Energy bands of a (110) iron thin film

We have performed a tight-binding calculation of the energy bands of a 29-layer (110) ferromagnetic iron thin film. The matrix parameters were obtained by fitting a bulk calculation of Tawil and Callaway with the diagonal surface matrix elements shifted by a constant amount to obtain surface charge neutrality. The energy bands were calculated at 117 points in the irreducible (one fourth) two-dimensional Brillouin zone. The planar and total densities of states are also reported and compared to previous results. A discussion of the surface states and energy bands is given and the structure of the energy bands is correlated to structure seen in the planar density of states and the effects of $s-d$ hybridization.