Fe位Al掺杂对Sr2FeMoO6磁结构和磁输运性质的影响

研究了Sr2Fe1-xAlxMoO6(0≤x≤0.30)系列多晶样品的磁学和输运性质.室温X射线衍射谱图的精修结果显示Al3+掺杂没有改变样品的晶格结构,但提高了Sr2FeMoO6晶格的阳离子有序度.5K时样品的磁化曲线说明平均单位分子饱和磁矩随着Al含量的增加而下降,但平均单位Fe离子磁矩却逐渐提高.磁化曲线的拟合结果显示样品内反铁磁相互作用对饱和磁矩的贡献随着Al含量的增加而下降,说明一定量的Fe离子被Al替代后,抑制了样品内Fe-O-Fe反相边界的形成,从而提高了Sr2FeMoO6晶格的阳离子有序度和平均单位Fe离子磁矩.对饱和磁矩的分析表明非磁性Al3+离子掺杂会形成无磁相互作用的Mo-O-Al-O-Mo区,可以将原来较大的Mo-O-Fe亚铁磁区分割成许多小的区域,并且使这些亚铁磁区间的磁耦合作用变弱,从而提高了低场磁电阻效应.阳离子有序度的提高使来源于自旋相关电子在反相边界处散射的高场磁电阻明显降低,导致了样品的磁电阻在x=0.15时达到了最大值.     

Sr2Fe1－xCoxMoO6体系中Co的元素替代效应

在成功制备具有双钙钛矿结构Sr₂Fe_1-xCo_xMoO₆系列样品的基础上，对其结构、输运性质和磁性质进行了系统研究.结果发现，随着Co替代浓度x值的增加，样品的电阻率-温度关系由半金属行为转变为半导体行为，其室温电阻率从3.9×10^-5Ω·cm增大到6.0×10^-1Ω·cm；样品由亚铁磁体转变成反铁磁体，其磁相变温度T_N值也随之下降; Co对Fe的部分替代使其磁电阻效应受到抑制.基于对其电子结构的分析，其磁电阻效应的起源以及Co的元素替代效应也在文中进行了讨论. 关键词： 双钙钛矿结构 2FeMoO₆')" href="#">Sr₂FeMoO₆ 磁电阻     

二价金属元素掺杂对LiCoO2体系电子输运性质的影响

为了解释Ca掺杂与Mg掺杂在影响锂离子二次电池正极材料LiCoO₂体系电子输运性质方面的不同效应，采用基于密度泛函理论的第一性原理方法研究了该体系的电子结构.计算结果表明，虽然在LiCoO₂体系中用Ca或Mg替代Co都会在费米能级附近产生部分占据的受主带，但两者对应的电子态都具有明显的局域化特征；此外，与Mg掺杂体系明显不同的是，Ca掺杂体系的受主带与价带之间存在清晰的带隙.这一带隙的存在正是Ca掺杂不能明显提高LiCoO₂体系电导率的主要原因.此外，Ca²⁺与Mg²⁺离子半径的较大差别也是造成这两个掺杂体系的电导率存在明显差异的一个重要因素.     

Al掺杂浓度对CrSi2电子结构及光学性质的影响

采用基于第一性原理的赝势平面波方法,对不同Al掺杂浓度CrSi2的几何结构、能带结构、态密度和光学性质进行了计算和比较。几何结构和电子结构的计算表明:Al掺杂使得CrSi2的晶格常数a和b增大,c变化不大,晶格体积增大;Cr(Si1-xAlx)2仍然是间接带隙半导体,掺杂使得费米面向价带移动,且随着掺杂量的增大而更深地嵌入价带中,费米能级附近的电子态密度主要由Cr的3d态电子贡献。光学性质计算表明,随着掺杂量的增大,Cr(Si1-xAlx)2的静态介电常数、第一介电峰、折射率n0逐渐增大,平均反射效应减弱,表明Al掺杂有效增强了CrSi2对光的吸收,能够提高其光电转换效率。计算结果为CrSi2光电材料的应用和设计提供了理论指导。     

