Triangular spin configuration and weak ferromagnetism of Mn3Sn and Mn3Ge

Polarized-neutron diffraction by Mn₃Sn and Mn₃Ge in magnetic field reveals that the spin triangle coincides with the c-plane, is the inversion of the atomic triangle, and rotates opposite to the rotation of the c-plane component of magnetic field. Theory predicts that the inverted spin triangle is free to rotate and the associated weak ferromagnetic moment rotates oppositely.     

Electrical properties of the intermetallic compound Mn3Sn

Temperature variations of resistivities are measured on the single crystals of Mn₃Sn with a hexagonal crystal structure. Anomalies of resistivity along the c-axis are observed at 230 and 420 K which correspond to the transition temperature from a tringle-helix to triangular spin structure state and the Néel temperature, respectively.     

Spin polarization effect for Mn2 molecule

The density functional theory method （DFT） （b3p86） of Gaussian 03 has been used to optimize the structure of the Mn2 molecule. The result shows that the ground state of the Mn2 molecule is an 11-multiple state, indicating a spin polarization effect in the Mn2 molecule, a transition metal element molecule. Meanwhile, we have not found any spin pollution because the wavefunction of the ground state does not mingle with wavefunctions of higher-energy states. So the ground state for Mn2 molecule being of an 11-multiple state is the indicative of spin polarization effect of the Mn2 molecule among those in the transition metal elements： that is, there are 10 parallel spin electrons in a Mn2 molecule. The number of non-conjugated electrons is the greatest. These electrons occupy different spacious orbitals so that the energy of the Mn2 molecule is minimized. It can be concluded that the effect of parallel spin in the Mn2 molecule is larger than the effect of the conjugated molecule, which is obviously related to the effect of electron d delocalization. In addition, the Murrell-Sorbie potential functions with the parameters for the ground state and other states of the Mn2 molecule are derived. The dissociation energy De for the ground state of the Mn2 molecule is 1.4477 eV, equilibrium bond length Re is 0.2506 nm, vibration frequency ωe is 211.51 cm^-1. Its force constants f2, f3, and f4 are 0.7240 aJ·nm-2, -3.35574 aJ·nm^-3, 11.4813 aJ·nm^-4 respectively. The other spectroscopic data for the ground state of the Mn2 molecule ωeχe, Be, αe are 1.5301 cm^-1, 0.0978 cm^-1, 7.7825×10^-4 cm^-1 respectively.     

Field-induced transitions in intermetallic compounds Mn3GaC and Mn3ZnC

Field-induced transitions in Mn₃GaC and Mn₃ZnC were studied inmagnetic fields up to 320 kOe. Antiferromagnetic (AF)-ferromagnetic (F) field-induced transitions in Mn₃GaC are of the 1st order and (AF+F)−(F) ones in Mn₃ZnC are of the 2nd order. Temperature variations of transition fields were determined.     

Half-metallicity and magnetic properties of half-Heusler type Mn2Sn: Ab initio predictions

Ab initio calculations have been carried out to investigate the electronic structure and magnetism of the compound Mn₂Sn with the bcc half-Heusler structure. For the equilibrium lattice parameter 5.69 Å, Mn₂Sn is predicted to be a half-metallic fully compensated ferrimagnet (also called half-metallic antiferromagnet) with zero total spin moment. This zero moment agrees well with the Slater-Pauling curve and mainly comes from the compensated Mn (A) and Mn (B) spin moments in antiparallel configuration. The half-metallicity of Mn₂Sn is stable in a wide lattice-parameter range from 5.6 Å to 5.9 Å. Upon contraction of the lattice, a transition from half-metallicity to semimetallicity is observed.     

Magnetic structure of the Mn5Si3-type Er5Ge3 compound

The Er₅Ge₃ compound (Mn₅Si₃-type, hP16, P6₃/mcm) at 4 K shows magnetic ordering of the antiferromagnetic type. Its magnetic structure consists of sine modulated collinear magnetic moments of Er that are parallel to the c axis (with a propagation vector k=[0 0 ±0.3]). This corresponds to the magnetic unit cell (a a 10c), the values of the magnetic moment of the Er atoms being, as a general formula, M_z≈M₀ cos [2π(Z–1/4)(1–kZ)], with M₀=9.2(2) μ_B at 4 K.     

