(Ba_(1-x)K_x)BiO_3电子结构与超导电性

用第一原理的ＬＤＦ-ＬＭＴＯ-ＡＳＡ超元胞法，模拟由Ｘ射线吸收谱精细结构测定的ＢａＢｉＯ_３中，Ｂｉ有两种价态Ｂｉ^３＋和Ｂｉ^5＋及与之相应的两种不同键长的Ｂｉ—Ｏ八面体，以及Ｋ掺杂对晶体结构的影响．计算了Ｂａ₄Ｂｉ₄Ｏ₁₂，（Ｂａ_３Ｋ）Ｂｉ₄Ｏ₁₂，（ＢａＫ）Ｂｉ₂Ｏ₆，（ＢａＫ_３）Ｂｉ₄Ｏ₁₂，Ｋ₂Ｂｉ₂Ｏ₆（简记为（４０４），（３１４），（１１２），（１３４），（０２２））五种“样本”的电子结构．结果表明，（４０４）和（３１４）分别为Ｅ_g＝１.６ｅＶ及Ｅ_g＝１.５ｅＶ的半导体，其它“样本”为金属．总能的分析表明（１３４）是不稳定的，故溶解极限为ｘ＝０.５．以“取样”方式按伯努利分布确定任意组分各“样本”的概率，进而计算了（Ｂａ_1-xＫ_x）ＢｉＯ_３电子结构随组分的变化．最后用逾渗模型说明了超导转变温度Ｔ_c在ｘ＝０．２５附近的突变 关键词：     

ZnO-Bi2O3-Sb2O3-BaO系陶瓷的晶界相与抗退降性能

在通常的ＺｎＯ－Ｂｉ₂Ｏ₃－Ｓｂ₂Ｏ₃系电压敏陶瓷中，加入能构成压敏特性的钡添加剂，发现除已知的Ｂｉ₂Ｏ₃和Ｚｎ_2．３３Ｓｂ_０．６７Ｏ₄晶界相以外，还出现新的晶界相，分析表明是固溶有微量其它成分的偏锑酸钡（ＢａＳｂ₂Ｏ₆）晶相。同时还发现，ＢａＳｂ_{2关键词：}     

浅杂质注入LEC半绝缘GaAs γ射线辐照缺陷

用深能级瞬态谱（ＤＬＴＳ）和恒温电容瞬态等技术研究了浅杂质注入ＬＥＣ半绝缘ＧａＡｓ的γ射线辐照缺陷。在Ｂｅ－Ｓｉ共注的ＬＥＣ半绝缘ＧａＡｓ中，γ射线辐照引入一电子陷阶Ｅ₂，并且大大增强了原有的Ｅ₀₁（０．２９８）和Ｅ₀₂（０．３４１）等缺陷，同时明显地瓦解了原有的少子陷阱Ｈ₀₃。在单纯注Ｓｉ的ＬＥＣ半绝缘ＧａＡｓ中，γ射线辐阳引进了Ｅ＇₀₁（０．２１６），Ｅ＇₀₂（０．３４１），Ｅ＇₂，Ｅ＇₄和Ｅ＇₅（０．６０８）等缺陷。其中Ｅ₀₁和Ｅ＇₀₁是新发现的和γ辐照有关的ＧａＡｓ缺陷。和低阻衬底同质外延ＧａＡｓ相比，Ｂｅ－Ｓｉ共注ＬＥＣ半绝缘ＧａＡｓ具有较低的γ射线辐照缺陷引入率，与此相反，单纯注Ｓｉ的ＬＥＣ半绝缘ＧａＡｓ具有较高的γ射线辐照缺陷的引入率。 关键词：     

YBa2Cu3O6+δ/BaTiO3系复合功能陶瓷特性研究

报道了超导陶瓷ＹＢａ₂Ｃｕ₃Ｏ_6+δ与铁电陶瓷ＢａＴｉＯ₃进行复合的结果。研究了该复合功能陶瓷的物相、（超）导电性和低温电阻温度特性。结果表明，采用合理的合成工艺，可得到呈现混和分布的两相复合功能陶瓷材料；该复合材料的电导特征符合三维渗流导电行为，发现在较高ＹＢａ₂Ｃｕ₃Ｏ_6+δ含量时，样品呈超导电性，并对此作了初步讨论。 关键词：     

