On the coverage dependence of chemisorption characteristics on metals

Autor: R. Cardenas, V. K. Fedyanin, G.M. Gavrilenko
Rok vydání: 1989
Předmět:
Zdroj: Surface Science. 217:468-488
ISSN: 0039-6028
DOI: 10.1016/0039-6028(89)90442-1
Popis: Within the composite Anderson-Ising Hamiltonian the coverage dependence of chemisorption characteristics like the chemisorption energy, the electron charge and magnetic moment localized at impurities (adsorbed atoms) and the impurity electron density of states are investigated. Calculations are carried out within the self-consistent unrestricted Hartree-Fock scheme for the electron component and within the Bragg-Williams approximation for the ionic adsorbate component. The dependence of the magnetic phase transition on the coverage is obtained. It is interpreted as a second-order phase transition with critical exponent s = 1 2 . The crossover problem in the phase space of the model parameters is also discussed.
Databáze: OpenAIRE