Magnetic characterization of Mn5SiB2 and Mn5Si3 phases

In this work the Mn₅Si₃ and Mn₅SiB₂ phases were produced via arc melting and heat treatment at 1000 °C for 50 h under argon. A detailed microstructure characterization indicated the formation of single-phase Mn₅Si₃ and near single-phase Mn₅SiB₂ microstructures. The magnetic behavior of the Mn₅Si₃ phase was investigated and the results are in agreement with previous data from the literature, which indicates the existence of two anti-ferromagnetic structures for temperatures below 98 K. The Mn₅SiB₂ phase shows a ferromagnetic behavior presenting a saturation magnetization M_s of about 5.35×10⁵ A/m (0.67 T) at room temperature and an estimated Curie temperature between 470 and 490 K. In addition, AC susceptibility data indicates no evidence of any other magnetic ordering in 4-300 K temperature range. The magnetization values are smaller than that calculated using the magnetic moment from previous literature NMR results. This result suggests a probable ferrimagnetic arrangement of the Mn moments.     

Nb3Sn超导电磁铁

本文报导了关于筒形Nb₃Sn磁体的研究结果。观察到磁通跳跃现象。“冻结”场的分布和历史及激发场的分布紧密相关。“冻结”场可以不是中心对称的,这进一步证明了烧结的Nb₃Sn材料是非均匀介质。我们描述了新的磁体结构,避免了磁通跳跃。除利用铁心来捕获磁通外,在激发和测量磁场的方法上均具有一定的特点。利用圆筒状Nb₃Sn作为压挤磁通的活塞,在1.5°K时,曾获得的最高场强是28.5KG。     

Shear mode spectrum in Nb3Sn

Recent measurements of the shear mode spectrum in Nb₃ Sn are interpreted in terms of the generalized Labbé- Friedel model. These measurements are shown to be consistent with the development of the pronounced Kohn anomaly at low temperatures.     

Electrical transport properties of Ag3Sn compound

The temperature behaviors of the electrical resistivity in polycrystalline Ag₃Sn bulk samples were investigated experimentally. We found that the temperature dependence of resistivity shows concave function characteristics from 305 down to 26 K, and can be described by a parallel resistor model [H. Wiesmann et al., Phys. Rev. Lett. 38 (1977) 782]. The resistivities of all samples reveal T² behavior from 26 down to . We compared our data to the existing theories in which the T² dependence of resistivity has been proposed. However, we found none of them can describe the experimental data, and the physical mechanism of the T² behavior of resistivity at low temperatures is still enigmatical.     

The electrical conductivity of Mn3O4

The electrical properties of Mn₃O₄ in equilibrium with the ambient oxygen atmosphere were found to be different from those reported previously on quenched specimens. The differences appear to arise from the presence of a second phase in the quenched specimens. The present results suggest a band-to-band excitation rather than hopping conduction.     

Nb3Sn扩散薄膜的研究

本文叙述对Nb₃Sn扩散薄膜的一项包括高场临界电流机制,合金元素作用机制等内容在内的综合性实验研究。 关键词：     

Determination par diffraction des neutrons de la structure antiferromagnetique du grenat Mn3Al2Ge3O12

The magnetic structure of the antiferromagnet Mn₃Al₂Ge₃O₁₂ with Mn²⁺ on dodecahedral site is determined by neutron diffraction. At the difference of the magnetic structures of isomorphous rare earth garnets, the observed structure is rhombohedral. The importance of super-superexchange interactions of the type MnOOMn or MnOGeO is pointed out.     

