Experimental and theoretical band-structure studies of refractory metal silicides

The electronic structures of bulk refractory metal disilicides VSi2, TaSi2, and MoSi2 have been examined using photoelectron spectroscopy with synchrotron radiation. Photoelectron energy distribution curves measured for 9h140 eV show occupied bands (full width 12 eV) dominated by metal d-derived states within 3-4 eV of EF and by Si 3s- and 3p-derived features at higher binding energies. The V 3p, Mo 4p, Ta 5p, Ta 4f, and Si 2p coreemission features are also shown. Self-consistent band calculations for a series of cubic silicides MSi3, MSi, and M3Si (M denotes V or Mo) predict dominant metal d character within 5 eV of EF, Si s states centered at about - 10 eV, Si p states centered near - 5 eV, and substantial M-Si hybridization, in agreement with experiment. © 1981 The American Physical Society.