Strong charge transfer effects in the Mg2p^{-1} core-level spectrum of MgB_2

Physics – Condensed Matter – Strongly Correlated Electrons

Scientific paper

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11 pages, 2 figures

Scientific paper

10.1103/PhysRevB.66.165103

The two available Mg2p^{-1} spectra of the recently discovered high-temperature superconducting MgB_2 crystal exhibit interesting structures, but contradict each other. This motivated us to perform ab initio calculations on the core-level spectra of cluster models. The computed spectra reveal unusual rich and intense structures triggered by a B2p_z->Mg3s,3p charge transfer

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