Electronic structure of Cr Silicides and Si-Cr interface reactions

We present synchrotron radiation photoemission studies of bulk CrSi2 and silicide phases grown on Si by thermal processing of the Si-Cr interface. Experiment shows that Si-Cr interface formation at room temperature results in reacted phases that differ from both bulk CrSi2 and in situ—grown Si-rich CrSi2. Extended—Hückel-theory linear combination of atomic orbitals calculations of the density of states of Cr3Si, CrSi, and CrSi2 show that Si—Cr bond formation involves Si p and Cr d states with minimal charge transfer.