First-Principles Calculation of Spin Transport in Magnetic Nanowire Using Green's Function Method with Localized Basis Set
NATIONAL INST OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY TSUKUBA IBARAKI (JAPAN)
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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 Greens function method. We show a magnetoresistance of 250, which is explained by the scattering of d orbital channels.
- Physical Chemistry
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- Theoretical Mathematics