Adsorption of Ne on alkali-metal surfaces studied with a density functional theory

SALVADOR ANDRÉS SARTARELLI; LESZEK SZYBISZ; IGNACIO URRUTIA

PHYSICAL REVIEW E

AMER PHYSICAL SOC

Lugar: New York; Año: 2009 vol. 79 p. 11603 - 11610

1539-3755

A density functional formalism is applied to investigate the wetting behavior of Ne adsorbed on planar substrates. The study is performed over the complete range of temperatures spanned from the triple point Tt up to the critical one Tc. For this purpose, an effective attractive pair potential was built on the basis of a separation procedure. This approach yields a good description of properties of the liquid-vapor interface at coexistence in the whole range of temperatures Tt<T<Tc. The adsorption of Ne on alkali metals and the alkaline-earth metal Mg is analyzed. This sequence of substrates exhibit increasing attractive strength leading to a variety of wetting situations throughout the interval (Tt,Tc). A comparison with experimental data and other microscopic calculations is done. The predictions of a simple model are discussed. For Ne/Rb we were able to resolve prewetting lines. Results obtained from a density functional are reported for Ne/K and Ne/Mg. In the case of the latter system the interesting behavior occurs close to Tt. According to our results, Ne wets surfaces of Na and Li, and this statement is in agreement with the whole picture of the analyzed substrates.