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.     

Level density and thermal properties in rare earth nuclei

A convergent method to extract the nuclear level density and the γ-ray strength function from primary γ-ray spectra has been established. Thermodynamical quantities have been obtained within the microcanonical and canonical ensemble theory. Structures in the caloric curve and in the heat capacity curve are interpreted as fingerprints of breaking of Cooper pairs and quenching of pairing correlations. The strength function can be described using models and common parametrizations for the E1, M1, and pygmy resonance strength. However, a significant decrease of the pygmy resonance strength at finite temperatures has been observed.     

稀土掺杂硼铝硅酸盐玻璃的析晶特性及其微观结构

借助差热分析测定了稀土掺杂BaO-Al2O3-B2O3-SiO2玻璃的热稳定性。采用XRD和TEM/EDS研究了在不同热处理条件下M玻璃样品的失透、析晶过程的微观结构。结果表明:随着稀土掺量的逐渐增加,玻璃的热稳定性是先提高后降低;玻璃的失透首先由分相造成,稀土离子大量富集在富硼铝相中,热处理温度越高,玻璃的分相和析晶越明显,玻璃的析晶产物为SmAl2.07(B4O10)O0.6晶体;热处理过程中铝氧多面体的稳定性优于硼氧多面体。     

稀土元素(Y,La)掺杂ZnO的电子结构和光学性质

采用基于密度泛函理论的第一性原理平面波超软赝势方法,计算了未掺杂ZnO和稀土(Y,La)掺杂ZnO体系的空间结构、能带、电子态密度与光学性质.结果表明,掺杂后体系的形成能减小,稳定性变强,带隙展宽,费米能级进入导带中,体系呈金属性,载流子发生简并,形成简并半导体.定性分析了掺杂后光学性质的变化. 关键词： 氧化锌 掺杂 第一性原理     

Electronic structure and self-assembling processes in platinum metalloporphyrins: photoemission and AFM studies

The main goal of this paper is to investigate the electronic structure of valence band and core levels as well as surface topography of pristine tetraphenylporphyrin and Pt-based compounds Pt-TPP(p-COOH₃)₄, Pt-TPP(m-OCH₃)₄, PtCl₂-TPP(m-OCH₃)₄ thin films. The electronic structure of various Pt-based metalloporphyrins which were investigated in dependence on their chemical structure and spectra were measured by high-resolution X-ray photoelectron spectroscopy (XPS) of valence band and Pt4f, Pt4d, C1s, O1s, N1s core levels. Results of atomic force microscopy (AFM) studies of topography and self-assembling processes in thin films of porphyrines are presented and discussed.     

Electronic structure and luminescence characteristics of rare earth free self-activated Ca2Sb2O7 blue emitting phosphor

Over the past few years, extensive research has been focused on the development of rare-earth-free phosphors to achieve energy-efficient and cost-effective WLEDs with high luminous efficiencies for solid-state lighting applications. Herein, we report a novel rare-earth-free self-activated blue phosphor Ca₂Sb₂O₇, synthesized by solid-state reaction method. The electronic structure and bandgap of the material were determined by the density functional theory (DFT + U) method using Perdew-Burke-Ernzerhof (PBE) exchange-correlation functional. The prepared phosphor could be effectively excited in the range 280–370 nm resulting in a broad blue emission band, owing to the Sb⁵⁺ → O²⁻ transition in the (SbO₆)^7- group. The CIE chromaticity coordinates were found to be (0.144, 0.097) indicating intense blue emission with high color purity of 89%. Also, the prepared phosphor has good thermal stability and an internal quantum efficiency of 24%. All these results indicate that self-activated Ca₂Sb₂O₇ could be a potential blue phosphor for lighting and display devices.     

Spin structure of some Sm-phase light-heavy rare earth alloys

The magnetic structures and ordered moments of alloys between Tb, Dy and Ho and Pr and Nd have been determined from neutron diffraction data on polycrystalline samples. The observed magnetic scattering is discussed in terms of the ordering on the hexagonal and cubic sites, respectively.     

Band structure and the fermi surface of rare earth metal europium

In order to understand consistently the origin of the helical spin ordering of the bcc Eu observed below T_N = 91 K, we have calculated the band structure and investigated the detailed shape of the Fermi surface, by the KKR method. The present results are compared with those of the previous calculations.     

Radio-frequency spectrum analyzers based on rare earth ion doped crystals

We review recent demonstrations of wide band radio frequency (rf) spectral analyzers based on spectral hole burning technology. The optically carried rf signal can be analyzed with sub-MHz resolution over tens of GHz instantaneous bandwidth. PACS 42.50.Md; 76.30.Kg; 42.79.Hp; 95.55.Fm; 95.55.Jz     

稀土金属间化合物的晶体结构及其标准X射线衍射数据

文章结合作者的科研工作,介绍了新的稀土金属间化合物及其晶体结构与标准X射线衍射数据的研究.     