R1-xPrxBa2Cu3O7-δ超导Tc平台的离子尺寸效应

系统地研究了Ｒ_1-xＰｒ_xＢａ₂Ｃｕ₃Ｏ_7-δ的超导Ｔ_c与Ｐｒ替代浓度ｘ的关系。发现在离子半径ｒ_i≤ｒ_i（Ｄｙ）时，在低Ｐｒ浓度范围内存在一个超导Ｔ_c平台，并且平台宽度表明一个Ｒ^３＋离子尺寸效应。我们认为，Ｔ_c平台宽度的离子尺寸效应可能起源于Ｐｒ４ｆ电子局域态的改变。提出一个临界Ｒ^３＋离子半径ｒ_ic，ｒ_i＞ｒ_ic时ＲＢａ₂Ｃｕ₃Ｏ_7-δ的超导电性消失 关键词：     

LaxBi2-xTi4O11的合成及相变研究

合成了Ｌａ_xＢｉ_2-xＴｉ₄Ｏ₁₁系列样品，并完成了它们的喇曼光谱和ｘ射线衍射测量；结果表明，该体系在Ｘ＝１．２经历了一次相变，且相变与最低频声子模随Ｘ的变化有关。Ｌａ_0.2Ｂｉ_1.8·Ｔｉ₄Ｏ₁₁的相变温度为２００℃。初步获得Ｌａ₂Ｔｉ₄Ｏ₁₁的结构为正交结构。 关键词：     

少子陷阱特性和铍硅共注半绝缘GaAs空穴陷阱

用深能级瞬态谱（ＤＬＴＳ）技术测量了高温退火的Ｂｅ和Ｓｉ共注入的ＬＥＣ半绝缘ＧａＡｓ（无掺杂）。在多子脉冲作用下的Ａｌ／Ｂｅ－Ｓｉ共注ＬＥＣＳＩＧａＡｓ肖特基势垒中，观测到Ｅ₀₁（０．２９８），Ｅ₀₂（０．３４１），Ｅ₀₃（０．５５５）和Ｅ₀₄（０．８２１）等四个电子陷阱以及两个主要的少子（空穴）陷阱Ｈ＇₀₃（０．５４）和Ｈ″₀₃（０．５７）。两少子陷阱的ＤＬＴＳ信号具有若干特点，比如它们的ＤＬＴＳ·峰难于通过增宽脉冲达到最大高度；以及峰的高度强烈地依赖于温度等。这些现象可以用少子陷阱的少子俘获和热发射理论进行合理地解释。鉴于用ＤＬＴＳ技术测量这种陷阱的困难，我们用恒温电容瞬态技术测定它们的空穴表观激活能分别为０．５４和０．５７ｅＶ。它们是新观测到的和Ｂｅ－Ｓｉ共注ＳＩＧａＡｓ有关缺陷。 关键词：     

典型颗粒超导体YBa2Cu3O7/V2O5中临界电流随温度变化的特性

通过制备（ＹＢａ₂Ｃｕ₃Ｏ₇）_1-x（Ｖ₂Ｏ₅）_x（０≤ｘ≤０．１５）复合材料，获得了一系列典型的弱连接的颗粒超导体，其中以ｄＲ／ｄＴ－Ｔ关系中呈现出双峰转变为主要特征。第一峰代表晶粒的超导转变，第二峰代表颗粒系统超导长程序的形成。对于具有双峰转变的样品，其临界电流密度一致地符合ｉ_c～（１－ｔ）^ｎ，ｎ＝１．６．这一行为与三维Ｊｏｓｅｐｈｓｏｎ结网络系统的渗流行为相一致；对于不具有双峰转变的系统，临界电流密度随温度的变化尽管也可以用ｊ_c～（１－ｔ）^ｎ描述，但是幂指数ｎ明显地大于１．６，且随样品的不同而离散地分布。本文还对产生这种离散的原因进行探索和分析。 关键词：     

BaSn1-xSbxO3-δ和Ba1-yLaySnO3-δ的导电机制

测量了ＢａＳｎ_1-xＳｂ_xＯ_3-δ和Ｂａ_1-yＬａ_yＳｎＯ_3-δ样品的低温电阻率和磁化率．实验结果表明，在较低温度区域，两类样品的导电机制均是传导电子的范围可变跳跃。而在较高温度区域，ＢａＳｎ_1-xＳｂ_xＯ_3-δ样品的电导主要是电子从定域态到扩展态的跃迁所贡献，Ｂａ_1-yＬａ_yＳｎＯ_3-δ样品的电导则可能来源于电子的最近邻跳跃。 关键词：     