双钙钛矿Sr2CrWO6的磁性与输运性质研究

研究了双钙钛矿Sr₂CrWO₆的磁性和输运性质.Sr₂CrWO₆多晶在Ar气及真空气氛中经固相烧结而形成.X射线衍射分析表明主相为Sr₂CrWO₆,少量杂相为SrWO₄.热磁测量表明样品的居里温度为480K左右.电阻随温度降低而升高,类似于绝缘体,在外场5T,低温下(25K)磁致电阻(MR)可达20%,但MR随温度升高而趋于零.较大的矫顽力(5.97×1 关键词： 双钙钛矿氧化物 磁性质 磁致电阻     

LaBa2Cu3-xZnxOy体系的结构和输运性质研究

我们用固相反应法合成了LaBa2Cu3-xZnxOy（0≤x≤1．0）系列样品．X-光衍射分析显示，在整个掺杂区内皆为正交结构，晶格常数α，b和c随掺杂量的增加略有增大．Zn含量的增加使体系正常态的电阻率上升．红外光谱（限）表明：对于不掺杂的样品，在531cm^-1和583cm^-1附近有两个显著的吸收峰，随掺杂量x的增加前者基本不移动，后者则向高频移动，强度略有减小．电子顺磁共振实验（EPR）揭示了Zn掺杂对Cu^2＋的自旋关联行为的影响．本文讨论了掺杂对结构、输运性质和自旋关联的影响．     

Ca掺杂Nd1.85Ce0.15CuO4-δ体系的输运性质研究

为了研究Nd_1.85Ce_0.15CuO_4-δ体系中载流子的电荷性质，分别在Nd_1.85Ce_0.15CuO_4-δ中用Ca^2＋取代Nd^3＋制备了Nd_1.85-xCe_0.15Ca_xCuO_4-δ样品，在Nd₂CuO_{4-δ< 关键词：}     

Al和Sn离子掺杂对La1.2Ca1.8Mn2O7输运性质的影响

研究了Al和Sn离子掺杂对层状钙钛矿结构锰氧化物La1.2Ca1.8Mn2O7输运性质的影响.发现Al,Sn掺杂后样品电阻率增加,并且半导体导电区域电阻值与可变程跃迁导电模型符合得较好;同时掺杂样品金属-绝缘转变温度逐步降低,最大磁电阻值比未掺杂样品增大.     

NdNi2Ge2化合物的结构和电磁输运性质

利用非自耗真空电弧熔炼法制备了NdNi₂Ge₂化合物样品,采用X射线粉末衍射技术和Rietveld全谱拟合分析方法测定了其晶体结构. 结果显示该化合物的空间群为I4/mmm,点阵参数为:a=4.120(1),c=9.835(0),Z=2,Nd原子占据2a晶位,Ni原子占据4d晶位,Ge原子占据4e晶位. NdNi₂Ge₂化合物呈现顺磁性,应用居里-外斯定律拟合计算得到居里-外斯常数为25.8,居里-外斯温度为6.24 K. 有效势磁矩为3.69μ_B,这与理论计算Nd³⁺的磁矩相符,表明磁矩主要源于Nd³⁺. 电阻率变化范围为0.3 Ω ·μm^-1-1 Ω ·μm,电阻曲线拟合显示NdNi₂Ge₂呈半金属性. 关键词： 2Ge₂')" href="#">NdNi₂Ge₂ Rietveld结构精修 电磁输运     

Fe掺杂对自旋梯状化合物Sr14(Cu1－yFey)24O41的结构和电输运性质的影响

采用常规的固相合成法分别制备了Fe³⁺掺杂和2/3Fe³⁺+1/3Fe²⁺混合Fe离子掺杂的两组Sr₁₄(Cu_1-yFe_y)₂₄O₄₁系列样品.X射线衍射分析显示，当Fe³⁺离子的掺杂量y≤0.03以及2/3Fe³⁺+1/3Fe²⁺混合Fe离子掺杂量y≤0.02时，样 关键词： 强关联电子系统 自旋梯状结构化合物 晶体结构 电输运性质     

