Superconducting properties of the oxygen vacancy phase of LnBa2Cu3Ox with Ln=Nd,Sm, Eu,Gd, Dy,Ho, Er,Tm and Yb

The temperature dependence of the resistivity for quickly quenched LnBa₂Cu_x ceramics, with with Ln=Nd, Sm, Eu, Gd, Dy, Ho, Er, Tm and Yb, has been investigated. It is shown that for the materials LnBa₂Cu₃O_x, with Ln=Sm, Eu, Gd, Dy, Ho, Er and Tm, the oxygen vacancy phase with T_c=60 K exists, although for the materials with Ln=Nd and Yb the existence of the T_c=60 K phase is not clear. The onset T_c of the T_c=60 K phase changes slightly depending on Ln involved in LnBa₂Cu₃O_x, Analysis of these data includes the determination of the lattice constants of the materials quenched at different temperatures.     

Magnetic and structural studies of the alloy system REIn0.5Ag0.5

The structural and magnetic properties of the alloy system REIn_0.5Ag_0.5 [RE = Gd, Tb, Dy, Ho, Er, Tm and Yb] are reported. All these alloys (except that of Yb) crystallize in a cubic CsCl type structure at room temperature. Low temperature X-ray diffraction data does not reveal any structural phase transformation down to 8 K. On the basis of magnetic susceptibility data at a different temperature (3–300 K) and applied magnetic field (2 × 10⁵ to 8 × 10⁶ A m^-1, it has been concluded that GdIn_0.5Ag_0.5 is ferromagnetic (T_c = 118 K), TbIn_0.5Ag_0.5 and DyIn_0.5Ag_0.5 are meta magnetic (T_N = 66 and 30 K, respectively) and alloys involving Ho, Er, Tm and Yb are ferrimagnetic with Néel temperatures (T_N) equal to 24, 22, 21 and 20 K, respectively. The evaluated effective magneton number (p) is found to be slightly larger compared to theoretical values for tripositive ions of Gd, Tb and Dy and a bit smaller for Ho, Er, Tm and Yb. The results have been qualitatively explained using appropriate theories.     

Structural relative stabilities and pressure-induced phase transitions for lanthanide trihydrides REH3 (RE=Sm,Gd, Tb,Dy, Ho,Er, Tm,and Lu)

The structures, structural relative stabilities, pressure-induced phase transitions, and equations of state for lanthanide trihydrides REH₃ (RE=Sm, Gd, Tb, Dy, Ho, Er, Tm, and Lu) are systematically studied using ab initio calculations under a core state model (CSM). The obtained ground-state parameters, such as lattice constants and bulk modulus, agree well with the available data. Among the P6₃/mm, P3?c1, and P6₃cm structures, the P6₃cm structure is found to be the most stable structure for lanthanide trihydride via the comparison of the calculated total energies. With the help of Birch–Murnaghan equation of state, the structural transitions from hexagonal to cubic for REH₃ (RE=Sm, Gd, Ho, Er, and Lu) under pressure are affirmed; especially, the similar behavior of REH₃ (RE= Tb, Dy, and Tm) is reasonably predicted for the first time by this means. For the transitions, the repulsive interactions of H–H atoms may play an important role in terms of the analysis of the structures in the vicinity of the theoretical phase transition.     

The contribution of 5d electrons to the saturation magnetic moments and magnetic hyperfine fields in the heavy rare earth metals

The main results of a model for 5d electrons in the heavy rare earth metals are presented. The model involves the use of wave functions based on published analyses for 4fⁿ5d6s² atomic configurations, and the spreading of each of these energy levels uniformly over a band of width W in the metals. Excess saturation magnetic moments above those of the tripositive ions can be explained by the model with W in the range 0.84±0.16eV in the five metals Gd, Tb, Dy, Er and Tm. The magnetic hyperfine fields in the metals include negative contributions from the 5d electrons which have been shown to amount to about ?250koe in Gd, Er and Tm.     

