Effect of the Spin-Orbit Interaction on the Electronic Structure, Magnetic Moment and Spin Density Maps of Co 2YSn (Y = Ti,V and Mn)

Abstract

We present a study on the effect of the spin‐orbit interaction on the electronic structure, magnetic moment and spin density maps in the (110) crystal plane for Co 2YSn (Y = Ti, V and Mn) compounds. Our calculations are performed using a self-consistent, full-potential, linearized augment ed plane wave (FPLAPW) method as implemented in Wein2k. The spin-orbit coupling is found to eliminate the spin-down gap in the Mn and Ti-containing allo ys and leads to non-integer total magnetic moments, i.e. impairs half-metallici ty.