The transport properties of a conjugated dipyrimidinyl-diphenyl diblock oligomer sandwiched between two gold electrodes, as recently reported by [Diez-Perez et al. Nature Chem. 1 635 （2009）], are theoretically investigated using the fully self-consistent nonequilibrium Green＇s function method combined with density functional theory. Two kinds of symmetrical anchoring geometries are considered. Calculated current-voltage curves show that the contact structure has a strong effect on the rectification behaviour of the molecular diode. For the equilateral triangle configuration, pronounced rectification behaviour comparable to the experimental measurement is revealed, and the theoretical analysis indicates that the observed rectification characteristic results from the asymmetric shift of the perturbed molecular energy levels under bias voltage. While for the tetrahedron configuration, both rectification and negative differential conductivity behaviours are observed. The calculated results further prove the close dependence of the transporting characteristics of molecular junctions on contact configuration.
A double T-shaped device model is constructed to investigate the spin polarized current injection and transportation properties in organic semiconductors.Based on the spin diffusion theory and Ohm’s law and considering the different charge-spin relationship of the special carriers in organic semiconductors,the current spin polarization has been obtained.Effects of the branch current ratio and the polaron proportion on the spin polarized current injection efficiency are studied.From the calculation,it is found that the improvement of the spin polarized current injection efficiency can be obtained by adjusting the branch current ratio;moreover,high polaron proportion in organic semiconductors is beneficial for obtaining high current spin polarization.
From experimental results of spin polarized injection and transport in organic semiconductors（OSCs）,we theoretically study the current spin polarization and magnetoresistance under an electric and a magnetic field in a ferromagnetic/organic semiconductor/ferromagnetic（FM/OSC/FM） sandwich structure according to the spin drift-diffusion theory and Ohm＇s law.From the calculations,it is found that the interfacial current spin polarization is enhanced by several orders of magnitude through tuning the magnetic and electric fields by taking into account the specific characteristics of OSC.Furthermore,the effects of the electric and magnetic fields on the magnetoresistance are also discussed in the sandwich structure.
From experimental results of spin polarized injection and transport in organic semiconductors(OSCs),we theoretically study the current spin polarization and magnetoresistance under an electric and a magnetic field in a ferromagnetic/organic semiconductor/ferromagnetic(FM/OSC/FM) sandwich structure according to the spin drift-diffusion theory and Ohm’s law.From the calculations,it is found that the interfacial current spin polarization is enhanced by several orders of magnitude through tuning the magnetic and electric fields by taking into account the specific characteristics of OSC.Furthermore,the effects of the electric and magnetic fields on the magnetoresistance are also discussed in the sandwich structure.