Magnetism and structural chemistry of ternary silicides: (RE,Th, U)Pt2Si2 (RE = rare earth)

Ternary silicides (RE, U, Th)Pt₂Si₂ have been prepared from the elements. All the compounds (RE= Y, La, Ce, Pr, Nd, Sm, Gd, Tb, Dy, Ho, Er, Tm, Yb, Lu and U, Th) were found to be isotypic and crystallize with the primitive tetragonal CePt₂Si₂-type structure closely related to the CaBe₂Ge₂-type. The magnetic properties of these alloys were studied in the temperature range 1.5 K < T < 1100 K and in fields up to 1.3 T revealing a typical Van Vleck paramagnetism of free RE³⁺-ions for temperatures T > 200 K. A nonmagnetic ground state is reflected from the magnetic susceptibility data of CePt₂Si₂, which are interpreted in terms of interconfiguration fluctuations (ICF). The magnetic results of SmPt₂Si₂ (μ_eff = 0.7 BM) compare well with the ideal Van Vleck behavior of Sm₃₊ ions with a $\text{J =}\text{5}\text{2}$ ground state and a low-lying excited first level $\text{J =}\text{7}\text{2}$. At temperatures below 40 K antiferromagnetic ordering is found for (Gd, Tb, U)Pt₂Si₂; whereas in case of (Dy, Ho, Er, Tm)Pt₂Si₂ the onset of ferromagnetism is indicated below 4 K. None of the samples exhibited a superconducting transition above 1.8 K.     

Effect of hydrostatic pressure on the elastic properties of some rare earth-iron laves phase compounds

The pressure dependence of the Young's and shear moduli of RFe₂ (R = Sm, Gd, Tb, Dy, Ho and Er) has been determined at room temperature in the pressure range between 0 and 1 GPa The elastic moduli of GdFe₂, DyFe₂, HoFe₂ and ErFe₂ show a moderate increase with increasing hydrostatic pressure However, the elastic moduli of SmFe₂ and TbFe₂ exhibit an initially drastic increase followed by a high, and linear, pressure dependence From the pressure and temperature derivatives of the elastic moduli of these RFe₂ Laves phase compounds the equations of state and the Gruneisen parameters have been derived The variation of the elastic properties with hydrostatic pressure is compared with the effect of magnetic fields The anomalous behavior of SmFe₂ and TbFe₂ is discussed.     

Magnetic properties and Mössbauer effect in R5Fe18B18 (R1+ϵFe4B4)

Samples whose dominant phase is R₅Fe₁₈B₁₈ (R = Y, La, Ce, Pr, Nd, Sm, Gd, Tb, Dy, Ho, Er, Lu) were prepared by arc melting and vacuum annealing.Low temperature differential susceptibility measurements on Nd₅Fe₁₈B₁₈ indicate a ferromagnetic transition at T ≈ 14K and perhaps a second magnetic transition at T ≈ 7K whose nature is not yet clear. Magnetic transitions were also observed in materials with R = Pr, Sm, Gd, Dy, Ho.Room temperature ⁵⁷Fe Mössbauer measurements showed all samples to be paramagnetic; the quadrupole splitting and isomer shift were determined. Low temperature Mössbauer measurements indicate no magnetic ordering of Fe down to 1.5 K.     

R(Fe1-xNix)11.3Nb0.7化合物的磁性

用X射线衍射和磁测量手段研究了Ni部分替代Fe对具有ThMn₁₂结构的Rfe_11.3Nb_0.7(R=Gd,Tb,Dy,Ho,Er和Y）化合物的结构与磁性的影响.研究表明,Ni部分替代Fe不改变晶体结构,但引起了晶胞体积收缩.随着Ni含量的增加,居里温度T_C迅速上升,而饱和磁化强度M_s则单调减小.Ni部分替代Fe还导致了Fe次晶格的轴各向异性的迅速降低和RF_11.3Nb_0.7(R=Tb,Dy,Er)化合物中自旋重取向温度T_sr的变化.T_sr与Ni含量的关系用晶场理论给出了定性的解释. 关键词：     

