Abstract
The X-ray spectrum of beryllium in the region of the Raman band displays characteristic peaks, similar to the ones observed in graphite. An ab initio unrestricted Hartree—Fock cluster calculation is performed to investigate the bonding character of the electronic structure of beryllium and to identify the “anomalous” peaks. These peaks are found to be due to the 3 sp x P y −3 sp z splitting of the 3 ps hybridized band. A similar splitting of the 2 sp orbitals is responsible for the dip in the density of states curve at the Fermi level.
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