准一维碳骨架分子中的超导相与其它凝聚相

本文利用温度Green函数和无规周相近似分析了准一维碳骨架分子中超导相和其它凝聚相出现的可能性和条件。结果表明,这类准一维有机聚合物(C_n聚合物群)由于Fermi面处发散的态密度而具有相当高的转变温度。这种转变温度与通常指数律不同而呈幂函数依赖关系:T_c-│g│^n/(n-1)(g为有效相互作用强度)。在一定条件下,它们很有可能成为一类新的有希望的高温有机超导材料。 关键词：     

过渡金属的超导电理论

1.实验证明,过渡族超导体的很多性质可以在BCS理论中获得解释,只要形式上把BCS理论中的N(0)理解成Fermi能级处s带和d带态密度之和。这些性质有:比热,临界磁场,能隙等。 过渡金属的特点是s带和d带重迭,Fermi能级位于s带和d带之中。过渡金属的很多性质和这个特点有关。Suhl,Matthias和Walker把BCS理论推广到重迭能带的情形,企图给出较为合理的过渡金属超导电理论。在二能带模型的基础上,BCS哈密顿量推广成     

新型超导材料MgCNi3的电子结构与超导电性研究

用MS-Xα方法研究了非氧化物超导材料MgCNi3的电子结构.研究结果显示,态密度分布曲线的主峰靠近Fermi面,主要来自于Ni的d电子的贡献.用T(T=Co,Mn,Cu)替代MgCNi3中的部分Ni形成化合物MgCNi2T,替代使Ni的价电子数减小,价态发生变化,Fermi面处态密度N(EF)减小.计算结果表明:无论是电子掺杂(Cu)还是空穴掺杂(Co,Mn),MgCNi3的超导电性都被抑制;Mn掺杂比Co掺杂更快地抑制超导电性,Co是作为空穴掺杂而不是作为磁性杂质掺杂去抑制超导.     

新型超导材料MgCNi3的电子结构与超导电性研究

用MS-Xα方法研究了非氧化物超导材料MgCNi₃的电子结构. 研究结果显示, 态密度分布曲线的主峰靠近Fermi面, 主要来自于Ni的d电子的贡献. 用T(T=Co，Mn，Cu)替代MgCNi₃中的部分Ni形成化合物MgCNi₂T，替代使Ni的价电子数减小, 价态发生变化, Fermi面处态密度N(E_F)减小. 计算结果表明：无论是电子掺杂（Cu）还是空穴掺杂（Co，Mn），MgCNi₃的超导电 关键词： 电子结构 态密度 超导电性     

新型磁屏蔽感应型超导故障限流器的研究

在研究磁屏蔽感应型超导故障限流器原理的基础上,提出了一种新型磁屏蔽感应型高温超导故障限流器,它主要由一次超导绕组、二次超导圆柱形屏蔽筒、铁芯和液氮冷冻箱组成,其工作原理是利用超导绕组和超导筒从超导态转变到正常态时其阻抗的快速上升而限流,对应用于三相系统的新型磁屏蔽感应型超导故障限流器进行了仿真研究,它能显著地减少暂态及稳态的故障电流,有效地提高电力系统的稳定性.     

Gd掺杂的Bi系2212相单晶电子状态的X射线光电子能谱研究

利用X射线光电子能谱(XPS)研究了Bi系纯2212相超导单晶和Gd掺杂的2212相绝缘体单晶的电子状态的区别。实验结果表明Gd掺杂引起超导电性的变化是由于D_2p轨道空穴填充引起。本文还对Cu2p_3/2XPS卫星峰与主峰强度之比(I_s/I_m),Bi-O层性质以及Bi系Fermi能级附近态密度的来源等问题进行了讨论。 关键词：     

Fe-Mn合金中ε-马氏体的电子结构和磁性特性

利用原子簇模型和自旋极化离散变分法(DV-Xα),对Fe-Mn合金中ε -马氏体的电子结构和自旋磁矩进行了计算,结果与实验相符;并讨论了原子间距对磁矩 、局域态密度和Fermi能级的影响。     

磁屏蔽感应型超导故障限流器的仿真研究

磁屏蔽感应型超导故障限流器主要由一次铜绕组、二次超导圆柱形屏蔽筒、铁芯和液氮冷冻箱组成,其工作原理是利用超导筒从超导态转变到正常态时其阻抗的快速上升而限流,本文利用MATLAB仿真研究了该HTSCFCL模型,仿真结果证明该限流器能显著地减少了暂态及稳态故障电流,也表明该HTSCFCL能有效地提高系统的稳定性.     

