一维双原子链中杂质引起的局域振动模

对含杂质的一维双原子链,在链中所有原子之间近邻相互作用力常数均相等的情况下,数值求解晶格振动的运动方程组,得到不同局域振动模的振动图像和产生条件,给出了局域模关于杂质原子质量和原胞中两种晶格原子质量比分布的相图．     

半导体中定域模,准定域模晶格振动的光谱研究

本文讨论了用光学方法研究杂质诱发定域化振动模的理论模型,分门别类地论述了半导体中杂质诱发的定域模、禁带模、共振模和准定域模晶格振动及非晶态半导体的晶格振动谱,给出了它们的综合结果。半导体中杂质诱发定域模已被人们广为研究,作者主要以自己的结果阐述了禁带模、共振模、准定域模和非晶态半导体振动谱研究在近年来取得的重要进展。除以较多篇幅研究各种定域化振动模的位置外,本文还从键—电荷模型出发讨论了杂质诱发振动吸收带的强度。     

半导体中定域模,准定域模晶格振动的光谱研究

本文讨论了用光学方法研究杂质诱发定域化振动模的理论模型,分门别类地论述了半导体中杂质诱发的定域模、禁带模、共振模和准定域模晶格振动及非晶态半导体的晶格振动谱,给出了它们的综合结果。半导体中杂质诱发定域模已被人们广为研究,作者主要以自己的结果阐述了禁带模、共振模、准定域模和非晶态半导体振动谱研究在近年来取得的重要进展。除以较多篇幅研究各种定域化振动模的位置外,本文还从键—电荷模型出发讨论了杂质诱发振动吸收带的强度。     

掺杂、无序和混晶半导体的晶格振动行为

一、研究的意义和目的 杂质诱发的半导体晶格振动问题和无序和混晶半导体的晶格振动问题的研究,在过去20多年中一直是比较活跃的. 过去的研究表明,在杂质诱发晶格振动情况下,由于杂质原子量和掺杂的不同而引起的力常数的变化,可以诱发与杂质有关的、不同程度局域化的振动模(尤其是位于声子带上方的局域模),并可使原来光学不激活的声子带模变得部分地光学可激活.然而对与低频的声学声子带有关的杂质诱发振动行为,国内外却研究得很少,实验方面尤其如此. 关于无序半导体的晶格振动行为,已有的研究成果表明,无序可以使理想晶体情况下光s学不激活…     

不稳定局域模及其对杂质中心吸收带宽的影响

本文运用羣论方法,把不稳定局域模和含杂晶格的带内本征矢的散射部分都按格位羣的不可约表示分了类。具体地讨论了最近邻相互作用的简单立方晶格的情况,计算结果表明:可。能产生同P(=γ′/γ)和(=m′/m)有关的T_1u型不稳定局域模和仅与P有关的简并的A_1g,E_g,T_1g,T_2g和简并的T_1u,T_2u型不稳定局域模,以及只有同一类型的对称性驻波才能为杂质所散射。这里m′和m分别为杂质原子和基质原子的质量;γ′和γ分别为杂质与近邻之间和一般近邻之间的力常数。以同样的模型计算了各种类型声子对杂质中心吸收带宽的贡献。指出,宽度很窄的g型不稳定局域模对带宽的贡献可能变得很大,而超过其余声子的总贡献。最后讨论了单有效频率近似可能有的微观理论基础的问题。     

杂质中心吸收宽带的电声子耦合问题(Ⅱ)

在这篇文章中,我们用一维晶格模型讨论了杂质中心中电声子耦合强度的问题。用场论方法严格地解得了含杂质晶格之运动方程的本征函数。由此得到了电声子耦合强度的解析表示式,它是用声子的波数k、表示相互作用范围的参量λ以及杂质参量P=γ′/γ解析地表示出来的。其中γ′和γ分别为杂质与近邻之间和一般近邻之间的力常数。对结果的分析表明,只改变质量的杂质不影响电声子耦合;导致力常数变化的杂质对电声子耦合有显著的影响。当有奇的局域模出现时,在离子晶体中它对带宽的贡献可以比带内模的贡献大很多。尤其是在离子晶体中有可能出现所谓“临界散射”,这时带内模的贡献可能变得很小,而主要的贡献几乎全来自于局域模。相反地,在非极化晶体中,局域模的贡献一般是很小的。文中最后讨论了由一维模型得到的结论对于三维晶体可能有的意义。     

具有在位势的一维双原子链中杂质引起的局域振动

对具有在位势且含杂质的一维双原子链的晶格振动方程组进行求解,得到了局域振动的解析解, 给出了在位势对局域振动影响的基本特征,并简要讨论了局域模的存在形式.     

具有在位势的一维双原子链中杂质引起的对称局域模

对具有在位势且含杂质的一维双原子链的晶格振动方程组进行求解,得到了局域振动的解析解,给出了在位势对局域振动影响的基本特征,并简要讨论了对称局域模的存在形式.     

