钙钛矿锰氧化物La_(2/3)Sr_(1/3)Fe_xMn_(1-x)O_3的结构与磁性研究

本文利用溶胶-凝胶法制备了名义成分为La_(2/3)Sr_(1/3)Fe_xMn_(1-x)O_3(x=0.0,0.1,0.2,0.3,0.5)的系列样品,样品先后经过773,873,1073 K热处理,热处理时采用缓慢升温方式,X射线衍射分析表明,该系列样品均为单相钙钛矿结构,空间群为R3c,利用X'Pert HighScore Plus软件计算了样品的晶粒尺寸、晶格常数、晶胞体积及键长、键角,利用物理性能测量系统测量了样品的磁性,发现样品在10K的磁矩随掺杂量的增加而减小,但存在两个明显不同的变化区域:从x=0到x=0.2时,平均每个分子的磁矩从2.72μB迅速下降到0.33μB,居里温度从327 K下降到95 K,下降了232 K;而从x=0.2到x=0.5时,平均每个分子的磁矩从0.33μB缓慢下降到0.05μB,居里温度从95K下降到46K,只下降了49K,我们认为Fe与Mn离子磁矩反平行是样品磁矩随Fe掺杂量增加而下降的原因之一。     

Magnetocaloric effect in La0.75Sr0.25MnO3 manganite

The polycrystalline manganite La_0.75Sr_0.25MnO₃ prepared by an alternative carbonate precipitation route reveals the rhombohedral perovskite structure. Magnetization isotherms measured up to 2 T are used to determine Curie temperature of 332 K by means of Arrott plot. Maximum of magnetic entropy change is found at Curie temperature. The relative cooling power equal to 64 J/kg for 1.5 T magnetic field, is superior as compared to the manganite with the same chemical composition from the sol-gel method.     

Effect of biaxial strain and hydrostatic pressure on the magnetic properties of bilayer CrI3

Two-dimensional van der Waals magnetic materials are intriguing for applications in the future spintronics devices, so it is crucial to explore strategy to control the magnetic properties. Here, we carried out first-principles calculations and Monte Carlo simulations to investigate the effect of biaxial strain and hydrostatic pressure on the magnetic properties of the bilayer CrI₃. We found that the magnetic anisotropy, intralayer and interlayer exchange interactions, and Curie temperature can be tuned by biaxial strain and hydrostatic pressure. Large compressive biaxial strain may induce a ferromagneticto-antiferromagnetic transition of both CrI₃ layers. The hydrostatic pressure could enhance the intralayer exchange interaction significantly and hence largely boost the Curie temperature. The effect of the biaxial strain and hydrostatic pressure revealed in the bilayer CrI₃ may be generalized to other two-dimensional magnetic materials.     

Ho2Fe17Cx的结构与磁性

用快速急冷方法制备了Ho₂Fe₁₇C_x化合物,研究了它们的形成、结构与磁性。这些化合物在高温下是稳定的,随C含量的增加,晶体结构由六角Th₂Ni₁₇型转变为菱形Th₂Zn₁₇型。测量了Ho₂Fe₁₇C_x化合物在1.5K和室温下的饱和磁化强度,得到每个Fe原子磁矩近似与C含量无关。C原子的引 关键词：     

Nd0.5Sr0.4Pb0.1MnO3的结构和磁性

通过室温下的中子衍射和磁性测量对多晶样品Nd_0.5Sr_0.4Pb_{0 .1}MnO₃ 的结构和磁性进行了实验研究.中子衍射结果表明，该样品具有正交的钙钛矿结构，空间群 是Pnma，即结构发生了晶场畸变.由M-T和R-T曲线可知，居里温度T_C=273 K ，其特征是随着温度的增加样品经历了从铁磁金属态转变到顺磁半导态，且转变温度T _p＝225 K；用锰氧化物晶场和双交换作用的竞争解 关键词： 结构 磁性 中子衍射 晶场畸变 p')" href="#">转变温度T_p 双交换作用     

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.     

