Layered antiferromagnetic structure in vanadium slabs》.pdfVIP

Surface Science 269/270 (1992) 643-647 surface science North-Holland Layered antiferromagnetic structure in vanadium slabs S. Bouarab, H. Nait-Laziz, C. D e m a n g e a t IPCMS, UMR46, Unu er~ad Louts Pasteur, 4 rue Blaise Pascal, 67070 Strasbourg, France A. Mokr ani Laboratoire de Physique du Sohde Th~onque, 2 rue de la HoussmtOre, 44072 Nantes, France a n d H. Dreyss6 Laboratotre de Phystque des Sohdes, BP 239, 54506 Vandoemre-les-Nancy, France Recetved 1 August 1991; accepted for publication 27 September 1991 Layered antlferromagnehc structure ~s obtained for unsupported vanadmm filras The magnetism ts described m the unre- stricted Hartrec-Fock approx]matmp of the Hubbard Hamdtoman for d electrons Within the recurslon method we show that the onset of antfferromagnet~sm depends strongly on the ciystallographlc tace~ mvesngated 1. Introduction smaller than the onc necessary to obtain ferro- magnetism [7]. Also. total energy calculation Hzine and Samson [1] have shown that the shows that the AF solution is more stable than middle of the transition-metal series have a the F one. For the unsupported V(001) mono- propensity towards antiferromagnetism. Moruzzi layer we obtain an AF and a F solution. As in the and Marcus [2], in a fully self-consistent scheme, bulk case, the AF solution appears for a J smaller have studied the antiferromagnetic behaviour of as compared to the F ones. Moreover, the AF the transition met