C74分子光谱特性及电子结构的密度泛函研究

利用第一性原理的密度泛函理论和非平衡格林函数的方法研究了C74分子的分子轨道密度、振动光谱和态密度。结果显示C74分子的能隙0.6eV。比较C74分子的电子云分布发现，在HOMO和LUMO状态下的电子只分布在C74分子的半球表面侧，电子在成键过程中都表现出了较好的离域特性。C74分子的红外光谱和拉曼光谱显示，碳碳键的振动在有些频率处只有红外活性，有些频率处只有拉曼活性，还有一些频率处既有红外又有拉曼活性。另外，考虑电子自旋作用时C74分子态密度的极大值数量有所增加，并使简并的能级发生分裂。     

镧铱硅电子结构与成键机理的第一性原理研究

利用基于密度泛函理论的第一性原理方法,系统研究了镧铱硅（La-Ir-Si）体系四种异构体的电子结构与成键机理．通过对能带结构、态密度的系统分析,发现：La-Ir-Si体系的超导属性与该体系中过渡元素Ir-d态和Si-p态的p-d轨道耦合强度有关．为了定量描述p-d轨道耦合的强度,采用了分子中的原子方法,针对La-Ir-Si体系成键过程中的电荷迁移进行了定量的分析,结果表明,超导的转变温度与体系中Ir原子basin中的电荷量成近线性关系． 关键词： La-Ir-Si 电子结构 超导属性 第一原理     

Interplay among superconductivity,charge density waves,and magnetism in EuMo6S8

In a one-dimensional metal, the energy of the electrons can always be lowered by opening an energy gap around the Fermi energy (the Peierls instability): all occupied states are then in the lower-energy band, while the higher-energy band is empty. The opening of such a gap requires a structural distortion, resulting in the formation of a charge density wave. In a three-dimensional system, the gapping takes place in the region where the Fermi surface is nested (i.e., large parallel areas of the Fermi surface are spanned by a certain wave vector), giving rise to partial gapping of the Fermi surface, accompanied by a structural distortion. In this case, a charge density wave can coexist with superconductivity. Both charge-density-wave and superconducting transitions involve the formation of an energy gap at the Fermi energy. A charge-density-wave gap is formed at a region of the Fermi surface where there is a high density of electronic states. In such a material, there is also a strong electronphonon interaction. A region with high density of states and a high electron-phonon interaction is just the portion of the Fermi surface that will enhance the superconducting transition temperature, according to the BCS (Bardeen-Cooper-Schrieffer) theory. When a charge-density-wave gap opens up at the Fermi surface these electronic states are no longer available to form Cooper pairs and to enhance the superconducting transition temperature. The opposite is also true; if a superconducting gap opens, the states involved in forming this gap are no longer available to take part in a charge-density-wave transition. It appears that charge density waves and superconductivity compete for the same portion of the Fermi surface and thus inhibit each other. In this paper, we will review a unique situation with respect to the competition between these two ground states and will also discuss how this competition affects the anomalous behavior of critical field in EuMo6S, at high pressure.     

Re-integerization of fractional charges in the correlated quarter-filled band

Previous work has demonstrated the existence of soliton defect states with charges +/-e/2 in the limits of zero and infinite on-site Coulomb interactions in the one-dimensional (1D) quarter-filled band. For large but finite on-site Coulomb interaction, the low temperature 2kF bond distortion that occurs within the 4kF bond-distorted phase is accompanied by charge ordering on the sites. We show that a "re-integerization" of the defect charge occurs in this bond-charge-density-wave state due to a "binding" of the fractional charges. We indicate briefly possible implications of this result for mechanisms of organic superconductivity.     

Effects of long range Coulomb interaction on the Peierls instability

The Peierls instability is studied for a one-dimensional tight-binding model of conduction electrons in the half-filled case. The long range Coulomb interaction as well as the electron-phonon coupling are taken into account. It is found that the Peierls distortion is hindered by the long wavelength charge fluctuations due to the Coulomb interaction.     

Coulomb pairing of like-charged particles with negative effective mass in high-temperature superconductors