On the electronic structure of the light rare earth hydrides

Photoemission (XPS, HeI) and inverse photoemission (hv=9.7 eV) data on Y, La, Ce, Pr and their hydrides are presented. The discussion focusses on the ground state electronic properties of the hydrides and in particular on the empty density of states. In addition the correlation effects which appear in these experimental techniques in the presentce of well localized, partly filled 4f states are stressed. Hybridization is displayed in three typical situations:a) The very existence of a weak 4f-conduction band mixing allows electronic transitions into 4f derived states to be observed by low energy BIS, although the cross section is exceedingly small at this energy-b) 3d core excitation pulls the empty 4f levels close to the hydrogen ligand levels such that they become strongly mixed and the screening level is markedly split-c) A schematic relation is found between core level shifts upon hydriding, charge transfer and the position of the hydrogen induced band, simply by considering the mixing of hydrogen ligand states with metald states.     

Crystal field effect in the thermal expansion of hexagonal rare earth compounds

The low temperature thermal expansion in hexagonal rare earth materials exhibits crystal field effects. These are quantitatively explained with a magnetoelastic coupling of Γ₁-symmetry strains to a 1=2 quadrupolar operator of the magnetic ion. For PrNi₅ the temperature dependence of both c- and a-axis thermal expansion is correctly accounted for. For dhcp Pr both the cubic and the hexagonal sites of the Pr-ions contribute to the thermal expansion. The magnetoelastic coupling constants are an order of magnitude larger than for cubic compounds.     

Spontaneous magnetostriction and thermal expansibility of TmFeO3 and LuFeO3 rare earth orthoferrites

At low temperatures the TmFeO₃ orthoferrite shows a strong spontaneous magnetostriction generated by rare earth Tm atoms. This effect essentially depends on the temperature and orientation of the weak ferromagnetism vector of the Fe sublattice and reaches largest values for the directions [1 0 0] and [0 0 1]. The spin reorientation process in TmFeO₃ marks itself mainly in the change of the signs of the linear thermal expansion coefficients in the directions mentioned above. Some additional singularities of thermal dependencies of expansion coefficients are observed below 20 K, which may be due to a magnetic compensation effect in the investigated orthoferrite.     

Crystal field effect in the thermal expansion of cubic rare earth compounds

We report on evidence of crystal-electric-field effects in the low temperature thermal expansion of various rocksalt-type rare earth compounds (PrSb, SmSb, ErSb, TmSb, CeTe, TmTe). From our measurements we deduce the volume dependence of the energy splitting between the lowest crystal field levels and we calculate magnetoelastic coupling parameters involving the volume strain.     

Effects of O ions beam irradiation on crystal structure of rare earth sesquioxides

We report the results of ion irradiation influence on rare earth sesquioxides structure, which are materials of practical importance as a radiation resistant ceramics in nuclear applications. Y₂O₃, Gd₂O₃ and Er₂O₃ sesquioxides in the pellet form were irradiated by oxygen ions (O²⁺) beam with the energy of 30 keV and implantation fluence of 5 × 10²⁰ m⁻². Samples are characterized by Grazing Incidence X-ray Diffraction (GIXRD), Raman spectroscopy and atomic force microscopy (AFM). By GIXRD it was found partial transformation from cubic (C) to monoclinic (B) phase only in Gd₂O₃, induced by O²⁺ irradiation. This was confirmed by Raman spectroscopy. Although full phase transition from C to B phase in Y₂O₃ was not observed, the splitting and broadening of the main intensity Raman band for C phase could be explained by the stress and the disorder induced by the quenching. Analysis done by AFM showed changes in surface topology, i.e. values of average roughness (Ra) and root mean squared roughness (RMS) were significantly changed after irradiation for all samples. RMSs in Y₂O₃ before and after irradiation were 35 nm and 26 nm, respectively.     

Electronic structure of the surface of rare Earth metals

A qualitative model describing the surface of rare earth metals with an uncompleted 4f electron shell (Ce-Yb) and the process of thermal evaporation from this surface is proposed. The model is based on a correlation established between the energies of the lowest-lying levels of the 4f^N?15d6s² configuration and the temperatures of equal saturated-vapor pressures of these metals.     

稀土对镁合金应力腐蚀影响电子理论研究

建立了镁合金纯净晶界及其析出Mg₁₇Al₁₂相的晶界原子集团，应用实空间的递归方法计算了铝、稀土元素在晶界的偏聚能，晶界处铝、稀土原子间相互作用能和不同体系的费米能级.讨论了铝、稀土在晶界的偏聚行为，铝、稀土原子间的相互作用与有序化的关系及稀土对镁合金晶间应力腐蚀影响的物理本质.研究发现：铝、稀土原子偏聚于晶界；铝原子间相互排斥，在晶界区形成有序相Mg₁₇Al₁₂，稀土原子间互相吸引，形成原子团簇；稀土原子团吸引铝原子，使铝原子渗入稀土团簇中，形成稀土化合物.因此，稀土具有抑制铝在晶界形成导致应力腐蚀的阴极相Mg₁₇Al₁₂的作用，提高镁合金的晶间应力腐蚀抗力. 关键词： 电子理论 镁合金 应力腐蚀 稀土