Published in
American Physical Society, Physical Review B (Condensed Matter), 16(66), 2002
DOI: 10.1103/physrevb.66.165103
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Strong charge-transfer effects in the Mg2p−1core-level spectrum ofMgB2
Journal article published in 2002 by
N. V. Dobrodey,
A. I. Streltsov,
L. S. Cederbaum,
C. Villani,
F. Tarantelli 
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Abstract
The two available Mg 2p-1 core-level 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 B 2pz-->Mg 3s,3p charge transfer.