钛离子辐照对MgB2超导薄膜的载流能力和磁通钉扎能力的影响

利用混合物理化学气相沉积法(hybrid physical-chemical vapor deposition, HPCVD)可以制备出高性能的MgB₂超导薄膜, 再对薄膜进行钛(Ti)离子辐照处理.经过辐照处理后的样品被掺入了Ti元素, 与未处理的干净MgB₂样品相比,其超导转变温度没有出现大幅度的下降, 而在外加磁场下的临界电流密度得到了明显的提高,同时样品的上临界磁场也得到了提高. 在温度5 K, 外加垂直磁场为4 T的情况下, Ti离子辐照剂量为1× 10¹³/cm²的样品的临界电流密度达到了1.72× 10⁵ A/cm², 比干净的MgB₂要高出许多,而其超导转变温度仍能维持在39.9 K的较高水平.     

UO2的电子结构及光学性质的第一性原理研究

采用局域自旋密度近似 (LSDA)和有效库仑相关能 (U) 方法研究了UO₂的晶格参数、能带结构和光学常数. 计算得到的UO₂晶体的晶格常数为5.40 ?,带隙宽度为1.82 eV,正确预测了UO₂的反铁磁性半导体基态性质. 能带结构和介电函数的分析结果表明,铀的6d电子在晶体场中发生劈裂形成两个能级,与实验结果较为符合.     

0.5NdAlO3-0.5CaTiO3电子结构及光学性质的第一性原理计算

采用基于第一性原理密度泛函理论的平面波赝势方法,对0.5NdAlO₃-0.5CaTiO₃晶体进行结构优化,并对其能带结构,态密度和光学性质进行了理论计算.结构优化后晶格参数与实验数据相符合,误差小于1%;能带计算结果表明0.5NdAlO₃-0.5CaTiO₃为间接带隙,带隙值为0.52eV;费米面附近的能带由Nd-4f,O-2p,Nd-4p,Al-3p,Ti-4d层的电子态密度确定.同时也计算了该结构的介电函数,反射率和复折射率等光学性质.     

MgB2超导薄膜的微波测量

报道了利用蓝宝石介质谐振器技术测量MgB₂超导薄膜的微波表面电阻R_{s、0K时的穿透深度λ(0)和超导能隙Δ(0).λ(0)和Δ(0)的值是通过先测量样品穿透深度λ(T)的变化量Δλ(T)，然后由BCS理论模型拟合Δλ(T)的实验数据得到的.测试样 品是利用化学气相沉积技术在MgO(111)基片上制备的c轴织构的MgB2超导薄膜， 薄膜的超导转变温度和转变宽度分别为38K和01K.微波测试结果表明在10K，18GHz下M gB2薄膜的Rs约为100μΩ，可以和高质量的YBCO薄膜的Rs值相比拟；BCS理论拟合得到的MgB2超导薄膜的λ(0)=102nm，Δ(0)=113k Tc.}     

Heusler合金Li2AlX(X=Ga，In)的晶格动力学和电子特性

本文计算了Heusler合金Li₂AlGa和Li₂AlIn的晶格参数、体积模量、体积模量的一阶导数、 电子能带结构、声子色散曲线和声子态密度,并与密度泛函理论中的广义梯度近似计算结果进行比较. 计算的晶格参数与文献有很好的一致性. 两个Heusler合金的电子能带结构表明它们是半金属结构. 并利用声子色散曲线和声子密度图研究Heusler合金晶格动力学. Li₂AlGa和Li₂AlIn Heusler合金在基态呈现动力学稳定.     

高性能MgB2长线材制备及性能表征

采用原位粉末装管工艺，分别以Mg粉(99.5%)，无定形B粉(99.9%)为原料，以纳米SiC(10—30nm)作为掺杂材料制备铁基MgB₂线.首先将已混合的原料在丙酮介质中球磨，真空干燥后，将粉末填入铁管内，然后通过孔型轧制、旋锻和拉拔等冷加工工艺得到11m长外径Ф1.75mm铁基MgB₂超导线.用扫描电镜，电子能谱，X射线衍射仪和超导量子干涉仪测试发现，样品微观结构整齐，晶粒大小均匀，内部仅含微量MgO，T_C(onset)=35.1K，ΔT_C＝5.3K.纳米SiC掺杂后，其中C造成MgB₂晶格畸变，形成有效磁通钉扎中心，C元素在MgB₂中分布均匀.标准四引线测试结果表明，11m线均分10段后，各点的J_c(4.2K,10T)均超过1.0×10⁴A/cm^{2，最高值达到1.2×104A/cm2.在10—18T范围各点临界电流值分布均匀，变化率小于10%.}     