低压-金属有机物汽相外延生长的Ga1-xInxAs/InP激光器中深能级的研究

应用深能级瞬态谱（ＤＬＴｓ）技术详细研究低压－金属有机物汽相外延（ＬＰ－ＭＯＶＰＥ）生长的Ｇａ_０．４７Ｉｎ_０．５３Ａｓ／Ｉｎｐ量子阱、宽接触和质子轰击条形异质结激光器中的深能级。样品的ＤＬＴＳ表明，在宽接触激光器的ｉ－Ｇａ_０．４７Ｉｎ_０．５３Ａｓ有源层里观察到Ｈ１（Ｅ_ｖ＋０．０９ｅＶ）和Ｅ１（Ｅ_ｃ－０．３５ｅＶ)陷阱，它们可能分别与样品生长过程中扩散到ｉ－Ｇａ_{０．４ 关键词：}     

Superconductivity mechanism of Ba1−xKxBiO3

Based on the singly occupied a_iσ picture and the mechanism of charge fluctuation, the effective Hamiltonian of the two-band Hubbard model is derived by using the degeneracy perturbation theory for the noncuprate compound Ba_1−xK_xBiO₃. By considering the next-neighbour pairing of two opposite spin holes in coordinate space, the Green's function equation of motion and the superconductivity equation are obtained. Furthermore, how the superexchange interaction and the hopping energy affect the next-neighbour pairing has been reasonably explained, and the superconductivity window is due to the Cooper pairing in coordinate space.     

s+d混合波对称性下联合模型的超导电性

提出一个联合模型，在ｓ＋ｄ混合波对称性下，合并考虑电子间配对相互作用的各向异性及二维电子结构上Ｖａｎ Ｈｏｖｅ奇异性对超导电性的影响．理论结果表明：Ｖａｎ Ｈｏｖｅ奇异性及配对相互作用的各向异性都是使Ｔ_c提高的重要因素；各向异性的电子配对相互作用自然导致序参量的ｄ波成分，当此各向异性增强时，ｄ波成分也增大．高温超导体的较高２Δ（０）／ｋ_ＢＴ_c值可能预示着在这些材料中ｓ波的权重远小于ｄ波权重．联合效应模型下的Ｔ_c处比热跳跃行为与经典的ＢＣＳ理论也完全不同 关键词：     

Theory of the spin-triplet superconductivity in Sr2RuO4 based on perturbation approach to three-band Hubbard model

We investigate a mechanism of the spin-triplet superconductivity in Sr₂RuO₄ by solving Eliashberg equation for three-band Hubbard model, where the effective pairing interaction is expanded perturbatively up to the third order with respect to the Coulomb integrals and the transition temperature is estimated numerically. The most significant momentum dependence of the effective interaction for the spin-triplet p-wave superconductivity does not originate from that of the spin susceptibility, but is brought by the third order vertex corrections. The results show that the p-wave pairing state is stabilized for not so strong inter-orbit couplings.     

Interplay of superconductivity and magnetism in presence of inter sub-lattice effect in cuprates

In the present communication, we report a model Hamiltonian to study the interplay between the two long range orders of anti-ferromagnetism (AFM) and superconductivity (SC) in cuprate superconductors in presence of the intersite pairing effect. The BCS type but non-phonon pairing mechanism is considered among the electrons of two equivalent ‘Cu’ sites. The pairing among the electrons of two nearest neighbour non-equivalent ‘Cu’ sites is included in the Hamiltonian and its effect on the interplay of SC and AFM is investigated. The Hamiltonian is solved by the Green’s function method and the corresponding gap equations are calculated and solved selfconsistently. The influence of model parameters like AFM coupling (λ), SC couling (λ ₁) and the coupling (λ ₂) for intersite superconducting interactions on the gaps (SC and AFM) are studied numerically and the results are reported.     