一维极化子的定域振动模

本文研究了一维电子-晶格耦合系统中极化子的晶格振动,发现了两个新的定域振动模g₆和g′₆,它们分别在一定的耦合参量λ的范围内存在。本文还给出了各个定域振动模的频率和位形随λ的变化情况。 关键词：     

次近邻电子跳跃对孤子的电子束缚态和孤子附近局域模的影响

从SSH模型出发,考虑电子次近邻跳跃的影响,研究了聚乙炔中孤子的电子束缚态和孤子附近的局域振动模。结果发现:1.电子能谱中的电子-空穴对称性消失;2.孤子的电子束缚态的数目和位置发生了变化,且与孤子的类型有关;3.孤子附近出现了一个新的局域振动模G₆;4.次近邻电子跳跃改变了局域模的频率,增强了局域模的局域性。 关键词：     

Vibrational modes induced by a pair of impurities

Presence of a polarizable impurity atom in an ionic crystal induces a localized vibrational mode of the lattice. The frequency of the mode is distinct from the propagating modes of the pure crystal. It is shown in this paper that the frequency of the mode depends on the polarizability of the impurity atom and on the distance of separation between two adjacent impurities.     

Local vibrations in fcc crystals with two-parametric substitutional impurities

The threshold parameters of defects (the mass defect and the relative change in the force constants) are determined at which local vibrations start to occur in an fcc crystal with substitutional impurities. The characteristics of local vibrations are investigated, and the influence of the defect parameters on the frequency of local vibrations and their decay rate with distance from the impurity atom is analyzed. The frequencies and the intensities of local vibrations are calculated for the nearest neighboring atoms of an impurity, which, combined with the impurity atom, form a defect cluster.     

On the nature of a lattice vibrational mode at a frequency of 135 cm−1 in Hg1 − x Cd x Te alloys

The vibrational spectrum of a cadmium impurity atom in the HgTe crystal has been calculated using the microscopic theory of lattice dynamics in the approximation of a low impurity concentration. Within this theory, the behavior of the local and quasi-local modes induced upon substitution of the lighter Cd atom for the Hg atom in the region of the zero or very low one-phonon density of states in the HgTe crystal has been considered. It has been found that, apart from the local mode at a frequency of 155 cm^?1, the calculated vibrational spectra exhibit a weak (but clearly pronounced) feature at a frequency of 134 cm^?1, which coincides with the experimentally observed vibrational mode (the “minicluster” mode) at a frequency of 135 cm^?1 in the Hg_{1 ? x} Cd _x Te (x = 0.2–0.3) alloys at 80 K.     

STM tunneling through a quantum wire with a side-attached impurity

The STM tunneling through a quantum wire (QW) with a side-attached impurity (atom, island) is investigated using a tight-binding model and the non-equilibrium Keldysh Green function method. The impurity can be coupled to one or more QW atoms. The presence of the impurity strongly modifies the local density of states of the wire atoms, thus influences the STM tunneling through all the wire atoms. The transport properties of the impurity itself are also investigated mainly as a function of the wire length and the way it is coupled to the wire. It is shown that the properties of the impurity itself and the way it is coupled to the wire strongly influence the STM tunneling, the density of states and differential conductance.     

Kinetics of the diffusion of an impurity atom on a fcc(111) surface

An analytical study of the migration of an embedded impurity atom over a solid surface under the influence of the diffusion of vacancies is performed. The case of small surface coverages of both vacancies and impurity atoms is considered. It is shown that the realization of multiple collisions of a single impurity atom with vacancies imparts a Brownian character to its motion. At long times, the dependence of the mean square displacement on the time differs little from the linear, whereas the spatial density distribution is close to the Gaussian, features that makes it possible to introduce a diffusion coefficient. For the latter, an analytical expression is derived, which differs from the product of the diffusion coefficient of vacancies and their relative concentration only by a numerical factor. The dependence of the diffusion coefficient of an impurity atom on the ratio of the frequency of its jumps to the frequency of jumps of vacancies is analyzed. In the kinetic mode, when the frequency of jump ω of the imurity atom is small, the diffusion coefficient of the impurity depends linearly on ω, whereas in the opposite case, a saturation occur and its dependence on the frequency of jumps of the impurity atom disappears.     

Three impurity cluster in a diatomic linear chain

The modes of vibration of a three impurity cluster in a diatomic linear chain is studied. The configuration of the three impurity atoms is such that two of these go into next nearest neighbour sites in one of the sub-lattices whereas the third occupies the central in between site in the other sub-lattice. New local, gap and inband modes are seen to exist, besides the ones corresponding to the impurity pairs. A new feature which appears is that the frequencies of some of the pair modes remain totally unaffected in the presence of the third impurity atom.     

硅纳米结构晶体管中与杂质量子点相关的量子输运

在小于10 nm的沟道空间中,杂质数目和杂质波动范围变得十分有限,这对器件性能有很大的影响.局域纳米空间中的电离杂质还能够展现出量子点特性,为电荷输运提供两个分立的杂质能级.利用杂质原子作为量子输运构件的硅纳米结构晶体管有望成为未来量子计算电路的基本组成器件.本文结合安德森定域化理论和Hubbard带模型对单个、分立和耦合杂质原子系统中的量子输运特性进行了综述,系统介绍了提升杂质原子晶体管工作温度的方法.