Electronic structure of the Kagomé lattice compound Rb 2Ni3S4

S. Nawai, K. Okazaki, Takashi Mizokawa, A. Fujimori, K. Hondou, Y. Fujiwara, K. Iio, M. Usuda, N. Hamada

Research output: Contribution to journalArticle

2 Citations (Scopus)

Abstract

We have studied the electronic structure of the layered Kogomé lattice compound Rb2Ni3S4 by photoemission spectroscopy and comparison of the results with band-structure and configuration-interaction cluster-model calculations. The band-structure calculation reproduced the gross features of the experimental spectra but could not reproduce the weak satellite feature, and predicted the narrow peak of Ni 3d character just below the Fermi level (EF) to be too strong. On the other hand, the cluster-model calculation assuming the low-spin (S = 0) ground state reproduced the satellite but failed to predict the same peak just below EF at the correct energy position. Angle-resolved photoemission measurements revealed momentum dispersions for the S 3p-derived and Ni 3d-S 3p hybridized bands, in agreement with the band-structure calculation, whereas the Ni 3d-derived band just below EF was found to be dispersionless, unlike the result of the band-structure calculation. We conclude that Rb2Ni3S4 is a moderately correlated, strongly p - d hybridized system.

Original languageEnglish
Article number045103
Pages (from-to)451031-451036
Number of pages6
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume69
Issue number4
Publication statusPublished - 2004 Jan
Externally publishedYes

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Electronic structure
Band structure
electronic structure
Satellites
photoelectric emission
Photoemission
Photoelectron spectroscopy
Fermi level
Dispersions
Ground state
Momentum
configuration interaction
momentum
ground state
spectroscopy
energy

ASJC Scopus subject areas

  • Condensed Matter Physics

Cite this

Nawai, S., Okazaki, K., Mizokawa, T., Fujimori, A., Hondou, K., Fujiwara, Y., ... Hamada, N. (2004). Electronic structure of the Kagomé lattice compound Rb 2Ni3S4. Physical Review B - Condensed Matter and Materials Physics, 69(4), 451031-451036. [045103].

Electronic structure of the Kagomé lattice compound Rb 2Ni3S4. / Nawai, S.; Okazaki, K.; Mizokawa, Takashi; Fujimori, A.; Hondou, K.; Fujiwara, Y.; Iio, K.; Usuda, M.; Hamada, N.

In: Physical Review B - Condensed Matter and Materials Physics, Vol. 69, No. 4, 045103, 01.2004, p. 451031-451036.

Research output: Contribution to journalArticle

Nawai, S, Okazaki, K, Mizokawa, T, Fujimori, A, Hondou, K, Fujiwara, Y, Iio, K, Usuda, M & Hamada, N 2004, 'Electronic structure of the Kagomé lattice compound Rb 2Ni3S4', Physical Review B - Condensed Matter and Materials Physics, vol. 69, no. 4, 045103, pp. 451031-451036.
Nawai S, Okazaki K, Mizokawa T, Fujimori A, Hondou K, Fujiwara Y et al. Electronic structure of the Kagomé lattice compound Rb 2Ni3S4. Physical Review B - Condensed Matter and Materials Physics. 2004 Jan;69(4):451031-451036. 045103.
Nawai, S. ; Okazaki, K. ; Mizokawa, Takashi ; Fujimori, A. ; Hondou, K. ; Fujiwara, Y. ; Iio, K. ; Usuda, M. ; Hamada, N. / Electronic structure of the Kagomé lattice compound Rb 2Ni3S4. In: Physical Review B - Condensed Matter and Materials Physics. 2004 ; Vol. 69, No. 4. pp. 451031-451036.
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