非晶态Fe86M4Zr10合金的磁性和电性

本文研究了非晶态Fe₈₆M₄Zr₁₀(M=V,Cr,Mn,Fe,CO,Ni,Cu,B,Si)合金的基本磁性和低温电性,讨论了不同元素M的掺杂对FeZr合金居里温度和磁矩的影响,并用相干交换散射模型解释了样品在居里温度附近出现的电阻率极小。 关键词：     

Ba(Mg1/3Nb2/3)O3电子结构第一性原理计算及光学性能研究

Ba(Mg_1/3Nb_2/3)O₃ (BMN)复合钙钛矿陶瓷具有高介电常数和高品质因子等介电性能, 预示了其在光学领域的应用前景. 本文采用第一性原理方法计算了BMN的电子结构, 对其本征光学性能进行分析和预测. 对固相合成六方相BMN的XRD 测试结果进行Rietveld精修(加权方差因子R_wp=6.73%, 方差因子R_p=5.05%), 在此基础上建立晶体结构模型并对其进行几何优化. 运用基于密度泛函理论(DFT)的平面波赝势方法, 对六方相BMN晶体模型的能带、态密度和光学性质进行理论计算. 结果表明BMN的能带结构为间接带隙, 禁带宽度E_g=2.728 eV. Mg-O和Ba-O以离子键结合为主, Nb-O以共价键结合为主, 费米面附近的能带主要由O-2p和Nb-4d 态电子占据, 形成了d-p轨道杂化. 修正带隙后, 计算了BMN沿[100]和[001]方向上的复介电函数、吸收系数和反射率等光学性质. 结果表明, BMN近乎光学各向同性, 在可见光区, 其本征透过率为77%< T <83%, 折射率为1.91< n <2.14, 并伴随一定的色散现象. 实验测试结果与理论计算结果相吻合.     

Cr掺杂对BaxSr1-xRuO3体系磁性和输运性质的影响

本文采用固相反应法制备了BaxSr1-xRuO3和BaxSr1-xRu0.9Cr0.1O3两组样品,对比研究了它们磁性和电输运性质.当掺杂量少于0.2时,体系处于有少许畸变的钙钛矿的3C结构,Cr的掺入很大幅度提高了体系的铁磁转变温度Tc,电输运性质上也由坏金属行为转变为Mott绝缘体的行为,并且在铁磁相变附近出现电阻拐点.当掺杂量大于等于0.2时,体系发生结构相变,由畸变钙钛矿3C结构变为6 M的单斜结构.这时,Cr的掺入对体系的影响并不明显.这些结果表明引起SrRuO3铁磁转变温度升高的Ru+5-O-Cr+3相互作用对晶格结构有强烈的依赖关系.     

Electronic energy gaps and optical properties of LaMnO3

We investigate electronic structure and optical properties of LaMnO₃ through density-functional-theory calculations with a recent improved exchange potential. Calculated gaps are consistent with recent experimental values, and calculated optical conductivities and dielectric constants as functions of photon energy are in excellent agreement with low-temperature experimental results. These lead to a satisfactory theoretical understanding of the electronic gaps and optical properties of LaMnO₃ without tuning atomic parameters and can help elucidate electronic structures and magnetic properties of other manganite materials.     

直接利用磁场和温度精确确定磁性材料La0.67Ca0.33MnO3和Pr0.7Sr0.3MnO3的电阻率

电阻率是研究钙钛矿结构锰氧化物磁性材料的重要参数之一,它与温度和外加磁场有密切关系.本文的工作之一是寻找合适的方法,确定在金属-绝缘体转换过程中,不同磁场情况下,材料La0.67Ca0.33MnO3和Pr0.7Sr0.3MnO3的电阻率随温度变化的数学解析关系.通过非线性数值拟合,找到了满足这一关系的函数为双曲正切修正的高斯函数.同时,获得金属-绝缘体转换时居里温度Tc满足的微分方程以及与该温度对应的最大电阻率ρmax.本文的另一个工作是寻求最大电阻率ρmax和磁场之间的函数关系,发现采用玻尔兹曼函数可以精确反映两者之间的数学联系.两项工作得到的数学拟合结果与实验数据之间的最小相关系数为0.998,最大平均相对误差4.35％,说明数据拟合的结果与实验结果十分符合.     

