Tc. Schulthess et al., CALCULATION OF CONDUCTIVITY IN THE PRESENCE OF STRUCTURAL DEFECTS - APPLICATION TO SPIN DEPENDENCE OF CONDUCTIVITY IN COBALT, Physical review. B, Condensed matter, 56(14), 1997, pp. 8970-8977
We present a technique which allows the efficient calculation of the e
lectrical conductivity of large systems which retain periodicity in on
ly two dimensions. We use this technique to calculate the nonlocal ele
ctrical conductivity of cobalt with stacking faults. These calculation
s use a realistic first-principles electronic structure and evaluate t
he conductivity using the Kubo-Greenwood formula with a phenomenologic
al electron lifetime. We find that the change in the electronic struct
ure induced by the stacking faults leads to an enhancement of the spin
dependence of the nonlocal electrical conductivity. A similar enhance
ment of the spin dependence of the conductivity is found when the crys
tal structure of Co is changed to hexagonal closed packed. The effect
can be traced back to the shape of the Fermi surface which is almost i
ndependent of the crystal structure in the majority channel but is str
ongly structure dependent in the minority channel.