新型超导体材料MgB2的电子结构随压强的变化关系

根据密度泛函理论运用全势能线性muffin-tin轨道（FP－LMTO：full-potential linear-muffin-tin-orbital)方法计算了不同压强下MgB2晶格常数发生变化时的电子结构的变化情况，得出态密度的倒数与临界温度的自然对数成线性关系，符合BCS理论，从而进一步证实了MgB2的超导机制为电一声子耦合BCS机制。     

Zn掺杂对MgB2电子结构及超导转变温度的影响

建立Zn掺杂含量不同的6个MgB2模型Mg1-xZnxB2（x=0,1/18,1/16,1/12,1/8,1/6）,对模型进行参数优化,分析Zn掺杂对MgB2几何构型的影响;计算纯MgB2和x为1/6,1/8,1/12时掺杂模型的能带结构和态密度,对得到的结果进行分析和处理,并指出Zn掺杂时MgB2超导临界转变温度Tc变化的大致规律.根据强耦合BCS理论的Mc-Millan公式,推导第一性原理计算公式,计算Zn掺杂MgB2的超导临界转变温度Tc.     

紧束缚近似解释MgB_2超导电性

作者在BCS理论对于超导体电声耦合组成库珀对解释超导电性的基础上,从MgB2 能带结构出发,通过紧束缚近似理论对其的详细计算和系统分析,比较合理的解释了MgB2 的超导电性。     

紧束缚近似解释MgB2超导电性

作者在BCS理论对于超导体电声耦合组成库珀对解释超导电性的基础上，从MgB2能带结构出发，通过紧束缚近似理论对其的详细计算和系统分析，比较合理的解释了MgB2的超导电性。     

超导的纯电子机制

从电子晶格的相互作用，受晶格屏蔽的电子间的相互作用，以及电子自旋的磁力作用等纯电子机制阐明正常超导和高温超导共同的机理，说明MgB2的超导和陶瓷性超导的机理相同，都是由于自由电子少的原因，以此对BCS公式作以修正，并预言Li2O的临界温度高于MgB2。     

MgB2薄膜的超导电性

采用平面波赝势方法计算了MgB2超导薄膜的电子结构.结果发现,表面层B(S)在费米能级处的态密度显著增强.在线性响应的密度泛函微扰理论框架下计算了MgB2薄膜的动力学性质及电-声子相互作用,分析了MgB2超导薄膜在Γ点的振动模的频率.结果发现,MgB2薄膜中的声子存在软化现象,并且声子的软化提高了电-声子相互作用,从而增强了薄膜的超导电性.     

高压下MgB2的电子结构的第一性原理计算

我们利用基于密度泛函理论框架下的广义梯度近似,结合全势(线性)缀加平面波方法,研究了高压下MgB2的电子结构,得到了几种压强下MgB2的电子能带结构.发现在Г点б带和π带随着压强的增大逐渐靠拢;体积的减小使价带带宽增大,而c/a的减小对这一变化没有贡献.     

MgB_2晶胞电子输运性质的计算

基于密度泛函理论结合非平衡格林函数,对MgB2晶胞的电子输运性质进行了第一性原理计算,结果得到MgB2晶胞的c轴垂直于z轴方向(电子传输方向)时的电导大于c轴平行于z轴方向时的电导,在外电压为(0～0.9V)范围内,电导比较稳定,其伏安曲线表现出线性特征,并从透射谱、投影态密度与电荷转移量对电子输运性质进行了分析与讨论.     

应用Abinit软件研究MgB2超导薄膜的量子效应

为了研究超导薄膜材料的量子效应,采用基于第一性原理和密度泛函理论的Abinit计算软件,对MgB2薄膜的原子层间弛豫、平均总能量和递增能进行模拟计算研究。研究结果表明:对于以B和Mg为终结面的MgB2超导薄膜,薄膜的原子层间弛豫大小、递增能都随着薄膜厚度的增加而呈现振荡现象。采用全量子计算的研究结果对超导薄膜材料的理论和实验研究具有一定参考价值和指导意义。     

BCS理论实质的量子力学分析

本文在BCS理论基础和实验基础上,从量子力学的角度分析了BCS理论的实质问题:(1)金属在进入超导态后结成库柏对;(2)电子之间有一种吸引力(电子—声子相互作用)使它们处于配对的束缚态。最后简要地评价了BCS理论。     

The complex nature of superconductivity in MgB2 as revealed by the reduced total isotope effect

Magnesium diboride, MgB2, was recently observed to become superconducting at 39 K, which is the highest known transition temperature for a non-copper-oxide bulk material. Isotope-effect measurements, in which atoms are substituted by isotopes of different mass to systematically change the phonon frequencies, are one of the fundamental tests of the nature of the superconducting mechanism in a material. In a conventional Bardeen-Cooper-Schrieffer (BCS) superconductor, where the mechanism is mediated by electron-phonon coupling, the total isotope-effect coefficient (in this case, the sum of both the Mg and B coefficients) should be about 0.5. The boron isotope effect was previously shown to be large and that was sufficient to establish that MgB2 is a conventional superconductor, but the Mg effect has not hitherto been measured. Here we report the determination of the Mg isotope effect, which is small but measurable. The total reduced isotope-effect coefficient is 0.32, which is much lower than the value expected for a typical BCS superconductor. The low value could be due to complex materials properties, and would seem to require both a large electron-phonon coupling constant and a value of mu* (the repulsive electron-electron interaction) larger than found for most simple metals.     

