Электронная структура объема и поверхности интерметаллических соединений GdY₂Si₂ (Y = Cu, Ag, Au)

Abstract

The results of ab initio study of the bulk and surface electronic structure of the GdY₂Si₂ compounds (Y = Cu, Ag, Au) are presented in this work. Our electronic band structure calculations have shown that the silicon-terminated surface of GdY₂Si₂ bears two distinct two-dimensional electron states, one being a Shockley surface state, and the other - a surface resonance. We demonstrate that the appearance of the surface resonance state is caused by a layered crystal structure of the GdY₂Si₂ compounds.