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2006年11月08日

【期刊论文】Electrical conductance of DNA molecules with varied density of itinerant π electrons

解士杰, Tuan Gao, Xue Fu, Liang-Mo Mei and Shi-Jie Xiea

J. Chem. Phys. 124, 234702 2006 ,-0001,():

-1年11月30日

摘要

The electrical transport of DNA is closely related to the density of itinerant π electrons because of the strong electron-lattice interaction. The resistivities of two typical DNA molecules [poly(dG)-poly(dC) and λ-DNA] with varied densities of itinerant π electrons are calculated. It is found that the dependence of the resistivity on the density of itinerantπelectrons is symmetrical about the half-filling state of itinerant π electrons in poly(dG)-poly(dC). At the half-filling state, the Peierls phase transition takes place and poly(dG)-poly(dC) has a large resistivity. When the density of itinerant π electrons departs far from the half-filling state, the resistivity of poly(dG)-poly(9dC) becomes small. Forλ-DNA, there is no Peierls phase transition due to the aperiodicity of its base pair arrangement. The resistivity of poly(dG)-poly(dC) decreases with increasing length of the molecular chain, but the resistivity of λ-DNA increases with increasing length. The conducting mechanisms for poly(dG)-poly(dC) and a few λ-DNA molecules with varied densities of itinerantπelectrons are analyzed.

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2006年11月08日

【期刊论文】Effect of atomic disorder or chain length on the stability of photoinduced polarization inversion

解士杰, Lu-xia Wang, a), De-sheng Liu, Jian-hua Wei, Shi-jie Xie, Sheng-hao Han, and Liang-mo Mei

J. Chem. Phys., Vol. 116, No. 15, 15 April 2002,-0001,():

-1年11月30日

摘要

The effect of atomic disorder or chain length on the stability of photoinduced polarization inversion has been studied. The atomic disorder was simulated by square-random or Gaussian-random model. It was found that for the square-random distribution case, photoinduced polarization inversion remains steadily when atomic disorder is less than 1 8a-a is the lattice constant of polyacetylene, the reversion polarization disappears and gets into normal polarized state when the disorder is stronger than over 1 8a. The reason of a normal polarization resulted from the strong lattice disorder was discussed. The relationship between the reverse polarization of biexciton state and the confinement constant te as well as the variation of chain length was also studied.

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2006年11月08日

【期刊论文】Dynamics of charge injection into an open conjugated polymer: A nonadiabatic approach

解士杰, Ji-yong Fu, Jun-feng Ren, Xiao-jing Liu, De-sheng Liu, and Shi-jie Xie*

PHYSICAL REVIEW B 73, 195401 2006 ,-0001,():

-1年11月30日

摘要

The dynamic process of charge injection is investigated for an open conjugated polymer chain in contact with a metal electrode in the framework of a nonadiabatic approach. It is found that the injected charges form wave packets due to the strong electron-lattice interactions in the conjugated polymer. A wave packet may contain any quantity of charges up to two electronic units, which depends upon the injection condition. As the system is spin degenerate within the present model, a wave packet has no spin. Discrete energy levels will appear in the gap accompanying the wave packet, which results in potential asymmetry of the charge injection and ejection between the metal electrode and the polymer. The asymmetry can be used to explain the electrical hysteresis in organic devices. It is found that there exists an upper critical field or forming field, beyond which the injected charges could not form a wave packet. Under a strong driving electric field, it is also found that a wave packet will dissociate into an extended state. The dependence of the dissociating field on the charge quantity a wave packet contains is studied.

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2006年11月08日

【期刊论文】Effect of boundary conditions on SDW and CDW in organic ferromagnetic chains

解士杰, J. Xie, J. Q. Zhao, J. H. Wei, S. G. Wang, L. M. Mei and S. H. Han

Europhys. Lett., 50 (5), pp. 635-641 (2000),-0001,():

-1年11月30日

摘要

Effect of sizes and dimensions on the spin density wave (SDW) and charge density wave (CDW) in organic ferromagnets was studied. It was found that the stable ferromagnetic state obtained in a closed ring with periodic boundary conditions would become unstable in an open chain due to the effect of chain ends. There was a competition between the spin-spin (s-s) couplings and the electron-electron (e-e) interactions for the formation of SDW and CDW in the main chain. Interchain couplings would strengthen SDW. It was suggested that the onedimensional model should be improved to understand the organic magnetism well.

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2006年11月08日

【期刊论文】Spin-polarized current in a ferromagnetic/organic system

解士杰, J. F. Ren, J. Y. Fu, D. S. Liu, L. M. Mei, and S. J. Xiea

J. Appl. Phys. 98, 074503 (2005),-0001,():

-1年11月30日

摘要

Spin-polarized current through a ferromagnetic/organic interface was studied theoretically. This study was stimulated by recent experiments on La1−xSrxMnO3 /Alq3/Co and La1−xSrxMnO3/sexithienyl/La1−xSrxMnO3 structures. According to the spin-diffusion equation, the current spin polarization was obtained by assuming that spin polarons as well as spinless bipolarons to be the carriers in the organic semiconductor. It was found that polarons are the effective spin carriers of a spin-polarized current, even though they constitute only a fraction of all carriers. Effects of interfacial electrochemical-potential difference and conductivity matching on spin polarization of the current are discussed.

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    山东大学,山东

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