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Investigations of EPR g Factors and Rhombic Distortion for the Rhombic Cu2+ Centers in K2Zn1-x Cu (x) F-4 Crystals at Low Temperature

Applied Magnetic Resonance

The electron paramagnetic resonance g factors g (i) (i = x, y, z) of two rhombic Cu2+ centers, Cu2+(II) and Cu2+(III), in K2Zn1-x Cu (x) F-4 crystals found at low temperature are calculated from the complete diagonalization (of energy matrix) method based on the cluster approach. The calculations show that the ground state wave function of the two rhombically compressed Cu2+ centers is with a small admixture of . The rhombic distortions for both Cu2+ centers are obtained from the calculations. The results are discussed.

关键词: electron-paramagnetic-resonance;atomic screening constants;hyperfine;parameters;gyromagnetic factor;spin resonance;scf functions;field;copper(ii);dependence;spectra

Superconductivity modulated by internal pressure in Ce(1-x)Gd(x)FeAsO(0.84)F(0.16) compounds

Superconductor Science & Technology

It is shown that the superconductivity in Ce(1-x)Gd(x)FeAsO(0.84)F(0.16) compounds can be modulated by internal (chemical) pressure. The internal pressure is induced by Gd substitution for Ce in CeFeAsO(0.84)F(0.16), which compresses the crystal lattice. The temperature dependences of resistivity and magnetization show that the superconducting-transition temperature T(c) is enhanced from 40 K for CeFeAsO(0.84)F(0.16) to 47.5 K for Ce(0.6)Gd(0.4)FeAsO(0.84)F(0.16). The increase and subsequent decrease of Tc upon application of external pressure, as observed previously in LaFeAsO(0.89)F(0.11), is entirely confirmed by the modulation of Tc of the Ce(1-x)Gd(x)FeAsO(0.84)F(0.16) superconductors by internal pressure.

关键词: layered quaternary compound;43 k;iron

Structural evolution of Ce(1-x)Gd(x)FeAsO(0.84)F(0.16) superconductors

Journal of Applied Physics

Structural parameters have a critical impact on superconductivity in iron-based oxypnictide superconductors. Structural evolution study was performed on Ce(1-x)Gd(x)FeAsO(0.84)F(0.16) superconductors by the analysis of the x-ray diffraction patterns with Rietveld refinement. Substitution of Gd for Ce generates internal pressure that compresses the crystal lattice. The contraction of the c axis is also indicated by the reduction of Ce/Gd-As and Ce/Gd-O/F distances, while there is a slight increase in the As-Fe-As block size, which is compensated by a large reduction in the Ce/Gd-O/F-Ce/Gd block with Gd substitution. The diagonal Fe-As-Fe angle for Ce(0.6)Gd(0.4)FeAsO(0.84)F(0.16), with the highest T(c) among Ce(1-x)Gd(x)FeAsO(0.84)F(0.16) compounds, is 111.13 degrees. It is close to the ideal value of 109.47 degrees for the perfect FeAs tetrahedron, which is situated in the region of Fe-As-Fe bond angles where RFeAsO compounds tend to have the highest T(c). (C) 2011 American Institute of Physics. [doi:10.1063/1.3565408]

关键词: layered quaternary compound;high-temperature superconductivity

GdFeAsO_(1-x)F_x超导体的制备及其超导电性

崔雅静 , 陈永亮 , 杨烨 , 王雅真 , 张勇 , 赵勇

低温物理学报

通过先制备一种纳米尺寸的GdF_3作为GdFeAsO_(1-x)F_x样品中F的反应原料,在相对较低的温度(1120℃)下成功制备出一系列GdFeAsO_(1-x)F_x(x=0,0.05,0.1,0.15,0.2,0.25)多晶样品.X射线衍射结果表明,超导样品属四方ZrCuSiAs-type结构,晶格参数随着掺F量的增加而减小.扫描电子显微镜测试结果表明,样品具有片层状晶体形貌特征.当掺Fx=0.1时,样品表现出超导电性,超导转变温度为22K,随着掺F量的增多,超导转变温度升高.和其他制备方法相比,这种制备方法更有利于F的掺入,而且可有效减少样品中杂质相的含量.

关键词: 铁基超导体 , ZrCuSiAs结构

Theoretical studies of g factors and defect structures for cubic, tetragonal, and orthorhombic Fe+ Centers in alkali halides MX (M = Li, Na; X = F, Cl)

Communications in Theoretical Physics

The EPR g factors for cubic, tetragonal and orthorhombic Fe+ centers in alkali halides MX (M = Li, Na; X = F, Cl) are calculated from second-order perturbation formulas of g factors based on cluster approach for 3d(7) ions in three symmetries. From calculations, the g factors of these Fe+ centers in MX crystals are reasonably explained and the defect structural data for the tetragonal and orthorhombic Fe+ centers are estimated. The results are discussed.