金属氢化物力学性能的第一性原理研究

采用第一性原理方法详细研究了氟化钙结构的多种金属氢化物MH₂ (M= La, Nd, Gd, Tb, Y, Dy, Ho, Er, Lu, Sc, Ti, Zr, Hf)的力学性质(弹性常数、体弹模量、剪切模量、杨氏模量).计算结果表明, MH₂ (M= La, Nd, Gd, Tb, Y, Dy, Ho, Er, Lu, Sc)在低温下具有稳定的氟化钙结构,其抵抗体积形变, 切应变和拉伸(或压缩)形变的能力从LaH₂, NdH₂, GdH₂, TbH₂, YH₂, DyH₂, HoH₂, ErH₂, LuH₂到ScH₂逐次递增, 而MH₂ (M= Ti, Zr, Hf)在低温下的氟化钙结构不稳定.通过对两种稳定的氢化物(TbH₂, ErH₂) 和两种不稳定的氢化物(TiH₂, HfH₂)的电子态密度以及差分电荷密度进行对比, 发现它们的稳定性与金属和氢之间的相互作用有密切关系.     

Magnetic properties of R2Pt compounds with R = Gd,Tb, Dy,Ho, Er and Tm

Magnetic properties of polycrystalline samples of R₂Pt compounds (R = Gd, Tb, Dy, Ho, Er and Tm) are presented. The Gd, Td, Dy, Ho based compounds are ferromagnetic with Curie temperatures ranging between 155 and 17 K. Er₂Pt and Tm₂Pt are antiferromagnetic with Néel temperatures of 9 and 5 K respectively. The observed properties are discussed considering indirect exchange interactions and crystal field effects acting on the rare earth ions which lies in very low symmetry sites.     

Electrical resistivity in intermetallic equiatomic RPt compounds with R  La,Pr, Nd,Gd, Tb,Dy, Ho and Er

We present the electrical resistivity measurements of equiatomic RPt compounds, with R  La, Pr, Nd, Gd, Tb, Dy, Ho and Er, which crystallize into two different orthorhombic structures. The different contributions to the total resistivity were separated. From the phonon contribution ϱ_p we estimated the Debye temperature θ_D of the different compounds. Except for GdPt, the increase of the magnetic resistivity above T_c arise from crystal field effects which are larger than those calculated in the point charge model. The paramagnetic Curie temperature and the saturated magnetic resistivity follow approximately the de Gennes law and allowed us to estimate effective mass and the exchange constant through the series.     

Magnetic order and hyperfine interactions in RFe6Al6 (R = rare earth)

The systems RFe₆Al₆(R = Y, Eu, Gd, Tb, Dy, Ho, Er, Tm and Yb) crystallize in the tetragonal body centered I4/mmm structure. In striking contrast to the magnetic behaviour of RFe₄Al₈ (weakly coupled R and Fe sublattices, complicated magnetic structure, low T_c ~ 130 K), in the RFe₆Al₆ systems all magnetic sublattices order simultaneously at a relatively high temperature. The magnetization curves start with low values at low temperatures and rise to very high values at T_max ~ 230 K and then drop to 0 at T_c ~ 330 K. All samples show strong hysteresis effects at temperatures just below T_max. Mossbauer studies of ⁵⁷Fe in the (f) and (j) sites and ¹⁵¹Eu, ¹⁵⁵Gd, ¹⁶¹Dy, ¹⁶⁶Er and ¹⁷⁰Yb in the (a) site yield all hyperfine interaction parameters and temperature dependence of the local magnetic moments. All Mossbauer and magnetization experimental results can be explained in a self consistent way with a simple molecular field model. The Fe in the (j) site plays the dominant role in its strong intrasublattice ferromagnetic exchange and its strong antiferromagnetic exchange with the rare earth site. The Fe in the (f) site have an antiferromagnetic intrasublattice exchange, they have a canted strcuture with the ferromagnetic component parallel to the (j) sublattice magnetization.     

Hyperfine interactions in intermetallic compounds between Gd and 3d transition metals

Measurements of hyperfine interactions at ¹⁵⁵Gd nuclei in metallic compounds between Gd and 3d transition metals and at ⁶¹Ni in GdNi compounds by Mössbauer spectroscopy are reported. The results are discussed in terms of various models proposed for the electronic structure of these compounds. The Gd isomer shifts with respect to metallic Gd are at variance with the model of a strong d electron transfer from rare earths to transition metal ions. From the observation of a linear relation between magnetic hyperfine fields at Gd and at Dy nuclei in corresponding compounds it is inferred that crystal-field induced variations of Dy moments are neglible and that the conduction electron polarization induced by 4f moments is directly related to that caused by 3d moments.     