Effect of disorder on the electronic structure of the double perovskite Sr2FeMoO6

Recently, Sr₂FeMoO₆ has been established as a new colossal magnetoresistance material with substantial low-field magnetoresistance at room temperature and has attracted much attention in the double perovskite family. This material always appears with a certain degree of miss-site disorder where Fe and Mo interchange their positions. Using renormalized perturbation expansion, we calculate the density of states and determine the variation of the critical temperature in the low disorder regime.     

空穴掺杂Sr2FeMoO6的晶体结构及磁性研究

采用传统高温固相反应法制备了空穴掺杂的系列样品Sr2xKxFeMoO6（0≤x≤0．04）,研究了其晶体结构和磁性质．X射线粉末衍射结果表明该系列样品均为单相,四方晶系,空间群为I4／m．碱金属K的含量可以调控反位缺陷的浓度．未掺杂样品Sr2FeM006在280K时的原胞磁矩为1．12μB．掺杂量为x=0．04样品的原胞磁矩为1．26μB．阳离子有序、晶格畸变是影响Sr2-xKxFeMoO6磁性的重要因素．     

Effect of La doping on magnetotransport and magnetic properties of double perovskite Sr2FeMoO6 system

We have investigated the magnetotransport and magnetic properties on polycrystalline samples of Sr_2−xLa_xFeMoO₆ (x=0$x=0$, 0.2, 0.4, 0.6, 0.8 and 1.0). The magnitude of intergrain tunneling magnetoresistance with low magnetic field of 0.88 T for x=0.2$x=0.2$ and 0.4$0.4$ samples are as large as 5% and 7% at room temperature and 13% and 10% at 10 K, respectively. The increase of coercivity (_Hc$H_{\mathrm{c}}$), ratio of remanent magnetization with respect to saturation magnetization (_Mr/_Ms$M_{\mathrm{r}}/M_{\mathrm{s}}$), high saturation fields, and reduction of the saturation magnetization indicate that random disorder of spin orientation is mainly responsible for enhancement of the low-field magnetoresistance for samples with x?0.4$x?0.4$. Whereas rapid drop of _Hc$H_{\mathrm{c}}$, _Mr/_Ms$M_{\mathrm{r}}/M_{\mathrm{s}}$, _Mr$M_{\mathrm{r}}$, and saturation fields for samples with x>0.4$x>0.4$ signifies the growth of antiphase boundary, which gives rise to lower values of low-field MR.     

Influence of V substitution for Fe on the transport and magnetic properties of Sr2FeMoO6

We have investigated the crystal structure, magnetization and magnetoresistance of the double perovskite compounds Sr₂(Fe_1−xV_x)MoO₆ (0≤x≤0.1). The lattice constants and the cation ordering decrease monotonously with the V content. The Curie temperature, saturation magnetization and low field magnetoresistance of the compounds decrease with increasing x due to the reduced degree of ordering. The resistivity of Sr₂FeMoO₆ and lightly doped samples shows semiconductive behavior, while the samples with higher doping levels exhibit a semiconductor-metal transition around 80 K.     

Electronic structure of Sr2FeMoO6

We have used electron spectroscopies to investigate the electronic structure of the double perovskite Sr₂FeMoO₆. The valence-band photoemission spectra present a well-defined cut-off at the Fermi level, indicative of the metallic character of the material. The O 1s X-ray absorption spectrum presents three peaks, which are in good correspondence with the main structures in the unoccupied density-of-states of DF-LDA calculations. The electron energy-loss spectra present two structures which are also interpreted in terms of transitions between the bands obtained in the DF-LDA calculations.     

