By using non-equilibrium Green’s functions in combination with the density-functional theory, we study the effect of zigzag graphene nanoribbons with edge hydrogenation and oxidation on transport properties. We find that for the ferromagnetic (FM) configuration the ZGNRs with CH2-CH group exhibit spin diode effect in which only one spin can occur under positive bias while the other spin occurs ...

We construct the family of spin chain Hamiltonians, which have affine quantum group symmetry U q ˆ g. Their eigenvalues coincide with the eigen-values of the usual spin chain Hamiltonians, but have the degeneracy of levels, corresponding to affine U q ˆ g. The space of states of these spin chains is formed by the tensor product of fully reducible representations of quantum group. The fermionic ...

The character table of the double group of the icosahedral group, Ih 2 is derived. The correlation table for the rovibronic states as well as spin states both involving integral and half-integral spins are derived. It is shown that the spin states that correspond to half-integral and integral spins exhibit a cyclicity of 15 and 30, respectively, with respect to correlation into the double group...

Motivated by recent interest in novel spintronics effects, we develop a semiclassical theory of spin transport that is valid for spin-orbit coupled bands. Aside from the obvious convective term in which the average spin is transported at the wave packet group velocity, the spin current has additional contributions from the wave packet's spin and torque dipole moments. Electric field corrections...

We show that the canonical dimension cd Spin2n+1 of the spinor group Spin2n+1 has an inductive upper bound given by n + cd Spin2n−1. Using this bound, we determine the precise value of cd Spin n for all n ≤ 16 (previously known for n ≤ 10). We also obtain an upper bound for the canonical dimension of the semi-spinor group cd Spin∼ n in terms of cd Spin n−2. This bound determines cdSpin ∼ n for ...

The spin densities of the nitroxides H 2 N O , (CH 3 )HNO and (CH 3 ) 2 NO have been studied by iterative CI methods. Calculations at different geometries with various basis sets were performed. It is found that the spin distribution is delocalized within the N O group, and substitution of the hydrogen atoms on the nitroxyl group by methyl groups changes the spin distribution significantly. Ele...

in a typical solitonic distribution, the soliton density is distributed over the entire moleculeand the present work shows how its density can be decomposed into solitonic and antisolitoniccomponents. it is found that there exists a unique electron as soliton over the anionicnanoconductor, while there are many other solitons and antisolitons. the solitonic states are furtherdecomposed to the ca...