Band Theory for Ground-State Properties and Excitation Spectra of Perovskite(Mn, Fe, Co, Ni)
- 7 August 1995
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 75 (6), 1126-1129
- https://doi.org/10.1103/physrevlett.75.1126
Abstract
It is shown that the local spin-density approximation describes well electronic structures of perovskite ( Mn, Fe, Co, Ni) for the ground-state and single-electron excited-state properties. Inclusion of details of crystal structures distorted from the cubic structure is crucial to reproduce different magnetic structures and insulating states. Calculated x-ray photoemission spectra are in very good agreement with experimental ones, and its angular momentum characters are in conformity with ultraviolet photoemission spectra.
Keywords
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