Surface magnetic moments and electronic structure of Cr(100), Fe(100), and Ni(100) near the Fermi level

Interfacial electronic structure and oxygen vacancy states in Fe/MgO/Fe tunneling junctions

“…Thus, the magnetic moment of the interface increases as compared with that of BCC Fe bulk. These values agree well with the surface local DOSs obtained for seven-layer Fe(1 0 0) films by FLAPW calculations of Ostroukhov et al[7]. Also those values agree well with the result of DFT calculations which obtained for Fe 9 [9 atomic layers]/Mg 1 O 1 [1 atomic layer] by Yu et al[8] and the experimental value by Miyokawa et al…”

A first-principles study of Cr impurities in iron

“…For 3 Cr layers the Cr moment (at the middle layer) increases slightly, which indicates a tendency to obtain enhanced moments with the increase of the thickness of the Cr layers. According to spin-polarized FLAPW calculations for Cr(100)/Fe layers the Cr moment decreases as going from the surface to inner layers [23]. However, as pointed out by the authors this is not an effect of a finite slab thickness, and the deviation relative to experimental results is a consequence of using the experimental bulk lattice constant.…”

Electronic and magnetic structure of the (001) surfaces of V, Cr, and V/Cr

“…On the Cr͑001͒ surface, in comparison to V, the debate about magnetism seems to be more settled. Experimental [26][27][28] and theoretical [28][29][30][31] investigations indicate that the surface is magnetic and that the magnetic moment is enhanced as compared to the bulk value. But even then LSDA calculations of the Cr͑001͒ surface seem to predict a somewhat too strongly enhanced magnetic moment of 2.5 B .…”