Quasi-steady states of pairs of like-charged quasi-particles can be formed because the electronic structure of compounds exhibiting high-temperature superconductivity has various important characteristics: a quasi-two-dimensional electron spectrum, clearly defined nesting of constant-energy lines, and the presence of a logarithmic singularity of the density of states in the immediate vicinity of the Fermi level. Thus, a situation is achieved where, in an extensive region of the Brillouin zone adjacent to the Fermi level, the principal values of the tensor of the reciprocal effective masses have opposite signs and differ appreciably in absolute value. As a result, the nature of the Coulomb correlation interaction between charge carriers of the same sign (holes in p-cuprates) varies: effective attraction may predominate, leading to the formation of long-lived states of relative motion of quasi-particles which form a pair having a quasi-momentum approximately equal to twice the Fermi quasi-momentum typical of this direction (focused pairs). Assuming that the correlation interaction is short-range (screened Coulomb interaction attenuated by filling of states inside the Fermi contour), we determine the energies and envelope functions of the relative motion of a hole pair which correspond to the density-of-states maxima of the pairs attributable to these quasi-steady states. The dependence of these quantities on the polar angle in the plane of the conducting layer reflects the symmetry of the electronic structure of the compound in the normal state and is generally consistent with a mixture of states assigned to s and d types of orbital symmetry. The quasi-steady state as a function of the doping level of the system agrees qualitatively with the concentration dependence of the temperature for the appearance of a pseudogap observed in p-cuprates at below-optimum doping levels. An estimate of the pair concentration above which a gain in correlation energy occurs gives a value which corresponds to the onset of effective pair overlap (for which the characteristic spatial scale is a few or a few tens of interatomic distances).     

On the superconductivity of a Wigner liquid

The disorder effect on the interaction of quasiparticles between each other is discussed. The occurrence of a soft mode is taken as the basic assumption. The interaction through the soft mode results in attraction between Fermi quasiparticles (this is apart from the repulsion that has remained from the initial Coulomb interaction between particles). This attraction (in the vicinity of the Fermi surface) is strengthened with increasing concentration of the scattering centers. Therefore, even if the pure system exhibits no superconductivity, superconductivity could appear in the impurity system.     

Superconducting and charge-density wave instabilities in ultrasmall-radius carbon nanotubes

We perform a detailed analysis of the band structure, phonon dispersion, and electron-phonon coupling of three types of small-radius carbon nanotubes (CNTs): (5,0), (6,0), and (5,5) with diameters 3.9, 4.7, and 6.8 Å respectively. The large curvature of the (5,0) CNTs makes them metallic with a large density of states at the Fermi energy. The density of states is also strongly enhanced for the (6,0) CNTs compared to the results obtained from the zone-folding method. For the (5,5) CNTs the electron-phonon interaction is dominated by the in-plane optical phonons, while for the ultrasmall (5,0) and (6,0) CNTs the main coupling is to the out-of-plane optical phonon modes. We calculate electron-phonon interaction strengths for all three types of CNTs and analyze possible instabilities toward superconducting and charge-density wave phases. For the smallest (5,0) nanotube, in the mean-field approximation and neglecting Coulomb interactions, we find that the charge-density wave transition temperature greatly exceeds the superconducting one. When we include a realistic model of the Coulomb interaction we find that the charge-density wave is suppressed to very low temperatures, making superconductivity dominant with the mean-field transition temperature around one K. For the (6,0) nanotube the charge-density wave dominates even with the inclusion of Coulomb interactions and we find the mean-field transition temperature to be around five Kelvin. We find that the larger radius (5,5) nanotube is stable against superconducting and charge-density wave orders at all realistic temperatures.     

Electron gas in the screening-corrected Hartree-Fock model

An exact solution has been obtained for the quasiparticle dispersion law and total energy in the framework of the Hartree-Fock model applied to the case of screened Coulomb interaction. It has been shown that if screening is taken into account, the predicted density of states and effective mass at the Fermi level have finite nonzero values.__________Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 12, pp. 16–20, December, 2004.     

Coulomb effects on the Peierls transition

The influence of the intrachain Coulomb interactions on the Peierls transition is examined. The change of the form of the electronic polarizability at twice the Fermi wavevector, to a power law divergence in the presence of Coulomb interactions, is found to enhance the mean field transition temperature for the Peierls transition.     

Peierls相变与磁场中碳纳米管的场发射

应用紧束缚模型和WKB方法研究碳纳米管的out-of-plane型Peierls相变,及其对碳纳米管的场发射的影响.结果发现Peierls相变会在室温出现,并使碳纳米管费米面附近出现能隙,导致碳纳米管发生金属—半导体转变,从而抑制碳纳米管的场发射.磁场也会抑制Peierls形变,Peierls相变和磁场相互竞争影响碳纳米管的能带结构,从而影响碳纳米管的场发射. 关键词： 场发射 碳纳米管 Peierls相变     

Superconductivity in a model with overlapping wide and flat bands

The density of one-electron states at the Fermi level with allowance for weak Coulomb correlations between the band electrons is calculated in a superconductivity model having overlapping wide and flat bands. The dependence of the superconducting transition temperature on the doping level is obtained. Fiz. Tverd. Tela (St. Petersburg) 39, 237–239 (February 1997)