Electronic structure of low-index surfaces in TiNi and its change under oxide layer growth

The electronic structure of transition-metal intermetallic compounds TiMe (Me = Fe, Co, Ni, Pd) and its change at surface, internal interfaces, grain boundaries as well as upon gas (hydrogen, oxygen) adsorption were investigated by the full-potential linearized augmented plane-waves method. The changes in the surface electronic structures for B19′–TiNi in comparison with those for B2-phase are discussed. The formation of titanium oxide layers on TiNi substrate is considered. A microscopic explanation of the local surface reactivity of alloys is given.