Soft X-ray emission spectra and the electronic structure of amorphous alloy hydrides

TLDR: In this paper, a low energy shoulder was observed at the bottom of the spectrum of zirconium (Zr 4d5s band) which is attributed to the formation of bonding states involving Zr 4D5s and H 1s states.

Abstract: To elucidate the bonding nature in hydrogenated transition metal alloy glasses, measurements were made of X-ray L3 emissions of the transition metals using an XMA analyser. Most of the investigations were performed using amorphous Zr0.65Pd0.35 and Zr0.67Ni0.33 ribbons. Hydrogen or deuterium was added to the ribbons by gas absorption at high pressure. The ratio of hydrogen (deuterium) to metal was 1.0. Upon hydrogenation a low energy shoulder developed at the bottom of the L3 spectrum of zirconium (Zr 4d5s band) which is attributable to the formation of bonding states involving Zr 4d5s and H 1s states. No such spectral changes occur in the L3 spectra of palladium and nickel. These results suggest that hydrogen atoms prefer to occupy the interstitial sites adjacent to zirconium rather than to palladium and nickel atoms to form Zr-H bonding states in the amorphous structures. The modification of band structures due to alloying and hydrogenation is discussed.