THE ELECTRONIC-STRUCTURE AND MAGNETIC-PROPERTIES OF (100) SURFACE OF TIFE ALLOY

Ab initio self-consistent spin-polarized FLAPW calculations of the ele ctronic structure of the FeTi (100) surface have been performed. The s even-layer symmetrical film with the surface layer formed by atoms of Fe was considered. The data on distribution of electronic charge and s pin density in the unit cell, total local and partial densities of sta tes are presented. A high density of states in the first layer for spi n-down electrons due to highly localized surface states at Fermi level has been obtained The calculated value of work function is 4.46 eV. T he magnetic moment of the surface layer is 2.41 mu(B) and rapidly fall s off to the center of the film. The magnetic moments on Ti atoms are negative. (C) 1997 Elsevier Science Ltd.