J. Dorantesdavila et al., MAGNETIC-ANISOTROPY OF CLOSE-PACKED (111) ULTRATHIN TRANSITION-METAL FILMS - ROLE OF INTERLAYER PACKING, Physical review. B, Condensed matter, 55(22), 1997, pp. 15033-15042
The magnetic anisotropy of close-packed (111) ultrathin transition-met
al films is studied in the framework of a d-electron tight-binding Ham
iltonian which includes hopping, exchange, and spin-orbit interactions
on the same electronic level as well as the dipole-dipole energy cont
ributions. The role of the interlayer packing on the magneto-anisotrop
ic behavior is determined by considering fcc- and hcp-like films havin
g up to four layers. Using parameters corresponding to Fe, Co, and Ni
we perform self-consistent calculations from which the magnetic anisot
ropy energy (MAE) is obtained in a nonperturbative fashion as differen
ce between electronic energies. The role of the self-consistent determ
ination of the spin-polarized charge redistribution on the MAE is quan
tified by comparison with simpler constant-exchange-splitting calculat
ions. The spin and orbital magnetic moments and the MAE are analyzed a
s a function of him thickness, d-band filling, and d-electron exchange
splitting giving emphasis to the differences between fcc- and hcp-lik
e films. Finally, the main limitations of the model are pointed out to
gether with some relevant extensions.