Mn3Ga的晶体结构

本文用X射线粉末法,测定了Mn₃Ga的晶体结构。Mn₃Ga属六角晶系。26.8at.%Ga的合金在20℃的点阵常数是:a=5.4065?,c=4.3537?,c/a=0.8053。空间群为D_6h⁴-P6₃/mmc。每个单胞含两个化合式量,其中6个Mn原子占据6(h)的位置,原子参数x_h=0.837,2个Ga原子占据2(c)的位置。这是一个畸变型的DO₁₉有序密堆积超结构。Mn-Ga采内相当于这个结构的均匀范围并不包括理想成分在内,而偏移在富Ga的一边。     

Magnetic and electronic structure calculations of antiferromagnetic Mn2As

Magnetic and electronic structure calculations are performed for Mn₂As with antiferromagnetic (AFM), ferromagnetic (FM), and ferrimagnetic (FIM) spin ordering, using the full-potential linearized augmented plane-wave (FLAPW) method based on the generalized gradient approximation (GGA). It is shown that AFM is the magnetic ground state of Mn₂As, which is in agreement with the experimental observations. At a low temperature (0 K), AFM-FIM transition is also predicted which is consistent with the previous predictions. The ground state stability of the magnetic structure of Mn₂As is attributed to the nearest Mn (I) and Mn (II) antiferromagnetic interaction. The calculated magnetic moment of Mn (II) is found to be in good agreement with the neutron diffraction experiment while there is a disagreement for the magnetic moment of Mn (I). The different magnetic moments are reflected in the electronic structures of Mn₂As and the exchange splitting between Mn atoms is shown to be an intra-atomic effect.     

Lattice dynamics of Nb3Sn at 300 K

The phonon dispersion curves have been calculated from a microscopic model for Nb₃Sn at 300 K and are in good agreement with the available inelastic neutron scattering data. The calculated phonon density of states exhibits the essential features of the experimental results obtained by incoherent inelastic neutron scattering.     

Local weak ferromagnetism in single-crystalline ferroelectric BiFeO3

Polarized small-angle neutron scattering studies of single-crystalline multiferroic BiFeO(3) reveal a long-wavelength spin density wave generated by ～1° spin canting of the spins out of the rotation plane of the antiferromagnetic cycloidal order. This signifies weak ferromagnetism within mesoscopic regions of dimension 0.03 microns along [110], to several microns along [111], confirming a long-standing theoretical prediction. The average local magnetization is 0.06 μ(B)/Fe. Our results provide an indication of the intrinsic macroscopic magnetization to be expected in ferroelectric BiFeO(3) thin films under strain, where the magnetic cycloid is suppressed.     

亚铁磁Heusler合金Mn2CoGa和Mn2CoAl掺杂Cr,Fe和Co的局域铁磁结构

通过实验和计算的方法研究了Mn₂CoM_xGa_1-x 和Mn₂CoM_xAl_1-x (M=Cr, Fe, Co)掺杂系列合金样品. 研究发现, 在共价作用的影响下, Fe和Co原子占A位, 使被取代的MnA (-2.1 μ_B)变成MnD (3.2 μ_B), 在最近邻的强交换作用下亚铁磁基体中形成了MnB-CoC-MnD局域铁磁性结构, 使分子磁矩的增量最高可达6.18 μ_B. Fe, Co 掺杂后建立同样的局域铁磁结构, 居里温度的变化趋势却不同. 实验观察到Mn₂Co_1+xAl_1-x中掺杂容忍度高达x=0.64, 远高于在Mn₂CoGa中(x=0.36)的结果; 以及随着Al的减少, 合金由B2有序向A2混乱转变等现象, 为共价作用对合金结构稳定的影响提供了证据. 磁测量中发现Cr掺杂后磁矩增量高达3.65 μ_B以及居里温度快速上升的反常现象, 意味着对占位规则的违背.     

Electronic structure and magnetism in full-Heusler compound Mn2ZnGe

The first-principle calculations within density functional theory are used to investigate the electronic structure and magnetism of the Mn₂ZnGe Heusler alloy with CuHg₂Ti-type structure. The half-metallic ferrimagnets (HMFs) in Mn₂ZnGe are predicted. The energy gap lies in the minority-spin band for the Mn₂ZnGe alloy. The calculated total spin magnetic moment is −2μ_B per unit cell for Mn₂ZnGe alloy, the magnetic moments of Zn and Mn(B) are antiparallel to that of Mn(A), and we also found that the half-metallic properties of Mn₂ZnGe are insensitive to the dependence of lattice within the wide range of 5.69 and 5.80 Å where exhibiting perfect 100% spin polarization at the Fermi energy.