CALCULATION OF CONDUCTIVITY IN THE PRESENCE OF STRUCTURAL DEFECTS - APPLICATION TO SPIN DEPENDENCE OF CONDUCTIVITY IN COBALT

Citation
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
Citations number
23
Categorie Soggetti
Physics, Condensed Matter
ISSN journal
01631829
Volume
56
Issue
14
Year of publication
1997
Pages
8970 - 8977
Database
ISI
SICI code
0163-1829(1997)56:14<8970:COCITP>2.0.ZU;2-Q
Abstract
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.