Abstract
The electronic structure of pyrite-type has been investigated by photoemission spectroscopy. The Mn partial density of states was obtained from resonance photoemission experiments in the Mn 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 cluster, and parameter values for a model Hamiltonian were estimated eV, eV and eV). X-ray photoemission spectra of the Mn core level were also measured to confirm this assignment.
- Received 28 January 1998
DOI:https://doi.org/10.1103/PhysRevB.58.13491
©1998 American Physical Society