Core-hole effects in the x-ray absorption spectra of transition-metal silicides

摘要: We report systematic differences between the shape of Si K x-ray-absorption spectra transition-metal silicides and broadened partial densities p states. use a variety calculations to show that origin these discrepancies is core-hole potential appropriate final state. The effects can be successfully described by ab initio supercell which explicitly include presence hole in excited A Clogston-Wolff model, with ground-state states at site ionized as input data, also describe effect found useful tool for understanding effects.