Synthesis and Magnetic Properties of a Novel Birnessite Oxide Cs0.24MnO2

The synthesis of a novel birnessite structure manganese oxide, Cs0.24MnO2, via a modified sol-gel route is reported in this work. The product was characterized by X-ray diffraction （XRD）, transmission electron microscopy （TEM）, thermogravimetric analysis （TGA）, and magnetic susceptibility. It is found that Cs0.24MnO2 crystallizes in a monoclinic phase with a nanosheet morphology. With lowering the temperature, Cs0.24MnO2 shows an antiferromagnetic transition at about 43.8 K, which is different from its paramagnetic K-counterpart. The effective moment of Mn ions in Cs0.24MnO2 is determined to be 4.2 μB, indicating a mixed valence of Mng＋/Mn3＋.     

Structure determination and magnetic studies of triazole chelated Co(II) coordination polymers

Two cobalt(II) halide complexes with 1,2,4-triazole as a ligand were synthesized. Their structures were determined by extended x-ray absorption fine structure (EXAFS) and powder x-ray diffraction (XRD). Both complexes [Co(Htrz)Cl₂]_n ( 1 ) and {[Co(Htrz)₂(trz)]BF₄}_n ( 2 ) form one-dimensional polymeric chain and the distances of Co⋯Co are 3.3521(2) Å and 3.8629(2) Å, respectively. The Htrz and Cl⁻ are bridging ligands to connect two Co(II) ions in 1 , and the local environment of Co site is in a distorted octahedron with {CoN₂Cl₄} core. In complex 2 , two Htrz and one trz are bridging ligands to connect two Co(II) ions, and the local geometry of Co is in a pseudo octahedron with {CoN₆} core. The analysis of Co L_II,III-edge XAS indicates that the Co(II) of both complexes are at high spin state with t_2g⁵e_g² configuration and the crystal field strength (10Dq) is about 1.2 eV. The broken-symmetry DFT calculations indicate that antiferromagnetic coupling state of Co⋯Co is the most stable state in both complexes; and the coupling constants of 1 and 2 are −0.32 cm⁻¹ and −3.70 cm⁻¹, respectively. Based on the distances of Co⋯Co and coupling constants, such antiferromagnetic interaction is achieved through triazole ligands.     

On the cross-over from half-metal to normal ferromagnet in NiMnSb

Magnetism and transport properties of the semi-Heusler compound NiMnSb are re-examined in great details. A wide set of experiments (elastic and inelastic neutron scattering, static magnetic measurements, magnetoresistance, Hall effect, thermopower, FMR) have been performed on polycrystals, single crystals or single-crystalline thin films, and the results are analysed. Special emphasis is given to the magnetic excitations and to the relaxation mechanisms in this metallic ferromagnet. At low temperatures, all experimental results hint at the existence of a fully spin-polarized conduction band (half metallic state). At higher temperature (T > 80 K), but well below the Curie temperature (730 K), a cross-over to a usual metallic ferromagnetic state is evidenced and discussed. Received 10 January 2000     

Influence of Fe3+ on perovskite oxides: La2/3Ca1/3Mn1-x Fe x O3

The structure and magnetoresistance properties in sintered samples of La_2/3Ca_1/3Mn_1-x Fe _x O₃(0≤x≤0.84) are studied by using Mössbauer spectroscopy, XRD and magnetic measurement. There are antiferromagnetic interactions between Fe and its nearest neighbors (Fe, Mn) when 0 <x ≤0.67, which are important factors influencing the double-exchange between Mn³⁺ and Mn⁴⁺, Curie temperature, magnetic moment and GMR. It is suggested that the Mn³⁺ (Fe³⁺) /Mn⁴⁺ system also consists of magnetic clusters with different sizes.     

Analytical Study of the Antiferromagnetic Heisenberg Films

With the variational cumulant expansion (VCE) method, the thermodynamic behaviors of S = 1/2 antiferromagnetic Heisenberg films in simple cubic lattices are studied analytically. From the analytic properties of the free energy, in principle we are able to calculate analytically the critical temperatures T_c(L) and the thermodynamic functions, to any order cumulant as the functions of the number of L (the hyperlayers in the hyperfilm). Explicit expressions for T_c(L) up to the fourth order are given. A comparison with the existing results for 3-dimensional system is given. The effective range of the interactiori is obtained from numerical results.     