Theoretical studies of superconductivity in doped BaCoSO

We investigate superconductivity that may exist in the doped BaCoSO, a multi-orbital Mott insulator with a strong antiferromagnetic ground state. The superconductivity is studied in both t-J type and Hubbard type multi-orbital models by mean field approach and random phase approximation (RPA) analysis. Even if there is no C₄ rotational symmetry, it is found that the system still carries a d-wave like pairing symmetry state with gapless nodes and sign changed superconducting order parameters on Fermi surfaces. The results are largely doping insensitive. In this superconducting state, the three \({t_{{2_g}}}\) orbitals have very different superconducting form factors in momentum space. In particular, the intra-orbital pairing of the \({d_{{x^2} - {y^2}}}\) orbital has an s-wave like pairing form factor. The two methods also predict very different pairing strength on different parts of Fermi surfaces. These results suggest that BaCoSO and related materials can be a new ground to test and establish fundamental principles for unconventional high temperature superconductivity.     

Exact quantum critical points and phase separation instabilities in Betts Hubbard nanoclusters

Spontaneous phase separation instabilities with the formation of various types of charge and spin pairing (pseudo)gaps in U>0 Hubbard model including the next nearest neighbor coupling are calculated with the emphasis on the two-dimensional (square) lattices generated by 8- and 10-site Betts unit cells. The exact theory yields insights into the nature of quantum critical points, continuous transitions, dramatic phase separation instabilities and electron condensation in spatially inhomogeneous systems. The picture of coupled antiparallel (singlet) spins and paired charged holes suggests full Bose condensation and coherent pairing in real space at zero temperature of electrons complied with the Bose-Einstein statistics. Separate pairing of charge and spin degrees at distinct condensation temperatures offers a new route to superconductivity different from the BCS scenario. The conditions for spin liquid behavior coexisting with unsaturated and saturated Nagaoka ferromagnetism due to spin-charge separation are established. The phase separation critical points and classical criticalities found at zero and finite temperatures resemble a number of inhomogeneous, coherent and incoherent nanoscale phases seen near optimally doped high-T_c cuprates, pnictides and CMR nanomaterials.     

Unconventional superconductivity pairing induced by antiferromagnetic spin fluctuations in layered organic superconductors

The unconventional character of the superconductivity in organic compounds κ-(ET)₂X is ascribed to an antiferromagnetic spin fluctuation induced pairing. Since the band structure involves two bands (±), we assume that the large amplitude spin fluctuations arise from the band with the best nesting properties (band +), while superconductivity pairing occurs in the other band (-).We show that the nesting properties may mimic either a chemical pressure (deuterization) or a hydrostatic one. Indeed, a change of the nesting ratio t₁/t₂, according to our model, induces a modification of the Fermi surface topology. The spin fluctuations strength in the system is affected and consequently the calculated effective coupling constant of superconductivity for the even-parity singlet pairing channel. Our theory appears to be qualitatively consistent with major experimental reports.     

Exchange and spin-fluctuation mechanisms of superconductivity in cuprates

A microscopic theory of superconductivity is considered in the framework of the Hubbard p-d model for the CuO₂ plane. The Dyson equation is derived in the nonintersecting diagram approximation using the projection technique for the matrix Green function of the Hubbard operator. The solution of the equation for the superconducting gap shows that interband transitions for Hubbard subbands lead to antiferromagnetic exchange pairing as in the t-J model, while intraband transitions additionally lead to spin-fluctuation pairing of the d-wave type. The calculated dependences of the superconducting transition temperature on the hole concentration and of the gap on the wave vector are in qualitative agreement with experiments.     

Robustness of <Emphasis Type="Italic">s</Emphasis>-wave pairing symmetry in iron-based superconductors and its implications for fundamentals of magnetically driven high-temperature superconductivity

Based on the assumption that the superconducting state belongs to a single irreducible representation of lattice symmetry, we propose that the pairing symmetry in all measured iron-based superconductors is generally consistent with the A _1g s-wave. Robust s-wave pairing throughout the different families of iron-based superconductors at different doping regions signals two fundamental principles behind high-T _c superconducting mechanisms: (i) the correspondence principle: the short-range magnetic-exchange interactions and the Fermi surfaces act collaboratively to achieve high-T _c superconductivity and determine pairing symmetries; (ii) the magnetic-selection pairing rule: superconductivity is only induced by the magnetic-exchange couplings from the super-exchange mechanism through cation-anion-cation chemical bonding. These principles explain why unconventional high-T _c superconductivity appears to be such a rare but robust phenomena, with its strict requirements regarding the electronic environment. The results will help us to identify new electronic structures that can support high-T _c superconductivity.