The role of d states in Silicon - d0 metal compounds: the Silicon - Calcium case

Abstract

We present an experimental and theoretical study of the electronic properties of Ca silicides. The valence states of Ca2Si, CaSi and CaSi2 are analysed by synchrotron radiation photoemission experiments and interpreted in terms of a LMTO-ASA self-consistent calculation of the electronic states. We found evidence of a Ca d – Si p interaction, similar to that found in transition metal silicides. This interaction is responsible for the increasing number of occupied d states on increasing Si content

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