EFFECT OF K-SPACE INTEGRATION ON SELF-CONSISTENT SURFACE MAGNETIC-ANISOTROPY CALCULATIONS

We have performed self-consistent calculations of the magnetic anisotropy of a free-standing Rh monolayer as a function of the number of points sampled in the surface Brillouin zone (SBZ). The SBZ integration was performed using a Gaussian broadening scheme as well as three different triangular integration schemes. A triangle integration scheme which goes beyond the linear interpolation of the ordinary triangle scheme yields the fastest absolute convergence and small fluctuations.