磁性离子Fe和Ni替代YBCO体系的结构特征和载流子局域化

为阐明磁性离子在不同替代位置对YBCO体系超导电性的影响机制，利用正电子湮没及相关实验手段结合数值模拟，系统研究了Fe和Ni掺杂的YBa₂Cu₃O_7-δ体系. 结果表明，Fe和Ni离子在替代过程中均以离子团簇的形式进入晶格. 当离子进入CuO₂面时，由于团簇改变了周围的电子结构，造成电子的局域化，并直接影响了电子对的配对和输运，因而强烈抑制了体系的超导电性.而当掺杂离子进入Cu-O链区时，它们同样通过团簇的形式改变周围 关键词： YBCO超导体 磁性离子替代 正电子湮没 数值模拟     

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.     

掺杂ZnTe对电子结构与磁性质的影响

为了研究Mn、Fe、Co、Ni掺杂ZnTe的电子结构和磁性的相关性质.本文基于第一性原理的数值基组的方法计算了Mn、Fe、Co、Ni掺杂ZnTe的能带结构、态密度,分析了掺杂结构的稳定性和磁性性质.结果发现Mn、Fe、Co、Ni掺杂ZnTe的杂质替换能分别为-1.14 e V,-1.23 e V,39.95 e V,-4.32 eV,表明Mn、Fe、Ni掺杂的ZnTe在实验上较容易实现.Mn、Co掺杂ZnTe导致体系产生的总磁矩分别为0.997μB,1.103μB,其中磁性的主要来源于Mn、Co原子在Zn位的取代而引起,产生局域磁性主要取决于Mn、Co的d轨道与Te的p轨道耦合作用.     

Gd掺杂ErNi2B2C体系的超导和磁特性研究

本文研究了Gd掺杂对Er1-xGdxNi2B2C体系超导和磁转变行为的影响.随着稀土元素Gd逐步替代Er,体系的超导电性被强烈抑制,反铁磁转变温度逐渐升高.本文就Gd掺杂对体系超导和磁性的影响机制进行了讨论,并基于DG因子模型,对实验结果进行了分析.     

Mn、Ti掺杂对NaxCoO2体系超导电性和电荷有序化影响

本文研究了Mn、Ti掺杂对Na0.3Co1-xMxO2·1.3H2O超导电性和 Na0.5Co1-xMxO2材料电荷有序现象的影响.我们成功合成了Na0.7Co1-xMxO2(M= Mn和Ti,0≤x≤0.1)系列样品,并采用不同强度氧化剂氧化脱钠,分别获得Na0.5Co1-xMxO2和水合物Na0.3Co1-xMxO2·1.3H2O (0≤x≤0.1, M= Mn和Ti).X射线衍射分析表明所有样品都是比较好的单相,它们的晶格常数随着Ti和Mn的含量发生系列变化.物性检测显示Na0.3Co1-xMxO2·1.3H2O的超导电性随着Mn和Ti掺杂量的增加明显减弱,在Mn掺杂为x=0.02 或Ti掺杂为x=0.01时其超导电性消失;磁性检测发现随着掺杂量的增加,Na0.5Co1-xMxO2电荷有序态被逐渐破坏,其中掺Mn比掺Ti对电荷有序化行为的影响更为明显.     

Fe和Co离子在YBCO中团簇效应的理论和实验研究

通过数值模拟计算和正电子湮没等方法,系统研究了磁性离子Fe和Co掺杂的YBCO系列样品,结果表明,小掺杂量时离子以分散形式存在,随着掺杂量增大,离子以不同的团簇形式进入晶格,并通过团簇带入氧离子.在Cu-O链区域六离子团簇出现的几率最大,团簇效应抑制了空穴载流子的产生及其向CuO2面区域的转移,弱化了载流子库的功能.然而由于它们仅间接影响了电子的配对和输运,因而对超导电性抑制较弱.另外,通过与非磁性离子掺杂效应等因素比较,显示出Fe和Co掺杂对超导电性抑制与其磁性没有直接关联.     

