To the theory of the superconductive phase in rare earth metal compounds

Using the theory of the superconductive phase in rare earth metal compounds, we have considered the thermodynamic, highfrequency and kinetic properties of the rare earth superconductors both in paramagnetic and in superconductive states. The superconductive phase transition temperature was calculated on the basis of the two-band model. It is shown that an increase in critical temperature is possible.     

Anomalous thermal expansion of intermediate valence compounds

A low temperature anomaly in the thermal expansion is predicted for all rare earth compounds with an intermediate valence. The anomaly is caused by a logarithmic variation of the f-electron self-energy with temperature. The sign of the anomaly depends on the Hund's rule correlations of the rare earth ions and is predicted unequivocally by the theory.     

The microscopic theory of the superconductive phase in rare earth metal compounds

The microscopic theory of the superconductive phase in rare earth metal compounds is constructed by contour averages mathematical method. It is shown that in the superconductive phase the effect of exchange intensification occurs and the promotion of superconductive phase transition temperature is possible.     

On the origin of rare earth magnetostriction in compounds of perovskite-type structure

It has been shown that a gigantic rare earth magnetostriction is possible in a perovskite-type structure as well as in a garnet structure. Numerical calculations of multipole moments of the rare earth ion have allowed us to predict the directions of maximum values of magnetostriction in dysprosium aluminate. Measurements confirm the highly anisotropic character of magnetostriction in rare earth compounds of perovskite-type structure and show that the rare earth magnetostriction of compounds with different structures (garnets, perovskites) is determined mainly by the rare earth ion and not by their structures.     

稀土金属间化合物RFe2Zn20-xInx的结构属性研究

RFe2Zn20(R代表稀土元素)型稀土金属间化合物因其低稀土含量和良好的铁磁性,已成为铁磁材料的研究热点之一.添加第四组元对该系列化合物的晶体结构和材料性能会产生一定影响.利用晶格反演方法获得了一系列有效的原子间相互作用势,对三元RFe2Zn20和四元RFe2Zn20-xInx化合物进行原子级模拟计算.研究表明,随着稀土元素原子量的增加,三元体系的晶格参数和体积呈线性下降,第四组元引入与否对该线性关系无直接影响.第四组元In替代Zn时,择优占据16c晶位,占满16c后选择占据96g晶位,始终不占据48f晶位.择优占位的结论符合实验观测,并与晶格反演势分析的结果一致.     

Magnetic susceptibility of the itinerant-electron antiferromagnet containing magnetic impurities

The static magnetic susceptibility of an itinerant-electron antiferromagnet containing magnetic impurities, is calculated using the two-band model in the mean-field approximation. The temperature dependence of the magnetic moment of the impurity is also calculated. The theory proposes a model to explain the magnetic behaviour of the binary chromium alloys with the iron and cobalt as well as the magnetic behaviour of some rare earth compounds.     

Role of Dirac cones in magnetotransport properties of REFeAsO (RE = rare earth) oxypnictides

In this work we study the effect of the rare earth element in iron oxypnictides of composition REFeAsO (RE = rare earth). On one hand we carry out density functional theory calculations of the band structure, which evidence the multiband character of these compounds and the presence of Dirac cones along the Y-Γ and Z-R directions of the reciprocal space. On the other hand, we explore transport behavior by means of resistivity, Hall resistance and magnetoresistance measurements, which confirm the dominant role of Dirac cones. By combining our theoretical and experimental approaches, we extract information on effective masses, scattering rates and Fermi velocities for different rare earth elements.     

59Co NMR study of NdCo2, GdCo2, TbCo2 and HoCo2

We have observed the ⁵⁹Co spectra of the Laves phase Co compounds with Nd, Gd, Tb and Ho. We observe a spectrum consisting of a pair of lines for Nd, Tb and Ho compounds, because the Co sites are magnetically inequivalent in the presence of dipolar or pseudodipolar fields. For the heavy rare earth compounds, the magnitude of this splitting is comparable to the dipolar splitting produced by the neighboring spins, but for Nd it is much larger. The Nd compound is also anomalous in that the average hyperfine field is only 37.2 kOe while for the 3 heavy rare earth compounds it is about 60 kOe. The magnitude of the hyperfine field is discussed in terms of a simple model relating it to the cobalt moment and the rare earth spin.     

含稀土光学树脂的制备和性能研究

稀土高分子材料是通过稀土金属与高分子的复合而制备的一类兼具稀土光、电、磁等特性和高分子质轻、抗冲击和易加工等优良综合性能的功能材料。稀土高分子材料主要分为两大类型:一类是稀土化合物作为掺杂剂均匀分散到高分子的单体和聚合物中;第二类是稀土化合物以单体形式参与聚合或缩合以及稀土化合物配位在聚合物的侧链上获得的键合型稀土高分子材料。本文综述了国内外在稀土金属与高分子复合材料方面的研究进展及相关应用,介绍了本组在合成含稀土化合物和配合物光学树脂方面的研究情况,通过把稀土配合物复合到苯乙烯和甲基丙烯酸共聚体系中,获得了发光强度高、荧光寿命长、透光率高、机械性能好的光学树脂,并对今后工作方向进行了展望。     

Neutron scattering in intermetallics

Inelastic and elastic neutron scattering as a probe of long range and disordered magnetism is discussed for example cases in rare earth intermetallic crystalline compounds and amorphous analogues. The determination of the sublattice site magnetizations is illustrated for RFe₂ and Y₆(Mn_xFe_1−x)₂₃ compounds. The latter are shown to exhibit strong exchange disorder effects for intermediate compositions, as manifested by the development of short range antiferromagnetic clusters. The effect of randomization of the crystal field interaction in destroying long range order is illustrated in amorphous rare earth compounds and in rare earth compound hydrides. Results of inelastic scattering measurements on Laves phase Fe, Co, and Al compounds are summarized which yield exchange and crystal field parameters.     

