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

N. V. Dobrodey·A. I. Streltsov·L. S. Cederbaum·C. Villani·F. Tarantelli
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Abstract

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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N. V. Dobrodey, A. I. Streltsov, L. S. Cederbaum, C. Villani, F. Tarantelli. 2002-07-24. Strong charge transfer effects in the Mg2p^{-1} core-level spectrum of MgB_2. https://doi.org/10.1103/physrevb.66.165103

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