FeMn掺杂AlN薄膜的制备及其特性研究

采用直流磁控共溅射技术, 以Ar与N₂为源气体, 硅片为衬底成功地制备了Fe, Mn掺杂AlN薄膜. 利用X射线衍射和拉曼光谱研究了工作电流、靶基距离等工艺参数的改变对薄膜结构的影响. 利用扫描电子显微镜和能谱分析仪对薄膜的表面形貌和组成成分进行了分析. 利用振动样品磁强计在室温下对Fe, Mn掺杂AlN薄膜进行了磁性表征. Mn掺杂AlN薄膜表现出顺磁性的原因可能是由于Mn掺杂浓度较高, 在沉积过程部分Mn以团簇的形式存在, 反铁磁性的Mn团簇减弱了体系的铁磁交换作用. Fe掺杂AlN薄膜表现出室温铁磁性, 这可能是AlFeN三元化合物作用的结果. 随着Fe 掺杂AlN薄膜中Fe原子浓度从6.81%增加到16.17%, 其饱和磁化强度M_s由0.27 emu·cm^-3逐渐下降到0.20 emu·cm^-3, 而矫顽力H_c则由57 Oe增大到115 Oe (1 Oe=79.5775 A/m), 这一现象与Fe离子间距离的缩短及反铁磁耦合作用增强有关. 关键词： 直流磁控共溅射 氮化铝薄膜 结构 磁性     

过渡金属离子掺杂对La1.2Ca1.8Mn2O7输运性质的影响

研究了过渡金属元素掺杂对层状钙钛矿结构锰氧化物La1.2Ca1.8Mn2O7体系输运性质的影响.实验结果表明不同过渡金属离子掺杂均导致体系的金属-绝缘转变温度降低,电阻率与最大磁电阻值(Cr除外)增加.当掺杂量较高时,磁性Cr、Fe、Co、Ni离子对体系性质的影响与其磁性相互作用密切相关.     

Ge-S/F共掺杂对Li2MSiO4(M=Mn,Fe)晶体结构和性能影响的理论研究

基于密度泛函理论的第一性原理平面波赝势法,结合广义梯度近似(GGA+U),系统研究了Ge-S/F共掺杂对Li₂MSiO₄ (M=Mn,Fe)晶体结构稳定性和电化学性能的影响.计算结果表明Ge-S/F共掺杂Li₂MSiO₄ (M=Mn,Fe)体系在脱锂过程中均会发生Li和M的位置交换,与Li₂MSiO₄(M=Mn,Fe)相比,掺杂体系具有更好的韧性,且锂离子在掺杂体系中更容易迁移.同时发生了位置交换的掺杂体系结构在脱锂过程中大多更为稳定,尤其是Li₂Mn_0.5Ge_0.5SiO_3.5S_0.5在整个脱锂过程中体积变化均很小,说明其具有良好的结构循环稳定性.此外,Ge-S/F共掺杂均降低了Li₂MSiO₄ (M=Mn,Fe)的理论平均脱嵌电压.结合态密度图和磁矩结果分析表明,Ge-S/F共掺杂可以提高Li     

掺杂MgCNi3超导电性和磁性的第一性原理研究

从第一性原理出发，计算了MgCNi₃的电子能带结构.MgCNi₃中C 2p与Ni 3d轨道杂化使穿梭费米面上的Ni 3d能带表现出平面性，费米面落在态密度范霍夫奇异(vHs)峰的右坡上.vHs峰上大的电子态密度和铁磁相变点附近的自旋涨落是决定MgCNi₃超导电性的重要因素.研究了三种替代式掺杂对其超导电性和磁性的影响，发现电子掺杂使费米能级下滑到态密度较低的位置，导致体系转变为无超导电性的顺磁相；同构等价电子数的金属间化合物的轨道杂化，引起费米面上态密度的减少，降低了超导电性；而空穴掺杂使费米面向vHs峰值方向移动，虽然费米面上电子态密度增大可能提高超导电性，但增强了的Ni原子磁交换作用产生铁磁序，破坏了超导电性. 关键词： 电子结构 超导电性 磁性 掺杂     

Ru掺杂La0.7Ca0.2Ba0.1Mn1-xRuxO3的磁性和输运性质

利用固相反应法制备了Ru掺杂La0.7Ca0.2Ba0.1Mn1-xRuxO3(x=0～0.06)的多晶样品,探讨了Ru掺杂对体系结构,输运性质以及磁电阻的影响.多晶X射线衍射证实所有样品均保持简单立方钙钛矿结构.通过零场冷却(ZFC)和加场冷却(FC)下的磁化曲线的测量发现随温度降低样品发生了顺磁(PM)到铁磁(FM)的相变,且样品的居里温度(Tc)随Ru掺杂发生了显著的变化,从x=0.00时的306.7K,下降到x=0.02时的294.3K,紧接着又上升到x=0.04时的302.4K.测得居里温度明显高于La0.7Ca0.2Ba0.1Mn1-xMoxO3体系,而且其磁性也大为增强.由零场和外加磁场H=1T测量得到样品的ρ～T曲线表明随温度降低样品同时发生了从绝缘体到金属的转变,绝缘体-金属转变温度低于相应的居里温度.适量的Ru掺杂降低了样品的电阻率,增强了低温时的磁电阻.     

