共查询到17条相似文献,搜索用时 218 毫秒
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苯环取代聚乙炔是一类具有简并基态的发光聚合物.利用扩展的SuSchriefferHeeger模型,研究了这类聚合物链中的孤子、极化子等元激发特性.结果表明:由于苯环与聚乙炔主链间的强π电子耦合,苯环取代抑制了聚乙炔主链的二聚化,减小了导带与价带之间的能隙;因此取代聚乙炔中的元激发具有较小的激发能,同时具有更大的相干长度.尽管苯基取代对元激发有很大的影响,但是非取代聚乙炔中元激发的基本物理规律依然成立,表明这些元激发的基本特性不受取代基团的影响
关键词:
孤子
极化子
苯基取代聚乙炔 相似文献
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测量了未掺杂的顺式聚乙炔(cis-polyacetylene)、反式聚乙炔(trans-polyacetylene)和部分氘代的反式聚乙炔样品的质子自旋晶格驰豫时间T1,测量了反式聚乙炔的旋转座标系中的质子自旋晶格弛豫时间T1ρ。结果表明,反式聚乙炔中确实存在大量被称为孤子(Soliton)的自旋中心,它们是质子弛豫的支配因素。孤子是可动的,但又是局域化的。用局域化的孤子模型,不仅说明了T1ρ过程的多指数型衰减,也解释了它的衰减速率不随温度和自旋锁定场强度而变化的特点。 相似文献
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电场作用下反式聚乙炔中孤子输运的数值计算 总被引:1,自引:0,他引:1
对于有电场存在下的反式聚乙炔单链中的孤子运动,用SSH模型引入电场项,通过数值计算,对孤子在电场下的运动规律进行了模拟.得到孤子在电场下沿链匀速运动的结论, 相似文献
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本文在苏武沛、Schrieffer和Heeger(SSH)模型的基础上,分别考虑site-type杂质势和Hubbard电子强关联的作用,计算了反式聚乙炔链的电子能谱、本征矢和序参量。结果发现,杂质势对孤子有较强的钉扎作用,它破坏了电子能谱对称性,并使midgap态发生移动,这与Hubbard电子强关联对孤子能级的影响根本不同。值得指出的是,只有同时考虑site-type杂质势和Hubbard相互作用,才能对聚乙炔的掺杂光吸收实验做出正确的理论解释。 相似文献
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从离散的SSH模型出发,考虑了链内的电子相互作用,以及由杂质和周围链上的荷电孤子产生的库仑势的影响,探讨了各种掺杂浓度的反式聚乙炔中孤子晶格的能谱与电子束缚态。计算结果表明:在孤子晶格的能谱中,在价带底有两条定域能级,在导带顶存在着多个电子束缚态,随掺杂浓度的升高,束缚态的局域性减弱,禁带中的孤子能级形成孤子能带。当掺杂浓度高达16.67%时,所有的电子束缚态都消失,转变为扩展态。孤子晶格的禁带宽度随着掺杂浓度的增加而增大,最高占据态与导带底之间的能隙则随之逐渐减小。孤子能带底与价带顶之间的能隙在临界浓度附近有一极大值。还讨论了电子-电子相互作用对孤子晶格能谱的影响。
关键词: 相似文献
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Positive muons were injected into both cis- and trans-polyacetylenes. From the various μSR measurements, the μ+ was found to form a radical state with an unpaired electron localized near μ+ in cis-polyacetylene, while in trans-polyacetylene it was found to be in a diamagnetic state. Combined with the observed H?1/2 dependence of the μ+ relaxation rate on the applied longitudinal field H in trans-polyacetylene, it was explained by the formation of soliton in trans-polyacetylene. Also the radical state was found to become unstable in iodine-doped polyacetylenes. An explanation is given with respect to the soliton model. 相似文献
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Electron spin-lattice relaxation rate Tl?1 has been measured at low frequencies 5–450 MHz in pristine trans-polyacetylene. Frequency dependence of Tl?1 gave dimensionality of diffusive motion of electron spins (neutral soliton). Relaxation mechanism was identified as dipolar and hyperfine origin based on an electron spin concentration dependence of Tl?1. 相似文献
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An unified treatment of the electronic structure of organic conjugated polymers based on a renormalization approach is presented. The changes in the electronic structures of trans-polyacetylene, poly-(p-phenylene), polypyrrole and polythiophene, brought about by the presence of polarons in these systems, are studied. For all systems, two localized states, which can be interpreted as the symmetric and antisymmetric combinations of soliton wavefunctions, are created at the central gap. 相似文献
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In order to understand the effect of disorder of impurities in doped trans-polyacetylene, we investigate the electronic states of trans-PA with random site-type impurities, especially, taken into account the Coulomb interaction between impurity ions. The randomness of impurity ions can obviously affect the electronic structures of trans-PA chain for the intermediate doping regime (y ≈ 4~8%). With increasing doping level, this in turn leads to widen the soliton band and narrow the band gap. Moreover, the upper gap will appear a maximum at the critical doping level (y ≈ 6%). In addition, when the doping concentration is larger than 12%, the random distribution of impurities tends to be uniform because of being concerned with the Coulomb interaction between ions. Meanwhile, the order parameter configuration indicates that it will appear soliton lattice. 相似文献
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在SSH哈密顿基础上引进电子关联,对反式聚乙炔链中光致激子的产生和演化过程实施分子动力学模拟。弱关联强度U取值0~1.250 eV,V =U/2取值0~0.625 eV .计算结果表明,关联强度的大小影响链中元激发类型,U<0.555eV时产生的元激发为孤子-反孤子对,U >0.555eV 时产生的元激发为正负荷电极化子对。为进一步讨论该类型一维系统中不同类型激子的产生、输运、衰减等动态过程,关联强度U的选择提供参考。 相似文献
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Behaviour of the quasi-one-dimensional Peierls insulator (PI) with a doubled lattice period (of the trans-polyacetylene type) is studied in the uniform electric field The electric field polarizes the insulator thus decreasing the gap Δ in the quasiparticle spectrum and creates by tunnelling charge carriers pairs. Depending on the field strength direct creation of soliton-antisoliton pairs or electron-hole pairs (e-h) takes place. The (e-h) pairs deform the lattice forming polarons. For the cis-type polyacetylene the superinsulator phase with soliton confinement exists. The latter is characterized by a great number of soliton-antisoliton quantum levels. Because of the charges generation the process of insulator-to-metal transition becomes continuous. 相似文献
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The lifetime of the soliton in the improved Davydov model at the biological temperature 300 K for protein molecules 总被引:7,自引:0,他引:7
Pang Xiao-feng 《The European Physical Journal B - Condensed Matter and Complex Systems》2001,19(2):297-316
We study the effects of quantum fluctuations and thermal perturbations on the lifetime of the soliton in the improved Davydov
model proposed by us with two-quanta and with an added interaction. By using quantum perturbation theory, we compute the soliton
lifetime for a wide ranges of parameter values relevant for protein molecules. The lifetime of the new soliton at the biological
temperature 300 K is of the order of 10-10 second or τ/τ≥ 500 for parameters appropriate to α-helical protein molecules. This shows clearly that the new soliton in the improved model
is a viable mechanism for the bio-energy transport in the α-helix region of proteins.
Received 7 January 1999 and Received in final form 16 August 2000 相似文献