Electronic structure of NiS_{1-x}Se_x

Details Electronic structure of NiS_{1-x}Se_x Electronic structure of NiS_{1-x}Se_x

2000-04-14

arxiv.org/abs/cond-mat/0004254v1

Physics

Condensed Matter

Strongly Correlated Electrons

To be published in Physical Review B, 18 pages and 5 figures

Scientific paper

10.1103/PhysRevB.61.16370

We investigate the electronic structure of the metallic NiS$_{1-x}$Se$_x$ system using various electron spectroscopic techniques. The band structure results do not describe the details of the spectral features in the experimental spectrum, even for this paramagnetic metallic phase. However, a parameterized many-body multi-band model is found to be successful in describing the Ni~2$p$ core level and valence band, within the same model. The asymmetric line shape as well as the weak intensity feature in the Ni~2$p$ core level spectrum has been ascribed to extrinsic loss processes in the system. The presence of satellite features in the valence band spectrum shows the existence of the lower Hubbard band, deep inside the $pd$ metallic regime, consistent with the predictions of the dynamical mean field theory.

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