铁基超导体Fe1+yTe1-xSex中磁性的中子散射研究

本文对本研究组主要的研究领域——利用中子散射研究铁基超导体系Fe_1+yTe_1-xSe_x中磁性与超导的相互作用进行简要综述. Fe_1+yTe_1-xSe_x具有和其他铁基、铜基超导体相似的相图——母相Fe_1+yTe是反铁磁体, 随着Se掺杂的增加, 母相的反铁磁序受到抑制, 随后在x～30%处体超导出现, 在x～50%处达到最佳掺杂, 此时超导转变温度T_c～ 15 K, 达到整个体系在常压下的T_c最大值. 它们的相图又存在着差别: 在相图末端, 即当Se掺杂达100%时, Fe_1+ySe 仍然超导, T_c～8 K. 该体系母相磁有序的面内波矢大致为(0.5,0) (采用每个原胞含2个铁原子的四方结构), 随着Se含量的增加, 在超导逐渐发展的同时, 磁激发谱的谱重被逐渐转移到波矢为(0.5,0.5) 处. (0.5,0.5) 处在温度低于T_c 时出现中子-自旋共振峰. 施加外磁场后, 超导受到抑制, 该共振峰也被压制. 从这些实验结果我们得到以下的结论: 在这个体系中磁性和超导紧密耦合在一起——(0.5,0) 处的静态磁有序与超导互相竞争, (0.5,0.5) 附近的自旋激发则可能对超导电性的形成具有重要的促进作用. 本文还将简要讨论磁性的来源和3d 过渡金属的替代效应.     

Doping dependent evolution of magnetism and superconductivity in Eu(1-x)K(x)Fe2As2 (x = 0-1) and temperature dependence of the lower critical field H(c1)

We have synthesized polycrystalline samples of Eu(1-x)K(x)Fe2As2 (x = 0-1) and carried out systematic characterization using x-ray diffraction, ac and dc magnetic susceptibility, and electrical resistivity measurements. A clear signature of the coexistence of a superconducting transition (T(c) = 5.5 K) with spin density wave (SDW) ordering is observed in our underdoped sample with x = 0.15. The SDW transition disappears completely for the x = 0.3 sample and superconductivity arises below 20 K. The superconducting transition temperature Tc increases with increase in the K content and a maximum Tc = 33 K is reached for x = 0.5, beyond which it decreases again. The doping dependent Tx phase diagram is extracted from the magnetic and electrical transport data. It is found that magnetic ordering of Eu moments coexists with the superconductivity up to x = 0.6. The isothermal magnetization data taken at 2 K for the doped samples suggest the 2+ valence state of the Eu ions. We also present the temperature dependence of the lower critical field H(c1) of the superconducting polycrystalline samples. The values of H(c1)(0) obtained for x = 0.3, 0.5, and 0.7 after taking the demagnetization factor into account are 202, 330, and 212 Oe, respectively. The London penetration depth λ(T) calculated from the lower critical field does not show exponential dependence at low temperature, as would be expected for a fully gapped clean s-wave superconductor. In contrast, it shows a T2 power law feature up to T = 0.3Tc, as observed in Ba(1-x)K(x)Fe2As2 and BaFe(2-x)Co(x)As2.     

La1.85-xSr0.15+xCu1-xMxO4(M = Cr, Mn, Fe, Co, Ga, Al)体系的输运性质研究

利用Ｘ－光衍射,电阻率和电势等实验手段,系统地研究了Ｌａ１．８５－ｘＳｒ０．１５＋ｘＣｕ１－ｘＭｘＯ４（Ｍ＝Ｃｒ,Ｍｎ,Ｆｅ,Ｃｏ,Ｇａ ａｎｄ Ａｌ）体系的结构和输运性质。结果表明;所有的三阶离子掺杂都能在较低的掺杂浓度下抑制超导电性,并且引起金属到绝缘体的转变。磁性离子和非磁性离子掺杂引起显著不同的热电势变化,并用ｄ－ｐ杂化态的变化和局域自旋散射来进行分析讨论。     

Local measurement of the superfluid density in the pnictide superconductor Ba(Fe(1-x)Co(x))(2)As(2) across the superconducting dome

We measure the penetration depth λab(T) in Ba(Fe(1-x)Co(x))(2)As(2) using local techniques that do not average over the sample. The superfluid density ρs(T) ≡ 1/λab(T)2 has three main features. First, ρs (T = 0) falls sharply on the underdoped side of the dome. Second, λab(T) is flat at low T at optimal doping, indicating fully gapped superconductivity, but varies more strongly in underdoped and overdoped samples, consistent with either a power law or a small second gap. Third, ρs (T) varies steeply near Tc for optimal and underdoping. These observations are consistent with an interplay between magnetic and superconducting phases.     

