First-Principles Calculation of Spin Transport in Magnetic Nanowire Using Green's Function Method with Localized Basis Set

摘要

We report ab-initio calculations of the spin-dependent transport and magnetoresistance of Ni atom wires. The electronic states are calculated using a numerical pseudo atomic orbital basis set in the frame work of the density functional theory, and the conductance is calculated using the Green's function method. We show a magnetoresistance of 250%, which is explained by the scattering of d orbital channels.