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

Shimada Kenya

Mizokawa Takashi

Mamiya Kazutoshi

Saitoh Tomohiko

Fujimori Atsushi

Ono Kanta

Kakizaki Akito

Ishii Takehiko

Shirai Masafumi

Kamimura Takashi

Physical Review B - Condensed Matter and Materials Physics

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.

eng

American Physical Society

Copyright (c) 1998 The American Physical Society.

[ISSN] 0163-1829

[DOI] 10.1103/PhysRevB.57.8845

[NCID] AA11187113

[DOI] http://dx.doi.org/10.1103/PhysRevB.57.8845