Mn位W掺杂对La0.3Ca0.7MnO3体系磁结构的影响

通过对La_0.3Ca_0.7Mn_1-xW_xO₃(x=0.00，0.04，0.08，0.12，0.15)多晶样品M-T曲线、M-H曲线及ESR谱的测量，研究了Mn位W掺杂对电荷有序体系La_0.3Ca_0.7MnO₃磁结构的影响.结果表明，当掺杂量为0.00≤x≤0.08时，体系存在电荷有序(CO)相，AFM/CO态共存于相变温度以下，电荷有序温度T_CO随着W掺杂量的增加而增加；x＝0.04时，样品在低温下为FM相与AFM/CO相共存，在CO相建立前、后均有FM从PM中分离出来；当x≥0.12时，CO态融化，在极低温度下存在顺磁-铁磁(PM-FM)相变. 关键词： 磁结构 电荷有序 融化 Mn位掺杂     

Influence of preparation method on SrMoO4 impurity content and magnetotransport properties of double perovskite Sr2FeMoO6 polycrystals

The magnetic and electric properties of the Sr₂FeMoO₆ compound produced under different preparation conditions were studied. Depending on the preparation condition, a strong variation in the nonmagnetic SrMoO₄ impurity content was found, which in turn determined the metallic or semiconducting behavior of the resistivity of the Sr₂FeMoO₆ compound. There was also evidence that SrMoO₄ played a crucial role in modifying the low magnetic field intergrain tunneling magnetoresistance in Sr₂FeMoO₆. In addition, we have established a simple method to prepare the single phase Sr₂FeMoO₆ polycrystals.     

Synthesis,magnetic and electrical transport properties of magnetoresistance material Sr2FeMoO6 by microwave sintering

Magnetoresistance material Sr₂FeMoO₆ with double perovskite structure was synthesized by microwave sintering method using SrCO₃, Fe₂O₃ and MoO₃ as raw materials, with MnO₂ for microwave absorber. The phase structure, magnetic and electrical transport properties were investigated by X-ray powder diffraction (XRD) and vibrating-sample magnetometer. XRD analysis shows that the as-synthesized sample is Sr₂FeMoO₆ with tetragonal crystal structure and I4/mmm space group. The unit cell parameters are a=0.5587 nm, c=0.7894 nm, volume=0.2464 nm³. The calculated grain size of the sample is 31.62 nm, which is obtained by the Scherrer formula using the diffraction data. Magnetism testing results show that the sample Sr₂FeMoO₆ is ferromagnetic with the magnetic transition temperature of about 380 K. Under 1.0 T magnetic field, the saturation and spontaneous magnetization of Sr₂FeMoO₆ is 1.25 μ_B/f.u. and 1.00 μ_B/f.u. at room temperature. The magnetoresistance ratio of the sample is 28%. Electrical transport properties testing results indicate that the sample exhibits typical semiconductor behavior. The conductive mechanism of Sr₂FeMoO₆ is highly dependent on temperature: within the temperature range of 100–300 K, the mechanism is attributed to the small polaron variable-range hopping model; while it is ascribed to the adiabatic small polaron model within the temperature range of 80–100 K.     

Microwave absorption properties of Sr2FeMoO6 nanoparticles

The microwave absorption properties of nanosized double perovskite Sr₂FeMoO₆ and epoxy resin composites were investigated in the frequency range of 2-18 GHz using the coaxial method. The Sr₂FeMoO₆ composites with an optimal 20 wt% epoxy resin showed a strong electromagnetic attenuation of −49.3 dB at 8.58 GHz with a matching thickness of 2.15 mm. Moreover the optimum absorption frequency at which the reflection loss is less than −20 dB, which corresponds to 99% reflection loss of the incident microwave, is from 5.7 to 13.2 GHz with the matching thickness ranging from 3.0 to 1.5 mm. The excellent microwave-absorption properties are a consequence of a proper electromagnetic match due to the existence of the insulating matrix of anti-site defects and anti-phase domains, which not only contribute to the dielectric loss but also to the reduced eddy current loss.