Physics – Condensed Matter – Mesoscale and Nanoscale Physics
Scientific paper
2011-11-14
Physics
Condensed Matter
Mesoscale and Nanoscale Physics
7 pages, 6 figures
Scientific paper
Electronic and spin transport properties of zigzag graphene nanoribbon (ZGNR) with alkali-, group-III and 3d-transition-metal adatoms on the hollow center are investigated by quasi-atomic minimal basis orbits (QUAMBOs), a first-principles tight binding (TB) scheme, combined with non-equilibrium Green's function (NEGF). QUAMBOs-TB parameters of carbon atoms in the middle scattering region are constructed by divide-and-conquer approach. It is found that the transmission is generally reduced by metal adatom, which can be well explained by the geometry of $\pi$-orbital and the corresponding interaction strength between $\pi$-orbital and metal adatom. Naturally, the transport at the Fermi level is not sensitive to metal adatom because of weak interaction between the localized edge state and metal adatom. Spin transport near the Fermi level is induced by Co, Fe and V adatom, and higher than 50% transmission spin polarization with a board energy window around 0.34eV, 0.36eV and 0.56eV respectively. Thereinto, a higher transmission of one spin state is originated from a less distortion of the corresponding $\pi$-orbital by metal adatom rather than high DOS of this spin state. Further the effect of the width of ZGNR on electronic and spin transport properties is discussed.
Ho Kai-Ming
Liu Xiaojie
Lu W. C.
Wang Cai-Zhuang
Yao Y. X.
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