Magnetic pair making and breaking effect of Ru in La0.7Sr0.3Mn0.9Ru0.1O3 and La0.5Sr0.5Co0.9Ru0.1O3

The substitutional effect of Ru on the magnetic and transport properties of double exchange ferromagnets, La_0.7Sr_0.3MnO₃ and La_0.5Sr_0.5CoO₃ has been investigated. It is found that substitution of 10% Ru at the Mn site of La_0.7Sr_0.3MnO₃ decreases the Curie temperature by 20 K than that of the parent compound. However, a large decrease in the Curie temperature, ΔT_c80 K and the system undergoes a transition from metallic state to insulating state is observed when 10% Ru is doped in La_0.5Sr_0.5CoO₃. The marginal effect of Ru in the Mn–O–Mn sublattice in comparison to the Co–O–Co sublattice could be due to the magnetic exchange interaction between Mn and Ru by virtue of the fact that Ru exhibits variable valence states, Ru⁺⁴/Ru⁺⁵. The e_g and t_2g parentage of Ru⁺⁵ is similar to Mn⁺⁴ and therefore, Ru⁺⁵ ion appears to participate in the double exchange mediated ferromagnetic (FM) interaction. On the other hand, Ruthenium (IV) ion disrupts an intermediate spin state of cobalt (Co⁺³: t_2g⁵e_g¹), forcing a double exchange FM state to anti-FM state.     

Direct measurement of the magnetocaloric effect in La0.67Ca0.33MnO3

Polycrystalline perovskite La_0.67Ca_0.33MnO₃ was synthesized by a sol–gel method. Its adiabatic temperature change ΔT_ad induced by a magnetic field change was measured directly. At 268 K, near its Curie temperature T_C, ΔT_ad of La_0.67Ca_0.33MnO₃ induced by a magnetic field change of 2.02 T reaches 2.4 K. The latent heat Q and magnetic entropy change −ΔS_M induced by a magnetic field change were calculated from the temperature dependence of ΔT_ad and zero-field heat capacity C_p. The maximum values of Q and −ΔS_M in La_0.67Ca_0.33MnO₃ induced by a magnetic field change of 2.02 T are 1.85 J g⁻¹ and 6.9 J kg⁻¹ K⁻¹, respectively. The former is larger than the phase transition latent heat of heating or cooling, which is about 1.70 J g⁻¹.     

The theory of a noncollinear ferromagnetism of the U3X4 compounds

In order to describe magnetic properties of U₃X₄ compounds a model is proposed, which contains, besides isotropic exchange, uniaxial exchange anisotropy and three-axial crystal field term. Semiclassical considerations lead to a noncollinear, three-axial, ground state configuration and stability conditions for such an ordering are found. The behaviour of the system with the external magnetic field of different orientations is discussed at zero-temperature. There is no saturation in any direction and asymptotic formulas for magnetization at the high fields and for the initial susceptibility tensor are given. An expression for the Curie temperature is obtained in the simplest molecular field approximation. The model seems to explain qualitatively the experimental data.     

Magnetic properties of the ternary carbides Tm2Fe17Cx

We have investigated the crystallographic and magnetic properties of the ternary carbides Tm₂Fe₁₇C_x by means of X-ray diffraction, ⁵⁷Fe Mössbauer spectroscopy, ¹⁶⁹Tm Mössbauer spectroscopy and magnetic measurements. It is shown that small amounts of carbon raise the Curie temperature in Tm₂Fe₁₇C_x from below room temperature to about 500 K, at the same time increasing the average Fe moment. Important conclusions regarding the rare-earth sublattice anisotropy were derived from the quadrupole splitting of the ¹⁶⁹Tm Mössbauer spectra and from the strong concentration dependence of the spin reorientation temperature in Tm₂Fe₁₇C_x.     