关键词: crystal;and ligand-field theory;electron paramagnetic resonance;defect structure;atomic screening constants;spin-orbit interaction;superposition model;resonance-spectra;epr parameters;crystal-field;scf functions;ions;co2+

Calculation of EPR parameters g factors for Ce3+ ion in YBa2Cu3O6+x superconductor

International Journal of Modern Physics B

The perturbation formulae of EPR parameters g factors g(x), g(y) and g(z) for the lowest Kramers doublet of 4f(1) ion in orthorhombic symmetry are established. In these formulae, the contributions of the covalency effects, the admixture between J = 7/2 and J = 5/2 states as well as the second-order perturbation (which is not considered in the previous works) via crystal-field and orbital angular momentum interactions are all included. According to these formulae, and by using the superposition model, the g-factors g., g(y) and g(z) for Ce3+ center in YBa2CU3O6+x superconductor are calculated. The results are discussed.

关键词: YBa2Cu3O6+x;EPR;superposition model;Ce3+;crystal-field

Investigations on the Zero-Field Splittings and the g Factor of Gd(x)Eu(1-x)Ba(2)Cu(3)O(7-delta)

Journal of Superconductivity and Novel Magnetism

The zero-field splittings (D and E) and the g factor of Gd(x)Eu(1-x)Ba(2)Cu(3)O(7-delta) are theoretically investigated from the superposition model formulas or the zero-field splittings and the approximation formula of the g factor containing the admixtures of the ground (8)S(7/2) and the excited (6)L(7/2) (L = P, D, F, G) states, respectively. Based on the studies, the impurity-ligand bond angles related to the crystalline c axis in the impurity Gd(3+) center are about 1.1 degrees smaller than those in the host Eu(3+) site of EuBa(2)Cu(3)O(7-delta). The calculated D, E, g factor and the effective magnetic moment mu(eff) show reasonable agreement with the experimental data. Particularly, the improvement for the theoretical D is achieved in the present work by considering the above angular distortion.

关键词: Crystal fields and spin Hamiltonians;EPR;Superposition model;Gd(x)Eu(1-x)Ba(2)Cu(3)O(7-delta);spin-hamiltonian parameters;gd3;superconductor;euba2cu3oy

Preparation and Superconducting Properties of F-doped SmO1-xFxFeAs

Zhiyong Liu

材料科学技术(英文)

Here we report the fabrication and superconductivity of the iron-based arsenic oxide SmO1-xFxFeAs compound. X-ray diffraction (XRD) results prove that the lattice parameters a and c decrease systematically with increasing x in between 0<x≤0.35, but when x>0.35 the a and c increase with the decrease of x in
the SmO1-xFxFeAs. The critical temperature (Tc) increases with increasing x in between 0.15≤x≤0.3, while x>0.3 the Tc decreases with the increase of x. It is found that at x=0.3 SmO0.7F0.3FeAs has the highest onset resistivity transition temperature of 55.5 K. The critical current density (Jc) value at 10 K for the obtained SmO0.7F0.3FeAs is 1.3×105 A/cm2 (0 T). Meanwhile one can estimates Hc2(0) from the slope of the Hc2(T) curve at T=Tc (HC2 is the upper critical field), and for the 90% normal-state resistivity (ρn) criterion (Tc=55 K), Hc2(0) is determined to be ~253 T.

关键词: SmO1-xFxFeAs compound

Investigations on the EPR g factors for the six-coordianted Cu2+(1) site in YBa2Cu3O6+x

International Journal of Modern Physics B

The EPR g factors g(//) and g(perpendicular to) for the six-coordinated Cu2+(1) site in YBa2Cu3O6+x are theoretically investigated from the perturbation formulas for a 3d(9) ion in tetragonally elongated octahedra. The related tetragonal crystal-field parameters Ds and Dt are determined from the superposition model and the structural data for the Cu2+(1) site, by considering the effective elongation of the oxygen octahedron due to the Jahn-Teller effect of the Cu2+ cluster. Based on the calculations, the effective elongation (= 15%) of the ligand octahedron is obtained for the signals at 100K. As for the EPR signals at room temperature, the elongation declines to merely 4%, corresponding to the smaller anisotropy Delta g (=g(//) - g(perpendicular to)). The theoretical results for the g factors are in good agreement with the observed values, and the local tetragonal distortion due to the Jahn-Teller effect is discussed.

关键词: crystal fields and spin hamiltonians;electron paramagnetic resonance;Cu2+;YBa2Cu3O6+x;single-crystals;yba2cu3o7-delta;evolution;esr

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