Xie Shi-Jie

Giant Magnetoresistance in La0.67Ca0.33MnO3/Alq3/Co Sandwiched-Structure Organic Spin Valves

La0.67Ca0.33MnO3/Alq3/Co sandwiched-structure organic spin valves are fabricated by vacuum thermal evaporation method. A giant magnetoresistance (GMR) of 14% is observed at low temperature 100 K. At 30 K, the magnetoresistance can increase to 50%. The large GMR of the device is attributed to the high spin polarization and low conductivity of the La0.67Ca0.33MnO3 contact. The magnetoresistance ΔR/R and the coercive field of the Co electrode depend strongly on temperature. The large high-field magnetoresistance reported on La0.67Sr0.33MnO3/Alq3/Co organic spin valves [Nature 427 (2004) 821] is not observed in our La0.67Ca0.33MnO3/Alq3/Co organic spin valves.

Progress in organic spintronics

Recent progress in organic spintronics is given an informative overview, covering spin injection, detection, and transport in organic spin valve devices, and the magnetic field effect in organic semiconductors (OSCs). In particular, we focus on our own recent work in spin injection and the organic magnetic field effect (OMFE).

Reverse Polarization of a High-Energy Exciton in Conjugated Polymers

Polarization of a high-energy exciton in conjugated polymers is investigated theoretically by using an extended one-dimensional tight-binding Su—Schrieffer—Heeger (SSH) model. Under an external electric field, the reverse polarization of a high-energy exciton is obtained and the corresponding physical mechanism is analyzed. A critical field Ec is obtained, over which the polarization of the high-energy exciton will switch from negative to positive. In addition, by taking into account the effect of the non-degenerate confinement, we find that it is possible to realize reverse polarization through high energy photoexcitation in non-degenerate polymers.

Two-step dissociation of a polaron in conjugated polymers

We have studied the electric-field-driven motion of a polaron by solving the time-dependent Schrudinger equation nonadiabatically and the lattice equation of motion simultaneously. It is found that the polaron may experience two sequent transitions under high fields; one is the transition from the subsonic to the supersonic state, and the other from the supersonic to dissociated state. The acoustic mode is decoupled from the charge when the polaron moves at a speed faster than the sound speed, and then the optical mode is decoupled at the second transition to make the polaron dissociate completely.

Effect of Electric Field on Spin Polarized Current in Ferromagnetic/Organic Semiconductor Systems

Considering the special carriers in organic semiconductors, the spin polarized current under electric field in a ferromagnetic/organic semiconductor system is theoretically studied. Based on the spin-diffusion theory, the current spin polarization under the electric field is obtained. It is found that electric field can enhance the current spin polarization.

Ground state and polaron and bipolaron excited states in polydiacetylene

The electronic properties of ground state and charged excited states of non-degenerate polydiacetylene were investigated by means of a tight-binding model. The parameters of the model were obtained by comparison of the experimental and other theoretical results. It was found that there is a stable dimerized structure of polydiacetylene in ground state and the doping induces the nonlinear excitations, such as polarons and bipolarons. In order to compare the stability of polaron and bipolaron, the creation energy and binding energy were separately defined. By neglecting the electron-electron Coulomb interaction, a bipolaron is more stable than two independent polarons.

Reverse polarization in conjugated heterocycle polythiophene

Reverse polarization in polythiophene under an applied electric field has been studied in the framework of the tight-binding model. It is found that the applied electronic field has a great influence on the excited states of polythiophene. The effect of the heteroatoms on the polarization has been calculated and analysed carefully. It is indicated that a reverse polarization of biexcitons in polythiophene will be observed more easily. The heteroatoms increase this reversed polarization strength apparently.

Effect of interchain coupling on a biexciton in organic polymers

The effect of interchain coupling on the formation and the stability of a biexciton is studied in poly (p-phenylene vinylene) chains in the framework of the tight-binding approach. We obtain an intrachain exciton and biexciton as well as an interchain exciton and biexciton through a double-photon excitation. It is found that a biexciton is energetically favourable to two single excitons even when there exists an interchain coupling. There is a turnover value t⊥C of the interchain coupling for the formation of a biexciton, beyond which two excitons are combined into one biexciton. The binding energy of a biexciton is calculated to decrease with the increase of interchain coupling, which indicates that a biexciton is relatively stable in polymers with a weak interchain coupling. The conclusion is consistent with the experimental observations. In addition, a suggestion about how to improve the yielding efficiency or the formation of biexcitons in actual applications is given.

Charge Injection and Transport in Metal/Polymer Chains/Metal Sandwich Structure

Using the tight-binding Su–Schrieffer–Heeger model and a nonadiabatic dynamic evolution method, we study the dynamic processes of the charge injection and transport in a metal/two coupled conjugated polymer chains/metal structure. It is found that the charge interchain transport is determined by the strength of the electric field and the magnitude of the voltage bias applied on the metal electrode. The stronger electric field and the larger voltage bias are both in favour of the charge interchain transport.

Effects of Contact Atomic Structure on Electronic Transport in Molecular Junction

Based on nonequilibrium Greens function and first-principles calculations, we investigate the change in molecular conductance caused by different adsorption sites with the presence of additional Au atom around the metal-molecule contact in the system that benzene sandwiched between two Au(111) leads. The motivation is the variable situations that may arise in break junction experiments. Numerical results show that the enhancement of conductance induced by the presence of additional Au is dependent on the adsorption sites of anchoring atom. When molecule is located on top site with the presence of additional Au atoms, it can increase molecular conductance remarkably and present negative differential resistance under applied bias which cannot be found in bridge and hollow sites. Furthermore, the effects of different distance between additional Au and sulfur atoms in these three adsorption sites are also discussed.