Elastic properties, thermal expansion coefficients and electronic structures of Ti0.75X0.25C carbides

Elastic properties, thermal expansion coefficients and electronic structures of Ti_0.75X_0.25C carbides (X=W, Mo, Ta, Nb, V, Hf, Zr, Cr and Al) were systematically investigated using ab initio density functional theory (DFT) calculations. The calculated elastic moduli, electronic structures and thermal expansion coefficients α(T) of pure TiC are in good agreement with experimental data and other DFT calculations. Based on a phenomenological formula, the trends of elastic properties and ductile/brittle behavior of Ti_0.75X_0.25C were analyzed. It was found that alloying elements W, Mo, Ta, Nb, V and Hf can increase elastic moduli, while Zr, Cr and Al reduce moduli. The nearly free electron model and Debye approximation were applied in the evaluation of α(T). The anharmonic effect was taken into account by including volume-dependent elastic moduli and Debye temperature. Results show that alloying additions of 3d V, 4d Zr and Mo slightly reduce α(T), while 3d Cr increases α(T), Al, 4d Nb, 5d Hf and W almost keep α(T) unchanged in Ti_0.75X_0.25C at high temperatures. The electronic structures of Ti_0.75X_0.25C were calculated and analyzed, and the electronic density of states was used to interpret variations of elastic properties and ductile/brittle behavior induced by alloying additions.     

Magnetic properties of ternary gallides of type RNi4Ga (R=rare earths)

The magnetic properties of RNi₄Ga (R=La, Pr, Nd, Sm, Gd, Tb, Dy, Ho, Er, Tm and Lu) compounds have been investigated. These compounds form in a hexagonal CaCu₅ type structure with a space group P6/mmm. Compounds with the magnetic rare earths, R= Nd, Sm, Gd, Tb, Dy, Ho, Er and Tm, undergo a ferromagnetic transition at 5, 17, 20, 19, 12, 3.5, 8 and 6.5 K, respectively. The transition temperatures are smaller compared to their respective parent compounds RNi₅. PrNi₄Ga is paramagnetic down to 2 K. LaNi₄Ga and LuNi₄Ga are Pauli paramagnets. All the compounds show thermomagnetic irreversibility in the magnetically ordered state except GdNi₄Ga.     

Positron annihilation studies in high-Tc superconductors RBa2Cu3Oy,R: La,Nd, Sm,Eu, Gd,Dy, Ho,Y, Er

Positron lifetime and Doppler broadening of the annihilation line measurements have been performed at room temperature in high-T_c superconductors RBa₂Cu₃O_y, where R: La, Nd, Sm, Eu, Gd, Dy, Ho, Y, Er and 6.9 < y ≤ 7. Doppler broadening of the annihilation line measurements have also been performed in high-T_c superconducting samples R RBa₂Cu₃O_y, where R: Nd, Sm, Eu, Ho, Y, Er as a function of temperature between 14 K and 293 K. It was observed that the positron lifetime and the S parameter values at room temperature have no obvious trend in their variation from the yttrium substitution by a rare-earth element. It was also observed that the temperature dependence of the positron annihilation parameters is similar in the high-T_c superconducting samples.     

Pressure dependence of elastic constants of orthorhombic Li2Ge7O15 above and below the ferroelectric transition

The pressure derivatives of the elastic constants c_ij of orthorhombic Li₂Ge₇O₁₅ have been determined at 293 K by the method of pressure-induced shifts of resonance frequencies of thick plates at ca. 15 MHz in the range between 0 and 1500 bar. Approaching the transition at ca. 630 bar, all P_ij = dc_ij/dp (i, j = 1, 2, 3; p pressure) develop strongly negative values. At higher pressures a similar behaviour with reversed sign is observed. The pressure derivatives of the pure “shear resistances” c₄₄, c₅₅, and c₆₆ depend only slightly on pressure even in the vicinity of the transition. The main interactions driving the transition are of the totally symmetric type. The values dK^?1/dp (K volume compressibility) deviate strongly from the quasi-invariant value of ca. 5 observed in almost all stable crystals (dK^?1/dp = ? 1750 at 620 bar and 1380 at 700 bar). The anomalous piezoelastic behaviour reflects the anomalous thermoelastic behaviour: negative P_ij in the low pressure (high temperature) phase correspond to positive T_ij = d log c_ij/dT (T temperature) and vice versa.     