Er1-xDyxNi2B2C体系中超导和磁性的共存和相互作用

本在2K～20K温区内系统地研究了Er1-xDyxNi2B2C体系中超导转变温度Tc的反铁磁转变温度TN随Dy掺杂含量x的变化．实验发现x=0．3和x=0．8附近的样品具有复杂的磁结构．这些洋品有两个磁转变温度(TN’和TN)．对于该体系发现了两个主要的特征：1)在x=0．3附近，超导被抑制，TN’出现一个小的峰值；2)在x=0．8附近，Tc出现一个低谷，TN’出现一个大的宽峰．TN’在x=0．3和x=0．8附近的异常来源于改系统中超导和磁性的共存和相互作用。     

Magnetism and superconductivity in Eu(Fe_(1-x)Ni_x)As_2(x= 0,0.04)

We report Eu-local-spin magnetism and Ni-doping-induced superconductivity(SC)in a 112-type ferroarsenide system Eu(Fe_(1-x)Ni_x)As_2.The non-doped EuFeAs_2exhibits two primary magnetic transitions at ~100 and ~40 K,probably associated with a spin-density-wave(SDW)transition and an antiferromagnetic ordering in the Fe and Eu sublattices,respectively.Two additional successive transitions possibly related to Eu-spin modulations appear at 15.5 and 6.5 K.For the Ni-doped sample with x=0.04,the SDW transition disappears,and SC emerges at T_c=17.5 K.The Eu-spin ordering remains at around 40 K,followed by the possible reentrant magnetic modulations with enhanced spin canting.Consequently,SC coexists with a weak spontaneous magnetization below 6.2 K in Eu(Fe_(0.96)Ni_(0.04))As_2,which provides a complementary playground for the study of the interplay between SC and magnetism.     

Onset of magnetism in concentrated ternary alloys II: Laves phase compounds A(Fe1-xBx)2 (A = Y,Zr, U; B = Mn,Co and Al)

The onset of magnetism as a function of concentration and the magnetic properties of nine ternary Laves phase systems A(Fe_1-xB_x)₂ (A=Y, Zr, U; B=Mn, Co and Al) are discussed in terms of homogeneous and heterogeneous models based on the SEW model and the Landau theory of phase transition of second order. A significant influence of the nomagnetic elements Y, Zr and U upon the Fe magnetic moment substituted by Mn, Co and Al is observed. Low temperature freezing phenomena affect the magnetization process around the critical concentration x_c in Y and Zr compounds while they seem to be of minor importance for the U systems. Comparing the magnetic properties of these nine systems implies that the magnetization process becomes more homogeneous in the sequence of Y-, Zr- and U(Fe, B)₂ compounds. This - together with volume considerations and the different magnetovolume effects observed as well as susceptibility measurements lead to the suggestion that the Fe moment tends to become more delocalized as one proceeds from Y to U compounds as a consequence of the growing extent to which Y, Zr, U d-electrons are hybridized with the 3d electrons. Furthermore, U can be regarded as tetravalent in these Laves phase compounds, except UAl₂, in which presumably an admixture of U³⁺ and U⁴⁺ occurs.     

Superconductivity recurrence and charge carrier compensation effect in La2−xSrxCu0.94M0.06O4 (M = Fe,Co and Ni) system

In this paper, the substitution effect of Sr for La in three non-superconducting system La_2−xSr_xCu_0.94M_0.06O₄ (M = Fe, Co and Ni) have been systematically studied. As the concentration of Sr increases to around 0.20, the superconductivity is recovered. The peak at 695 cm⁻¹ in the infrared spectra which is assigned to the stretching mode of oxygen atoms in plane induced by M³⁺ doping is suppressed by Sr increasing, demonstrating that the holes introduced by the Sr substitution have been injected into the CuO₂ plane and compensate the localized electrons. These results suggest that the superconductivity recurrence is caused by the carrier compensation. The main origin of superconductivity suppression by the magnetic ions Fe/Co/Ni is the carrier localization effect.     

Capture of polarized electrons from Fe(110) into excited terms of fast atoms scattered at grazing incidence

We observe the emission of circularly polarized light after grazing scattering of fast ions at a magnetized Fe(110) surface. Changing the state of magnetization of the target affects the polarization of the emitted light due to capture of spin polarized electrons. Some aspects of atom-surface interaction and investigations of surface magnetism are discussed.