Dy3Al5O12磁热性质研究

用量子理论计算了Dy₃Al₅O₁₂的晶场能谱、Zeeman劈裂能级和波函数. 在外磁场H_e为0<H_e<9 T, 温度为3<T<42 K 范围内, 计算了该晶体的磁矩、磁熵变, 计算结果与相关实验数据吻合较好. 该计算结果表明, Dy₃Al₅O₁₂内磁性离子间的交换作用非常微弱, 可以忽略. 从理论上给出了绝热退磁过程中温度变化ΔT与T的关系, 并与Gd₃Ga₅O₁₂晶体进行了比较, 发现不同外磁场下, Dy₃Al₅O₁₂和Gd₃Ga₅O₁₂的低温制冷性能在不同温区有差别. 在进行低温(T<10 K)制冷时, 若外磁场较低, 选择Dy₃Al₅O₁₂作为磁制冷材料较好; 若外磁场较高, 选择Gd₃Ga₅O₁₂作为磁制冷材料较好.     

Ground state properties of CsCoCl3

The electronic spectra of CsCoCl₃ are fit to a Hamiltonian that includes terms for interelectron repulsion, octahedral and trigonal crystal fields, and spin-orbit coupling. The fit adequately accounts for both the optical spectrum and the electronic Raman spectrum. The fitted parameters give empirical estimates of the radial expectation values 〈r^?1〉 and 〈r^?3〉 as well as the charge on the cobalt. The ground state wave functions generated from the fit are used to calculate the following properties: parallel and perpendicular g factors, Co hyperfine field, ⁵⁹Co quadrupole splitting, anisotropy of magnetic exchange, the magnetic moment of Co²⁺, and the spin flop field. The agreement between calculated values and observed values for this variety of independently obtained properties is reasonable in all cases.     

La1.3Sr1.7Mn2O7/SrTiO3-Nb异质结的整流和光伏特性

采用脉冲激光沉积法在SrTiO₃:0.7%Nb(100)单晶衬底上生长了La_1.3Sr_1.7Mn₂O₇(LSMO)薄膜, 并 研究了LSMO/SrTiO₃-Nb异质结的输运性质和光伏效应. 研究发现, 异质结具有良好的整流特征和明显的光生伏特效应. 在532 nm激光辐照下, 光生电压随温度升高先增大后减小, 并且在150 K达到最大值400 mV, 此温度点与LSMO薄膜发生金属-绝缘体转变的温度一致, 这表明异质结的光生伏特效应受LSMO薄膜内部的输运特征调控. 进一步, 从光生电压随时间的变化曲线中分析发现, 上升沿符合一阶指数函数, 这与载流子的迁移过程相关; 而下降沿符合二阶指数函数, 这与结两侧载流子的外部回路中和以及材料内部的电子-空穴湮灭有关. 值得注意的是, 上升沿和下降沿的时间常数均随着温度先增大后减小, 且最大值均出现在LSMO薄膜的金属-绝缘转变温度.     

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     

Magnetic and magnetocaloric properties of martensitic Ni2Mn1.4Sn0.6 Heusler alloy

The evolutions of magnetic properties at low temperatures and the influence of magnetic field on the temperature dependence of specific heat in martensitic Ni₂Mn_1.4Sn_0.6 Heusler alloy are studied. The frequency-dependent blocking temperature and considerable exchange bias below it are measured in the martensitic phase. From the analysis of the specific heat curves under magnetic field, a large inverse magnetocaloric effect manifested as the magnetic field induced rise of isothermal magnetic entropy and/or magnetic field induced adiabatic temperature decrease in the vicinity of the reverse magnetostructural transformation and a significant value of the conventional magnetocaloric effect at the Curie temperature are obtained. The Debye temperature and electronic coefficient equal to Θ_D=310±2 K and γ= 16.6±0.3 mJ/K²mol, respectively, do not depend on the magnetic field.