Adsorption and dynamics of group IV, V atoms and molecular oxygen on semiconductor group IV (0 0 1) surfaces

Abstract

In this review we address (1) the co-adsorption of group V (As, Sb, Bi) atoms and molecular oxygen on the Si(0 0 1) surface and (2) the adsorption and dynamics of Sb, Bi, Si and Ge ad-dimers on the Si(0 0 1) and Ge(0 0 1) surfaces. The adsorption and diffusion processes of group IV and V atoms on the (0 0 1) surfaces of group IV semiconductor surfaces have been studied using multi-configuration self-consistent field methods and density functional theory calculations. Results obtained by various types of first-principle total energy calculations are mutually compared and discussed. Our results demonstrate the capability of these quantum chemistry methods to provide relevant and reliable information on the interaction between adsorbate and semiconductor surfaces.

On Some Important Results in Semiconductor Surface Science Obtained in Ukraine during the Independence Years (1991-2016)

“…The electronic and adsorption properties of lowindex facets of silicon and germanium with various ordering degrees were studied both experimentally and theoretically, as well as the formation of silicon interfaces with transition metals and elements of the fifth group of the Periodic system [39][40][41][42]. The methods of quantum chemical computer simulation were introduced, and an involved motion of adsorbed atoms and dimers, as well as the processes of nanostructure self-assembling on the Si(001) and Ge(100) surfaces, were analyzed [43,44].…”