Browsing Physics (Scholarly Publications) by Subject "ab initio calculations"
Now showing items 1-2 of 2
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Spin filter effect of manganese phthalocyanine contacted with single-walled carbon nanotube electrodes.
(2010)We present a theoretical study of the spin transport through a manganese phthalocyanine (MnPc) molecule sandwiched between two semi-infinite armchair single-walled carbon nanotube (SWCNT) electrodes. Ab initio modeling is ... -
Sudden decay of indirect exchange coupling between magnetic atoms on carbon nanotubes
(2008)Indirect exchange coupling plays a central role in determining the magnetic order in systems composed of adsorbed magnetic moments on a metallic host. For low-dimensional metallic structures, such as nanotubes, this ...