Metal-nonmetal transition in NiS induced by Fe and Co substitution: X-ray-absorption spectroscopic study

M. Nakamura, A. Fujimori, M. Sacchi, J. C. Fuggle, A. Misu, T. Mamori, H. Tamura, M. Matoba, S. Anzai

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Abstract

In order to reveal the microscopic origin of the metal-nonmetal transition in NiS, we have studied the Ni 2p x-ray-absorption spectra of substituted systems Ni1-xMxS (M=Fe,Co), whose transition temperature Tt varies from 500 K (Ni0.5Fe0.5S) to below 4 K (Ni0.94Co0.06S). Spectra taken at room temperature have been analyzed using a configuration-interaction cluster model to deduce changes in the electronic structure parameters, namely, the S-3p-to-Ni-3d charge-transfer energy and the Ni-3dS-3p transfer integral T. We find that Fe substitution does not increase the local Ni-S distance as would be expected from the lattice parameters but affects energy levels as is reflected in . The changes in and T derived from the cluster-model analysis explain the increase in the charge-transfer-type band gap in Ni1-xFexS and hence the increase in Tt within the cluster model, whereas they do not explain the decrease in Tt in Ni1-xCoxS. In order to explain the dramatic decrease in Tt with Co substitution, we propose that the Ni-3dCo-3d hybridization increases the bandwidths leading to the closure of the band gap.

Original languageEnglish
Pages (from-to)16942-16947
Number of pages6
JournalPhysical Review B
Volume48
Issue number23
DOIs
Publication statusPublished - 1993 Jan 1

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ASJC Scopus subject areas

  • Condensed Matter Physics

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Nakamura, M., Fujimori, A., Sacchi, M., Fuggle, J. C., Misu, A., Mamori, T., Tamura, H., Matoba, M., & Anzai, S. (1993). Metal-nonmetal transition in NiS induced by Fe and Co substitution: X-ray-absorption spectroscopic study. Physical Review B, 48(23), 16942-16947. https://doi.org/10.1103/PhysRevB.48.16942