The origin of multiple superconducting gaps in MgB2

Magnesium diboride, MgB2, has the highest transition temperature (T(c) = 39 K) of the known metallic superconductors. Whether the anomalously high T(c) can be described within the conventional BCS (Bardeen-Cooper-Schrieffer) framework has been debated. The key to understanding superconductivity lies with the 'superconducting energy gap' associated with the formation of the superconducting pairs. Recently, the existence of two kinds of superconducting gaps in MgB2 has been suggested by several experiments; this is in contrast to both conventional and high-T(c) superconductors. A clear demonstration of two gaps has not yet been made because the previous experiments lacked the ability to resolve the momentum of the superconducting electrons. Here we report direct experimental evidence for the two-band superconductivity in MgB2, by separately observing the superconducting gaps of the sigma and pi bands (as well as a surface band). The gaps have distinctly different sizes, which unambiguously establishes MgB2 as a two-gap superconductor.     

MgB2超导体的相图及其对薄膜制备的指导作用

MgB2适合于制备约瑟夫森结,在超导电子学领域有很好的应用前景。制备高质量的MgB2薄膜至关重要,应用Mg-B/Mg-B-O体系的相图指导MgB2薄膜生长意义重大。总结MgB2相体系及相关系,详细对比分析Mg-B/Mg-B-O体系的热力学相图,总结分析富氧区杂项MgO的生成机理及其对MgB2薄膜质量和性能的影响,研究分析有氧体系下Mg-B/Mg-B-O热力学相图对MgB2薄膜材料制备生长的指导意义,探讨HPCVD环境下采用原位生长技术制备MgB2超导薄膜时热力学相图的指导作用及相关制备工艺。     

Superconductivity in MgB2

In January of 2001 the superconductivity of the compound MgB2 with a critical temperature Tc of up to 39 K was discovered. This Tc is the highest in all intermetallic compound and alloy superconductors. MgB2 has a simple structure and its manufacturing capital cost is lower, therefore it could become a practical superconductor in the future. The recent progress is reviewed here which covers the progress in electronic structure, high Tc mechanism, superconducting parameters (Debye temperature, specific heat coefficient of electron, critical fields, coherent length, penetration depth, energy gap, critical current and relaxation rate of flux). Moreover the issue on power transmission is discussed.     

MgB2制备过程中退火效应和热稳定性的实验研究

报道了关于 MgB₂ 超导体制备过程中的退火效应和热稳定性的实验研究。把硼片在不同的温度 Mg 气氛中退火不同时间得到 MgB₂,制备样品的测量结果显示制备 MgB₂ 的合适温度范围是 700～1000℃,并且较高的制备温度下只需要相对短的退火时间内就能得到较高转变温度的样品。热稳定性实验的结果显示在没有 Mg 的气氛中 MgB₂ 在 700℃ 下是稳定的,从 800℃ 开始分解,直到完全失去超导电性。实验还观测到利用 MgB₂ 混合物薄膜前驱代替硼片制备 MgB₂ 时,在 600℃ 退火时样品就显示超导电性。     

无定形C掺杂对MgB2微结构和超导电性的影响

采用原位法粉末装管工艺制备了MgB2-xCx/Nb/Cu单芯线材.通过X射线衍射(XRD)、扫描电镜(EMS)和物性测试仪(PPMS)等手段研究了无定形C掺杂对线材微观结构及超导电性的影响.结果显示,随着C掺杂量的增加,进入MgB2晶格的C含量增加,MgB2层间结构不变.样品性能达到实用化超导磁体要求,在温度30 K外场0.2 T条件下,C掺杂量x=0,0.05,0.10,0.15的样品临界电流密度分别达8.1×104,1.7×105,1.6×105和1.0×105A/cm2.实验表明最佳C掺杂量x在0.05与0.10之间.     

Superconducting Properties and Microstructure in MgB2 Bulks, Wires and Tapes

We prepared a series of MgB2 bulk samples under different temperatures, holding time and increasing rates in temperature by the solid state reaction. The thermodynamic behavior and phase formation in the Mg-B system were studied by using DTA, XRD and SEM. The results indicate that the formation of the MgB2 phase is very fast and the high increasing rate in temperature is necessary to obtain high quality MgB2. In addition, the effects of the Zr-doping in Mg1-xZrxB2 bulk samples fabricated by the solid state reaction at ambient pressure on phase compositions, microstructure and flux pinning behavior were investigated by using XRD, SQUID magnetometer, SEM and TEM. Critical current density Jc can be significantly enhanced by the Zr-doping and the best data are achieved in Mg0.9Zr0.1B2. For this sample, Jc values are remarkably improved to 1. 83 × 106 A/cm2 in self-field and 5. 51 × 105 A/cm2in 1T at 20K. Also, high quality MgB2/Ta/Cu wires and tapes with and without Ti-doping, MgB2/Fe wires and 18 filamen     

High critical currents in iron-clad superconducting MgB2 wires

Technically useful bulk superconductors must have high transport critical current densities, Jc, at operating temperatures. They also require a normal metal cladding to provide parallel electrical conduction, thermal stabilization, and mechanical protection of the generally brittle superconductor cores. The recent discovery of superconductivity at 39 K in magnesium diboride (MgB2) presents a new possibility for significant bulk applications, but many critical issues relevant for practical wires remain unresolved. In particular, MgB2 is mechanically hard and brittle and therefore not amenable to drawing into the desired fine-wire geometry. Even the synthesis of moderately dense, bulk MgB2 attaining 39 K superconductivity is a challenge because of the volatility and reactivity of magnesium. Here we report the successful fabrication of dense, metal-clad superconducting MgB2 wires, and demonstrate a transport Jc in excess of 85,000 A cm-2 at 4.2 K. Our iron-clad fabrication technique takes place at ambient pressure, yet produces dense MgB2 with little loss of stoichiometry. While searching for a suitable cladding material, we found that other materials dramatically reduced the critical current, showing that although MgB2 itself does not show the 'weak-link' effect characteristic of the high-Tc superconductors, contamination does result in weak-link-like behaviour.