Magnetic symmetry in rare intermetallic compounds with CaZn5 type of structure

New magnetic structures which can arise in rare earth intermetallic compounds with CaZn₅ type of structure are suggested using a well known group theoretical method derived from the Landau theory of the second order phase transitions. Only symmetry consideratations are taken into account.     

Susceptibility of rare earth compounds in the intermediate valence state

The thermodynamic potential of rare earth compounds in a mixed valent state is investigated by perturbation theoretical methods. Two types of contributions must be distinguished, the impurity terms and terms corresponding to interactions between different rare earth sites. For a large class of substances the latter are shown to be of minor importance. The susceptibility of the resulting theory is compared directly with the renormalization group calculations of Krishna-murthy, Wilson and Wilkins and with measured susceptibilities of-Ce, SmB₆, YbAl₃.     

Phonon properties of rare earth ytterbium pnictides

We report for the first time the complete phonon dispersion curves for the ytterbium pnictide compounds (YbN, YbP and YbAs) using a breathing shell model to establish their predominant ionic nature. The calculated results also show that this group of rare earth compounds does not show any elastic and phonon anomalies which are the characteristic features of other rare earth compounds. We emphasize the need for further Raman and neutron scattering measurements.     

稀土化合物Raman谱中荧光带的辨认

研究了三价稀土氧化物及退火结晶褐钇铌矿和褐铈铌矿在４８８０和５１４５ｎｍ激光激发下所得Ｒａｍａｎ光谱中的荧光带。结果表明,在这两种激光线激发下,Ｓｍ３＋、Ｅｕ３＋和Ｅｒ３＋的荧光对稀土化合物的Ｒａｍａｎ光谱有很大干扰。提出几种在稀土化合物Ｒａｍａｎ光谱中辨认荧光带的方法。     

Measurement of the First Hyperpolarizability of Rare Earth Compounds by Hyper-Rayleigh Scattering in Solution

The first hyperpolarizabilities βzzz of a hemicyanine chromophore dye and a new type chromophore, both containing rare earth complex anion, have been measured by Hyper-Rayleigh scattering in solution. The results showed that the nonlinear optical properties of these compounds have been improved by introducing the rare earth complex anion.     

Measurement of the First Hyperpolarizability of Rare Earth Compounds by Hyper-Rayleigh Scattering in Solution

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铸造锌铝合金稀土变质机理的电子理论研究

根据分子动力学理论建立了液态锌铝合金ZA27的模型，结合计算机编程构造出了ZA27合金α 相与液相共存时的原子结构模型，利用递归方法计算了稀土固溶于晶粒内和富集于结晶前沿 时的电子结构.由此得出：稀土处于相界区比在晶内更稳定，从而解释了稀土在α相内溶解 度很小，结晶时富集于结晶前沿液体中的事实；稀土处于液态和晶态的结构能差相对于铝较 大解释了稀土在相界前的富集使α晶枝产生熔断、游离、增殖的观点.原子间的键级积分计 算也表明，稀土处于结晶前沿液体中与铝相比不容易结晶到晶体表面，起到阻碍晶粒长大， 细化晶粒的作用，这就从电子层次解释了稀土的变质机理. 关键词： 电子结构 液固相界原子结构模型 稀土变质机理     

Electrical transport in rare earth ortho-chromites, -manganites and -ferrites

Rare earth ortho-chromites, -manganites and -ferrites are p-type semiconductors with conductivities in the range 10⁻⁴–10⁻¹ ohm⁻¹ cm⁻¹. The conductivity in each series of perovskites decreases with the increasing atomic number of the rare earth. The ionic contribution to conductivity is small in all the three series of solids. None of these solids exhibits intrinsic behavior up to ∼1000°C. The conductivity behaviors of these rare earth compounds reflect the known crystallographic, dielectric and magnetic transitions in these materials. Seebeck coefficients in these compounds are large, typical of narrow-band materials; the Seebeck coefficients show marked changes at temperatures where magnetic and dielectric transitions occur. The electrical transport properties of all the three series of rare earth compounds are essentially controlled by the d-electrons of the transition elements which show localized behavior. This conclusion is in agreement with the results from optical spectra and the predictions of Goodenough. In all these compounds small polarons seem to be responsible for the conduction.     

Renormalization of transversal phonons in mixed valent rare earth compounds

The possibility of a softening of transversal acoustic phonons in mixed valent rare earth compounds is demonstrated. The effect should be largest at the zone boundary.     

纳米晶体中稀土离子的发光性质及其变化机理研究

近年来, 纳米晶体中稀土离子发光性质的研究越来越受到人们的广泛关注, 这是因为纳米稀土发光材料在发光、高清显示、光电子纳米器件、生物荧光标记、激光和闪烁体等众多领域有着重要的应用前景。本项目采用软化学合成方法如水热法、溶胶-凝胶法等, 通过合成工艺的调控, 设计并合成出一系列不同颗粒尺寸、分散均匀、形貌可控的稀土离子掺杂氧化物(氟化物)微/纳米晶体, 利用激发、发射、漫反射以及高分辨激光光谱等光谱分析手段对其发光性质进行研究, 弄清影响发光行为的本质原因。同时, 结合光谱实验数据, 利用密度泛函理论和复杂晶体化学键介电理论方法进行理论计算, 成功解释了光谱变化规律和不同稀土离子间能量传递机理, 为相关稀土光谱研究奠定了理论和实验基础。