共查询到16条相似文献,搜索用时 156 毫秒
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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。
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一维双原子链中杂质的局域振动 总被引:2,自引:0,他引:2
讨论了一维双原子链中杂质的局域振动,对杂质原子替代大原子和替代小原子的情况进行了分析,分别得到这两种情况下的高频模和隙模的频率。 相似文献
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利用变分近似及基于Gross-Pitaevskii方程的直接数值模拟方法,研究了自旋-轨道耦合玻色-爱因斯坦凝聚体中线性塞曼劈裂对亮孤子动力学的影响,发现线性塞曼劈裂将导致体系具有两个携带有限动量的静态孤子,以及它们在微扰下存在一个零能的Goldstone激发模和一个频率与线性塞曼劈裂有关的谐振激发模.同时给出了描述孤子运动的质心坐标表达式,发现线性塞曼劈裂明显影响孤子的运动速度和振荡周期. 相似文献
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从拓展紧束缚模型出发,研究了链间耦合对反式聚乙炔多链体系中电子极化子再激发态的晶格位形、净电荷密度、局域能级波函数和态密度的影响。结果发现:对于两条链体系,当链间耦合很小(eV)时,注入到系统中的电子只会在第一条链上诱发产生一个晶格缺陷,形成电子极化子再激发态,这和单链体系是一致,而第二条链仍是二聚化基态。随着链间耦合的增大,第一条链上缺陷的局域度减少而第二条链上的缺陷局域度相应增加,直至两条链上的位形相同。对于多条链(5条链和6条链)体系,当耦合很小(0.05eV)时,电子极化子再激发态也只会存在于一条链上,当链间耦合较强时,极化子再激发态会在链间层次性地扩展开来,并不会出现多条链位形相同。从两条链的能级图上可以看到随着链间耦合的增大,体系的带隙不断的增大和电子态密度显示的是完全吻合的,体系的导电性减弱。通过分析两条链体系在eV和eV的能级态密度,发现链间耦合越强,则中间局域能级的态密度越小,最后没有中间局域态。 相似文献
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The effects of interchain coupling have been studied on the localized vibrational modes around a soliton in doped and photoexcited samples of trans-(CH)x by using an extension of the SSH model in which two neighboring chains modeled individually by SSH Hamiltonian and coupled by an interchain electronic transfer term are considered. The electronic pinning is also included within this model. The localized modes obtained in the SSH model are split and their frequencies are shifted after turning on the interchain coupling. Furthermore, our result can account for the three strong infrared lines at 900, 1260 and 1370 cm?1 along with a weaker peak at 1150 cm? r in the optical absorption spectra of lightly doped samples. 相似文献
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采用拓展紧束缚Su-Schrieffer-Heeger(SSH)模型,研究了链间耦合对反式聚乙炔多链体系中电子极化子再激发态的晶格位形、净电荷密度、局域能级波函数和态密度的影响.结果发现:对于两条链体系,当链间耦合很小(t⊥≤0.01 e V)时,注入到系统中的电子只会在第一条链上诱发产生一个晶格缺陷,形成电子极化子再激发态,这和单链体系是一致,而第二条链仍是二聚化基态.随着链间耦合的增大,第一条链上缺陷的局域度减少而第二条链上的缺陷局域度相应增加,直至两条链上的位形相同;对于多条链(5条链和6条链)体系,当耦合很小(t⊥≤0.05 e V)时,电子极化子再激发态也只会存在于一条链上,当链间耦合较强时,极化子再激发态会在链间层次性地扩展开来,并不会出现多条链位形相同;从两条链的能级图上可以看到随着链间耦合t⊥的增大,体系的带隙不断的增大和电子态密度显示的是完全吻合的,体系的导电性减弱.通过分析两条链体系在t⊥=0 e V和t⊥=0.1 e V的能级态密度,发现链间耦合越强,则中间局域能级的态密度越小,最后没有中间局域态. 相似文献
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Starting from the extended SSH model that includes an external Coulomb potential arising from interchain charged solitons and counterions, the intrachain e-e interaction and the next neighbor hopping interactions, eight localized vibrational modes around the soliton lattice have been found for the doping levels from 3.33 at.% to 13.33 at.%. Among them three are infrared active and they can be used to interpret the three observed infrared absorption lines at 487, 1284 and 1362 cm–1. Furthermore, the frequencies of localized modes are decreased and their localizations are weakened when the dopant concentrations increase. 相似文献
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The localized vibrational modes around a bipolaron in cis-(CH)x are studied by using a two-dimensional extension of the SSH model that includes the bond-bending term. A number of additional modes have been found, compared with the results based on the standard SSH model The amplitudes of the two directions (x and y direction) are comparable for most of the modes as in the trans-(CH)x case. The number of localized modes and their frequencies depend not only on the coupling constant, but also on the bond-bending term and the parameter t1 in removing the degeneracy of the ground state. 相似文献
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The role of various magnetic interchain couplings is investigated by numerical methods in doped frustrated quantum spin chains. A nonmagnetic dopant introduced in a gapped spin chain releases a free spin-1/2 soliton. The formation of a local magnetic moment is analyzed in terms of soliton confinement. A four-spin coupling which might originate from cyclic exchange is shown to produce such a confinement. Dopants on different chains experience an effective space-extended nonfrustrating pairwise spin interaction. 相似文献