萤石结构TiO2的电子结构和光学性质

利用第一性原理计算了立方相萤石TiO₂的晶胞参数，能带结构和电子态密度.结果显示萤石TiO₂属于间接带隙半导体材料，其间接禁带宽度(Γ→X)E_g为2.07eV，比常见的金红石和锐钛矿TiO₂的禁带宽度窄.为了更清楚地了解萤石的光学性质，利用Kramers-Kronig色散关系，分别对萤石和金红石TiO₂的复介电常数、吸收率等参数进行了计算，并将二者结果做了     

YFeO3的电子结构和光学性质的第一性原理研究

稀土正铁氧体YFeO₃呈正交钙钛矿结构,其晶体和纳米晶材料在电极材料、 传感器和光催化领域具有重要的应用价值.用平面波赝势方法,采用广义梯度近似、改进的Perdew-Burke-Emzerhof交换-关联势、 实空间超软赝势计算方案,研究了YFeO₃晶体的几何结构、电子结构和光学性质. 计算得到的晶格参量与报道的实验结果一致.通过对能带结构、态密度、介电函数、吸收系数和光电导率的计算和分析, 确定YFeO₃是直接能隙半导体,能隙E_g约为2.22 eV,阐明了YFeO₃晶体和纳米晶具有较好的可见光催化性能.     

BC5力学性质的第一性原理计算

采用平面波赝势密度泛函理论方法对0—60 GPa静水压下BC₅ 六角晶系P3m1和四方晶系I4m2结构的平衡态晶格常数、弹性常数、各向异性以及泊松比与Cauchy扰动进行了研究. 研究结果表明, BC₅的两种结构在高压下是稳定的, 且不可压缩性随着压强的增加而增大. 另外, 对其电子结构也进行了计算, 计算结果表明, BC₅存在一个较宽的带隙, 两种原子间有较强的共价杂化, 材料的性质主要由B的2p¹和C的2p²态电子共同决定. 压强对材料带隙和费米能级附近的态密度几乎没有影响, 只引起微小的漂移, 可推断其很好的高压稳定性.     

Au-MgB2-Au纳米结点的负微分电阻效应

运用密度泛函理论结合非平衡格林函数的方法对MgB₂直线原子链与两半无限Au(100)电极构成纳米结点的电子输运特性进行了第一性原理计算．在模拟Au-MgB₂-Au纳米结点的拉伸过程中,计算了结点在不同距离下的结合能与电导．结果发现结点的Au?B键长为1.90 ?,B-Mg键长为2.22 ?时,结合能最大,结构最稳定,此时结点平衡电导为0.51G₀ (G₀=2e²/h)．通过计算投影态密度发现电子通     

Two-band calculations on the upper critical field of superconductor NbSe2

Based on two-band Ginzburg–Landau theory, we study the temperature dependence of upper critical field for superconducting crystal NbSe₂. The results reproduce the experimental data in a broad temperature range, especially the upward curvature near the transition temperature. Our calculations also indicate that in NbSe₂ the band with the smaller gap is almost isotropic, and most probably located on the bonding Nb Fermi sheets.     

Properties of anisotropic s-wave superconductivity in MgB2

Earlier this year a new type of high-temperature superconductivity has been reported in MgB₂ with a transition temperature of 39 K. In a recent paper we proposed a simple BCS model with an anisotropic s-wave order parameter which accounts for the available thermodynamic and scanning tunneling microscopy data obtained from polycrystalline palets of MgB₂. In this work, we further investigate the physical consequences of this theory by calculating the temperature dependence of the thermal conductivity, the nuclear spin relaxation rate, and the angular dependence of the upper critical field.     

Anisotropy and temperature dependence of the first critical field in 2H–NbS2

We report on μ$\mu$ Hall probe measurements on single crystals of 2H–NbS₂. This compound is the only superconducting 2H-dichalcogenide which does not develop a charge density wave. At low temperature and low magnetic field, a Bean profile is observed, allowing to evaluate the critical current. Moreover, the anisotropy and temperature dependence of the first critical field in 2H–NbS₂ was measured down to 1.2 K. A linear temperature dependence of the first penetration field is clearly observed. The absolute magnetic penetration depth is found to be 83 nm which is slightly reduced compared to the iso-structural compound 2H–NbSe₂.     

