In this paper a ?ve layer organic electronic device with alternately placed ferromagnetic metals and organic polymers: ferromagnetic metal/organic layer/ferromagnetic metal/organic layer/ferromagnetic metal, which is injected a spin-polarized electron from outsides, is studied theoretically using one-dimensional tight binding model Hamiltonian. We calculated equilibrium state behavior after an electron with spin is injected into the organic layer of this structure, charge density distribution and spin polarization density distribution of this injected spin-polarized electron, and mainly studied possible transport behavior of the injected spin polarized electron in this multilayer structure under di?erent external electric ?elds. We analyze the physical process of the injected electron in this multilayer system. It is found by our calculation that the injected spin polarized electron exists as an electron-polaron state with spin polarization in the organic layer and it can pass through the middle ferromagnetic layer from the right-hand organic layer to the left-hand organic layer by the action of increasing external electric ?elds, which indicates that this structure may be used as a possible spin-polarized charge electronic device and also may provide a theoretical base for the organic electronic devices and it is also found that in the boundaries between the ferromagnetic layer and the organic layer there exist induced interface local dipoles due to the external electric ?elds.

By using extended SSH Hamiltonian plus long-range electron correlation Hamiltonian model, we calculated charge injection and spin polarization in a ferromagnetic metal/polymer/ferromagnetic metal structure. We adjust relative chemical potential between the ferromagnetic materials and the polymer to control charge transfer. It is found that when spin orientations of two ferromagnetic materials are parallel to each other, spin-polarized single polaron can be formed in the polymer, but when the spin orientations of two ferromagnetic materials are antiparallel to each other, bipolaron is formed and that spin polarization is found to be zero inside the polymer. The in?uence of the long-range electronic correlation on these polarons in the polymer is discussed

A general formula of the long-range correlation energy Ec for the π electron systems is given, which includes diagonal interactions and off-diagonal interactions and we put forward to a correlation Hamiltonian at the first time. It is found that the effects of the off-diagonal interactions W and X on the correlation energies are opposite. The effect of W is to increase the correlation energies, but the effect of X is being counteracted by the integral term J due to |X|～|J |. The long-range correlation energies decrease with increasing the screening effect. At normal screening, the influence of W on the correlation energies can be neglected.

A general formula of long-range electron correlation energy in excited states ofπelectron systems is presented for the first time. Effect of excited states upon the long-range electron correlations, which are related to problems of exciton and polaron, is discussed. It is found that because charge density distributions are different for removal (addition) of an electron from (into) π electron system, the correlation energies of electron-type polaron and hole-type polaron are not the same even when the system tends to infinity.

The present study calculates correlation energies of the different length poly(pphenylenevinylene) (PPV) units using the formula recently developed for π conjugated polymers, and analyzes the correlation energies from the phenylene unit and the vinylene unit in single and three PPV unit cells as well as the effect of the correlation energies on the band energy gap of the PPV. The present method avoids the complicated numerical computations about the correlation effects for the π electronic conjugated molecule systems with large unit cells.

根據密度泛函理論，用自洽迭代的方法求解二維方形量子點中有雜質時電子（N=1～12）的薛定諤方程，對絕對零度情況下處于基態電子的總能量進行了數值計算，并討論了雜質對量子點中電子基態能量的影響，得出了方形量子點中多電子系統基態的一些性質。

The present study variationally calculates the ground state energy and the rst excited energy of an exciton in an ZnO flm in eective mass approximation. Change of the ground state energy, the rst excited energy of an exciton, and radius of the exciton with lm thickness are studied, as well as the correction due to the quantum tunneling of the exciton wave function through the lm.

This paper reports on ab initio numerical simulations of the effect of Co and Cu dopings on the electronic structure and optical properties of ZnO, pursued to develop diluted magnetic semiconductors vitally needed for spintronic applications. The simulations are based upon the Perdew-Burke-Enzerh generalized gradient approximation on the density functional theory. It is revealed that the electrons with energies close to the Fermi level effectively transfer only between Cu and Co ions which substitute Zn atoms, and are located in the neighbor sites connected by an O ion. The simulation results are consistent with the experimental observations that addition of Cu helps achieve stable ferromagnetism of Co-doped ZnO. It is shown that simultaneous insertion of Co and Cu atoms leads to smaller energy band gap, redshift of the optical absorption edge, as well as significant changes in the reflectivity, dielectric function, refractive index, and electron energy loss function of ZnO as compared to the doping with either Co or Cu atoms. These highly unusual optical properties are explained in terms of the computed electronic structure and are promising for the development of the next-generation room-temperature ferromagnetic semiconductors for future spintronic devices on the existing semiconductor micromanufacturing platform.