwidth and the high-binding-energy tail shape but not for the unusual broadening of the Fe 3d band within ∼ 1 eV of the Fermi level.

Original languageEnglish
Pages (from-to)8845-8853
Number of pages9
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume57
Issue number15
Publication statusPublished - 1998 Apr 15
Externally publishedYes

Fingerprint

Chalcogenides
chalcogenides
Photoemission
Binding energy
photoelectric emission
Photoelectron spectroscopy
Bandwidth
binding energy
Fermi level
Band structure
Electronic structure
Metals
Semiconductor materials
bandwidth
Electrons
minorities
spectroscopy
line spectra
line shape
Experiments

ASJC Scopus subject areas

  • Condensed Matter Physics

Cite this

Shimada, K., Mizokawa, T., Mamiya, K., Saitoh, T., Fujimori, A., Ono, K., ... Kamimura, T. (1998). Spin-integrated and spin-resolved photoemission study of Fe chalcogenides. Physical Review B - Condensed Matter and Materials Physics, 57(15), 8845-8853.

Spin-integrated and spin-resolved photoemission study of Fe chalcogenides. / Shimada, K.; Mizokawa, Takashi; Mamiya, K.; Saitoh, T.; Fujimori, A.; Ono, K.; Kakizaki, A.; Ishii, T.; Shirai, M.; Kamimura, T.

In: Physical Review B - Condensed Matter and Materials Physics, Vol. 57, No. 15, 15.04.1998, p. 8845-8853.

Research output: Contribution to journalArticle

Shimada, K, Mizokawa, T, Mamiya, K, Saitoh, T, Fujimori, A, Ono, K, Kakizaki, A, Ishii, T, Shirai, M & Kamimura, T 1998, 'Spin-integrated and spin-resolved photoemission study of Fe chalcogenides', Physical Review B - Condensed Matter and Materials Physics, vol. 57, no. 15, pp. 8845-8853.
Shimada, K. ; Mizokawa, Takashi ; Mamiya, K. ; Saitoh, T. ; Fujimori, A. ; Ono, K. ; Kakizaki, A. ; Ishii, T. ; Shirai, M. ; Kamimura, T. / Spin-integrated and spin-resolved photoemission study of Fe chalcogenides. In: Physical Review B - Condensed Matter and Materials Physics. 1998 ; Vol. 57, No. 15. pp. 8845-8853.
@article{601f8fd22b984410abf7272ec0250b20,
title = "Spin-integrated and spin-resolved photoemission study of Fe chalcogenides",
abstract = "The electronic structures of the antiferromagnetic semiconductor FeS and ferrimagnetic metals Fe7S8 and Fe7Se8 have been studied by spin-integrated and spin-resolved photoemission spectroscopy and inverse-photoemission spectroscopy. The overall Fe 3d bandwidth in the photoemission spectra is 25-30 {\%} narrower than the density of states (DOS) predicted by first-principles band-structure calculations and is accompanied by an intense tail on the high-binding-energy side, indicating the correlated nature of electrons in the Fe 3d band. Deviation from the band DOS is more significant in Fe7S8 than in Fe7Se8, and in the minority-spin spectra than in the majority-spin spectra. Cluster-model calculation for FeS has shown satellite structures at high binding energies, but the calculated spectral line shape is not in good agreement with experiment compared to the band DOS. By introducing a self-energy correction to the band DOS, we could explain the narrowing of the overall Fe 3d bandwidth and the high-binding-energy tail shape but not for the unusual broadening of the Fe 3d band within ∼ 1 eV of the Fermi level.",
author = "K. Shimada and Takashi Mizokawa and K. Mamiya and T. Saitoh and A. Fujimori and K. Ono and A. Kakizaki and T. Ishii and M. Shirai and T. Kamimura",
year = "1998",
month = "4",
day = "15",
language = "English",
volume = "57",
pages = "8845--8853",
journal = "Physical Review B-Condensed Matter",
issn = "0163-1829",
publisher = "American Institute of Physics Publising LLC",
number = "15",

}

TY - JOUR

T1 - Spin-integrated and spin-resolved photoemission study of Fe chalcogenides

AU - Shimada, K.

AU - Mizokawa, Takashi

AU - Mamiya, K.

AU - Saitoh, T.

AU - Fujimori, A.

AU - Ono, K.

AU - Kakizaki, A.

AU - Ishii, T.

AU - Shirai, M.

AU - Kamimura, T.

PY - 1998/4/15

Y1 - 1998/4/15

N2 - The electronic structures of the antiferromagnetic semiconductor FeS and ferrimagnetic metals Fe7S8 and Fe7Se8 have been studied by spin-integrated and spin-resolved photoemission spectroscopy and inverse-photoemission spectroscopy. The overall Fe 3d bandwidth in the photoemission spectra is 25-30 % narrower than the density of states (DOS) predicted by first-principles band-structure calculations and is accompanied by an intense tail on the high-binding-energy side, indicating the correlated nature of electrons in the Fe 3d band. Deviation from the band DOS is more significant in Fe7S8 than in Fe7Se8, and in the minority-spin spectra than in the majority-spin spectra. Cluster-model calculation for FeS has shown satellite structures at high binding energies, but the calculated spectral line shape is not in good agreement with experiment compared to the band DOS. By introducing a self-energy correction to the band DOS, we could explain the narrowing of the overall Fe 3d bandwidth and the high-binding-energy tail shape but not for the unusual broadening of the Fe 3d band within ∼ 1 eV of the Fermi level.

AB - The electronic structures of the antiferromagnetic semiconductor FeS and ferrimagnetic metals Fe7S8 and Fe7Se8 have been studied by spin-integrated and spin-resolved photoemission spectroscopy and inverse-photoemission spectroscopy. The overall Fe 3d bandwidth in the photoemission spectra is 25-30 % narrower than the density of states (DOS) predicted by first-principles band-structure calculations and is accompanied by an intense tail on the high-binding-energy side, indicating the correlated nature of electrons in the Fe 3d band. Deviation from the band DOS is more significant in Fe7S8 than in Fe7Se8, and in the minority-spin spectra than in the majority-spin spectra. Cluster-model calculation for FeS has shown satellite structures at high binding energies, but the calculated spectral line shape is not in good agreement with experiment compared to the band DOS. By introducing a self-energy correction to the band DOS, we could explain the narrowing of the overall Fe 3d bandwidth and the high-binding-energy tail shape but not for the unusual broadening of the Fe 3d band within ∼ 1 eV of the Fermi level.

UR - http://www.scopus.com/inward/record.url?scp=0000724044&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0000724044&partnerID=8YFLogxK

M3 - Article

AN - SCOPUS:0000724044

VL - 57

SP - 8845

EP - 8853

JO - Physical Review B-Condensed Matter

JF - Physical Review B-Condensed Matter

SN - 0163-1829

IS - 15

ER -