Valence-Band Structure Features of Nickel Disilicide Films

Abstract

The present paper reports the results of theoretical electronic structure study of nickel disilicide films. Such spectral characteristics as the total and local densities of electronic states, X‐ray emission‐band spectra of different series for all nonequivalent film atoms and photoemission spectra for series of quantum energies of exciting radiation were calculated. The calculation was carried out in terms of the film linearized augmented plane wave method. The comparison of theoretically obtained results with the known experimental data allowed to interpret the peculiarities of spectral properties of this material and in particular to explain qualitatively the transformation of L2,3 spectrum of silicon at the transition from the bulk sample to the thin film one.

Electronic structure of rhenium disilicides

“…The electronic structure of bulk crystals was calculated using the bulk method of linearized augmented plane-waves (LAPW) [15], and that of film structures, by means of the film LAPW [16] method. A brief description of the calculation procedures is given in [17][18][19].…”