Magnetic field dependence of vortex activation energy: A comparison between MgB2, NbSe2 and Bi2Sr2Ca2Cu3O10 superconductors

The dissipative mechanism at low current density is compared in three different classes of superconductors. This is achieved by measuring the resistance as a function of temperature and magnetic field in clean polycrystalline samples of NbSe₂, MgB₂ and Bi₂Sr₂Ca₂Cu₃O₁₀ (BSCCO) superconductors. Thermally activated flux flow behaviour is seen in all the three systems and clearly identified in bulk MgB₂. While the activation energy at low fields for MgB₂ is comparable to Bi₂Sr₂Ca₂Cu₃O₁₀, its field dependence follows a parabolic behaviour unlike a power-law dependence seen in Bi₂Sr₂Ca₂Cu₃O₁₀. We analyse our results based on Kramer’s scaling for grain boundary pinning in MgB₂ and NbSe₂.      

Angular dependence of magnetoresistivity in c-oriented MgB thin film

The anisotropy of MgB₂ is still under debate: its value, strongly dependent on the kind of sample and on the measuring method, ranges between 1.2 and 13. In this work we present our results on MgB₂ c-oriented superconducting thin film. To evaluate the anisotropy, we followed two different approaches. Firstly, magnetoresistivity was measured as a function of temperature at selected magnetic fields applied both parallel and perpendicular to the c-axis; secondly, we measured magnetoresistivity at selected temperatures and magnetic fields, varying the angle θ between the magnetic field and the c-axis. The anisotropy estimated from the ratio between the upper critical fields parallel and perpendicular to the c-axis and the one obtained in the framework of the scaling approach within the anisotropic Ginzburg-Landau theory are different but show a similar trend in the temperature dependence. Some differences in the upper critical field and in its anisotropy of our film with respect to single crystals are emphasized: some of these aspects can be accounted for by an analysis of upper critical fields within a two-band model in presence of disorder and/or crystallographic strain. Received 12 July 2002 / Received in final form 17 September 2002 Published online 29 November 2002     

Anisotropy of the upper critical field in MgB<Subscript>2</Subscript>: The two-band Ginzburg-Landau theory

The temperature dependence of the anisotropy parameter of the upper critical field \(\gamma _{H_{c2} } (T) = H_{c2}^\parallel (T)/H_{c2}^ \bot (T)\) is calculated using the two-band Ginzburg-Landau theory for layered superconductors. It is shown that the anisotropy parameter γ(T) increases with decreasing temperature. The results of the calculations are in agreement with experimental data for single crystals of MgB₂ and with other calculations.     

Two-band nature of upper critical fields in MgB2 thin films investigated by 37 T pulsed magnet

We present experimental and calculated phase diagrams of the upper critical field H_c2 and the anisotropy parameter γ of various MgB₂ thin films prepared by the molecular beam epitaxy (MBE) and the multiple-targets sputtering system. Experimental data of the H_c2(T) and γ are analyzed by fitting the Gurevich theory. We obtained the result that for these MgB₂ films the H_c2(T) is explained as the case of D_π/D_σ>1, which means the films are classified to the cleaner π band than the σ band. We discuss temperature dependence of the transition width obtained from the magnetoresistance measurements.     

The upper critical field in two-band layered superconductors

The upper critical field of clean MgB₂ is investigated using the two-band layered Ginzburg--Landau (GL) theory. The calculated results are fitted to the experimental data of clean MgB₂ crystal very well in a broad temperature range. Based on the GL theory for clean superconductors, a phenomenological theory for dirty superconductor is proposed. Selecting appropriate parameters, two-band layered GL theory is successfully applied to the crystal of Mg(B_1-xC_x)₂ and the neutron irradiation samples of MgB₂.     

Enhancement of the upper critical field of MgB2 by carbon-doping

We have measured the temperature dependence of the upper critical field, H_c2(T), of carbon-doped MgB₂. H_c2(T) does not follow the well-known Werthamer-Helfand-Hohenberg (WHH) result for a one-gap dirty superconductor but can be described well by the result of a recent theoretical calculation for a two-gap dirty superconductor. H_c2(0) of the carbon-doped material is determined to be between 29 and 38 T, substantially higher than that of pure MgB₂ (15-23 T).