自旋s=1双层铁磁-反铁磁的零温磁矩

采用线性自旋波理论,利用数值计算的方法计算自旋s=1的零温磁矩 。     

反铁磁链中Dzyaloshinskii–Moriya机制驱动矢量自旋手征束缚态的研究

Dzyaloshinskii-Moriya(DM)相互作用驱动的矢量自旋手征态,能和声子发生耦合,具备非常丰富的物理现象.本论文以一维反铁磁链中自旋手征-声子耦合模型为基础,研究不同声子环境下,耦合强度对自旋手征动力学演化过程的影响规律.结果表明,对自旋S=1/2的系统,在不同的声子浴(sub-Ohmic(0 1))中,均会在非相干到相干自旋涨落过程中产生无能隙一级相变,其来源是自旋手征束缚态的形成.相变发生的临界自旋-声子耦合强度正比于自旋涨落大小,反比于系统德拜频率.当自旋-声子耦合强度超过其临界值时,自旋手征束缚态的产生将极大地抑制非相干自旋涨落.     

多铁材料BaCoF$lt;sub$gt;4$lt;/sub$gt;电子结构的第一性原理研究

采用基于密度泛函理论的广义梯度近似方法和赝势平面波法,对多铁材料BaCoF₄的铁电反铁磁相和可能的顺电相的电子结构进行了第一性原理研究.研究表明,反铁磁态很可能有利于低温下的铁电稳定性,F的强负电性使得体系内原子间主要是离子键相互作用.Co离子与在bc面上的F（2）,F（3）离子间完全是离子键作用,而与F（4）间有较弱的共价作用,与F（1）间作用介于两者之间.铁电畸变主要来源于Ba离子与F（1）, F（2）, F（3）离子沿着c轴方向的相对位移,F（4）对铁电性的贡献最少.铁电相中F（2）, F（3）离子的能量低于中心对称相,最大位移贡献者F（1）的化学键性由弱共价作用到离子键的变化也是最大的,这均有利于体系的稳定. 关键词： 第一性原理 铁电性 铁电畸变 反铁磁性     

Dispersion of quasi-particles in high Tc cuprates

The interplay between superconductivity (SC) and antiferromagnetism (AFM) is studied in strongly correlated systems of high T _c Cuprate superconductors. It is assumed that superconductivity arises due to BCS pairing mechanism in presence of AFM in Cu lattices of Cu-O planes. The total Hamiltonian of the system is mean field one and has been solved exactly by writing the equations of motion for the single particle Green’s functions. Equations for the appropriate single particle co-relation functions are derived and the order parameters corresponding to SC and AFM are determined. It is assumed that the Fermi energy ∈ _F = 0 and the renormalized localized f energy level coincide with the Fermi level. All the quantities in the final equation for h and Δ are made dimensionless by dividing by 2t, where t is the hopping integral. The temperature dependent values of staggered magnetic field (h) and SC gap (Δ) were determined by solving self-consistent equations for h and Δ. The quasiparticle energy bands are function of AFM gap (h), SC gap (Δ) and hybridization (V). Then the dispersion of quasi-particles are studied at different temperatures by considering temperature dependent values of h and Δ and varying other different model parameters.      

极化中子衍射及在电子自旋密度研究中的应用

极化中子衍射方法常用于研究含未配对电子化合物中电子自旋密度的分布．分子中电子自旋密度分布从一个独特的角度反映化合物的磁性质．本文介绍极化中子衍射方法的背景知识和基本原理．包括中子源、中子和X射线衍射、极化中子衍射,以及一些常用的实验数据处理方法．选用几个实例总结了用极化中子衍射方法得到的电子自旋密度分布在无机和有机化学中的应用．通过单分子磁体[Fe8O2（OH）12（tacn）6]^8＋和氰基桥联化合物K2[Mn（H2O）2]3[Mo（CN）7]2·6H2O,说明如何用该方法研究金属原子间的磁相互作用;并通过Ru（acac）3这个只含一个未配对电子的化合物来说明如何获得化合物中金属和配体上小的自旋密度;最后介绍了该方法在nitronylnitroxide自由基研究中的应用．