The electronic structure of pyrite-type (Formula presented) has been investigated by photoemission spectroscopy. The Mn (Formula presented) partial density of states was obtained from resonance photoemission experiments in the Mn (Formula presented) core excitation region. The experimental results were compared with a linear-muffin-tin-orbital atomic-sphere-approximation ab initiocalculation, and some discrepancy was found. To reveal a role of electron correlation, the results were analyzed in terms of the configuration-interaction model by considering a (Formula presented) cluster, and parameter values for a model Hamiltonian were estimated (Formula presented) eV, (Formula presented) eV and (Formula presented) eV). X-ray photoemission spectra of the Mn (Formula presented) core level were also measured to confirm this assignment.
|ジャーナル||Physical Review B - Condensed Matter and Materials Physics|
|出版ステータス||Published - 1998|
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