A characteristic class of quantities in nonequilibrium thermodynamics and a statistical justification of the local equilibrium approximation

A theory of bandwidth anisotropy in metallic ferromagnets developed previously is specialised to the case of 5d electrons in a hexagonal close-packed lattice. This theory is combined with a model for 5d electrons in the heavy rare earth metals to give a new theory for the low temperature values of the magnetic anisotropy coefficientsκ ₂ ⁰ andκ ₄ ⁰ in Tb, Dy, Ho, Er and Tm. In this theory the magnetic anisotropy is due to a combination of (i) crystal fields acting on 5d and 4f electrons and (ii) bandwidth anisotropy associated with a dependence of 5d bandwidths on magnetization direction. After use is made of empirical upper limits on the eighth order magnetic anisotropy in Gd, there remain four partially adjustable parameters of importance in the theory. These can be chosen to give a good fit to the six observed values forκ ₂ ⁰ andκ ₄ ⁰ in Tb, Dy and Ho. Crystal fields corresponding to negative point charges are seen by 5d electrons, but because of 4f – 5d interactions effective fields of larger magnitude and opposite sign act on 4f shells. Bandwidth anisotropy gives a significant contribution toκ ₄ ⁰ of opposite sign to that due to crystal fields, and dominates the latter in Tb and Er.     

Magnetism,spin relaxation and hyperfine interactions of rare earths in RM6Al6(M = Cr,Mn, Cu)

The systems RM₆Al₆ (R = rare earth or Y, M = Cr, Mn, Cu, Rh) were studied by magnetization measurements and by Mossbauer spectroscopy of ¹⁵⁵Gd, ¹⁶¹Dy, ¹⁶⁶Er and ¹⁷⁰Yb. The magnetization studies show weak R-R antiferromagnetic exchange interactions in RCu₆Al₆(T_n)Gd) = 21 K, less than 4 K for all other R and strong crystalline field effects. Similar phenomena are observed in RMn₆Al₆ and RCr₆Al₆, however, due to the presence of a Mn or Cr local moment the systems order ferrimagnetically. In RCr₆Al₆the order temperatures are low T_c ～ 25 K, yet T_c(GdCr₆Al₆) = 170 K. The Mossbauer studies observations are consistent with the magnetiza results. In the case where Er and Yb are not ordered at 4.1 K, the spectra still show magnetic hyperfine structure however of paramagnetic nature. The spectra yield the hyperfine interaction spin Hamiltonian parameters and the spin relaxation rates. These turn out to be extremely slow (1O⁸–1O⁹ sec^?1, a very uncommon phenomenon for a concentrated Er or Yb metallic system.     

155Gd and 161Dy Mössbauer study of R1+εFe4B4 alloys (R = Gd,Dy)

Tetragonal R_1+εFe₄B₄ alloys with R = Gd and Dy have been investigated by Mössbauer spectroscopy, using the ¹⁵⁵Gd and ¹⁶¹Dy resonances, respectively. The Gd quadrupolar interaction e²qQ = 12.65(5)mm/s is the largest observed to date in metallic compounds of Gd. For Dy this interaction is e²qQ = 74(2) mm/s, a value rather small for a Dy compound. Both results imply a strong lattice contribution to the electric field gradient. A crystal-field term A⁰₂ = -2450(50) K/a²_o is inferred. Our data are consistent with a point-charge calculation, provided charges of opposite signs are assumed for Fe and B atoms. Hyperfine parameters show some dispersion, reflecting the quasi incommensurate nature of the R and Fe+B sublattices in the R_1+εFe₄B₄ structure.