Unusual superexchange pathways in an NiS2 triangular lattice with negative charge-transfer energy

K. Takubo, Takashi Mizokawa, J. Y. Son, Y. Nambu, S. Nakatsuji, Y. Maeno

Research output: Contribution to journalArticle

26 Citations (Scopus)

Abstract

We have studied the electronic structure of the Ni triangular lattice in NiGa2S4 using photoemission spectroscopy and subsequent model calculations. The cluster-model analysis of the Ni 2p core-level spectrum shows that the S 3p to Ni 3d charge-transfer energy is ∼-1eV and the ground state is dominated by the d9L configuration (L is a S 3p hole). Cell perturbation analysis for the NiS2 triangular lattice indicates that the strong S 3p hole character of the ground state provides the enhanced superexchange interaction between the third-nearest-neighbor sites.

Original languageEnglish
Article number037203
JournalPhysical Review Letters
Volume99
Issue number3
DOIs
Publication statusPublished - 2007 Jul 19
Externally publishedYes

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charge transfer
ground state
photoelectric emission
electronic structure
perturbation
energy
configurations
cells
spectroscopy
interactions

ASJC Scopus subject areas

  • Physics and Astronomy(all)

Cite this

Unusual superexchange pathways in an NiS2 triangular lattice with negative charge-transfer energy. / Takubo, K.; Mizokawa, Takashi; Son, J. Y.; Nambu, Y.; Nakatsuji, S.; Maeno, Y.

In: Physical Review Letters, Vol. 99, No. 3, 037203, 19.07.2007.

Research output: Contribution to journalArticle

Takubo, K. ; Mizokawa, Takashi ; Son, J. Y. ; Nambu, Y. ; Nakatsuji, S. ; Maeno, Y. / Unusual superexchange pathways in an NiS2 triangular lattice with negative charge-transfer energy. In: Physical Review Letters. 2007 ; Vol. 99, No. 3.
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