Strong charge transfer effects in the Mg2p-1 core-level spectrum of MgB2
N. V. Dobrodey, A. I. Streltsov, L. S. Cederbaum, C. Villani, F. Tarantelli
Abstract
The two available Mg2p-1 spectra of the recently discovered high-temperature superconducting MgB2 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 B2pz->Mg3s,3p charge transfer
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