Magnetic structure of the canted 1D-antiferromagnet NaBaFe2F9

NaBaFe₂F₉ crystallizes with the Ba₂CoFeF₉ structural type (space group P2₁/n, Z = 4). In this structure, infinite cis double [M₂F₉]^3? chains of corner sharing octahedra are isolated one from each other by sodium and barium ions. At 4.5 K, the cell parameters (Å) are found to be: a = 7.3236(3), b = 17.4525(7), c = 5.4586(2), β = 91.840(3)°. Antiferromagnetic interactions dominate but, below T_N ? 19 K, a parasitic ferromagnetic component appears with σ_r(4.5K) = 0.03(1) μ_B·mole^?.The magnetic structure (C_xF_yC_z mode) was foreseen by the macroscopic theory of Bertaut and established from neutron powder diffraction. Using the Rietveld profile refinement method, the 4.5 K spectrum was analysed at $\text{λ =}\text{1.909}\text{A}\text{?}\text{(R}{}_{\mathrm{<mtext>Profile</mtext>}}\text{=}\text{0.093}\text{, R}{}_{\mathrm{<mtext>Nucl</mtext>}}\text{=}\text{0.053}\text{, R}{}_{\mathrm{<mtext>Mag</mtext>}}\text{=}\text{0.126}\text{)}$ and the 4.5–35K difference spectrum at $\text{λ =}\text{2.518}\text{A}\text{?}\text{(R}{}_{\mathrm{<mtext>Mag</mtext>}}\text{=}\text{0.049}\text{, R}{}_{\mathrm{<mtext>Profile</mtext>}}\text{=}\text{0.092}\text{)}$. The magnetic moments on two Fe³⁺ sites, lie mainly in the (0 1 0) plane, approximately at 45° from the a- and c-axes. They form a pseudo G-type antiferromagnetic arrangement (μ(Fe1) = 3.60(4) μ_B;μ(Fe2) = 3.61(6)μ_B).     

The antiferromagnetic structure of ErCo2Si2 by neutron diffraction

The magnetic structure of the tetragonal ErCo₂Si₂ compound is determined by neutron diffraction on powder sample at 4.2 K. The magnetic ordering is connected with a symmetry lowering, magnetic space group P_2s$\text{1}$ (Sh⁷₂)k = 000. The structure is collinear antiferromagnetic with the erbium magnetic moments making an angle of 56.2° with the c axis. The magnetic moment value for erbium is 6.75μ_B.     

Neutron diffraction study of DyCu2Ge2

The DyCu₂Ge₂ compound was studied by neutron diffraction on the Grenoble Nuclear Research Center multicounter system. The compound is isostructural to the rare earth RCu₂Ge₂ compounds with space group I4/mmm. 19 superlattice lines were observed in the 3 K pattern which are consistent with a doubling of the unit cell in the a and c directions. The moment value is 8 μ_B making an angle of 30° with a and 70° with c axis. The structure consists of ferromagnetic (1 0 1) layers with antiferromagnetic coupling between them. The Néel and Curie paramagnetic temperature of this compound is 8 K and ? 15 K respectively.     

Neutron diffraction determination of the magnetic structures of NpCo2Si2 and NpCu2Si2

A small polycrystalline ingot sample of NpCo₂Si₂ (weight ≈ 1.5 g) has been studied by neutron diffration between 2 and 160 K on the multi-detector D1B of ILL, Grenoble. At 100 K, the crystal structure is body-centered tetragonal (space group 14/mmm) with a = 3.886 Å and c =9.649 Å. Below T_N = (44 ± 2) K, seven superlattice lines are observed which correspond to a simple tetragonal lattice with lattice constants as above. They are consistent with a type I antiferromagnetic structure of the Np (2a) sublattice, with (001) ferromagnetic sheets coupled antiferromagnetically according to the sequence +-+-. At 6 K, the neptunium moment obtained from the diffracted intensities is: (1.48 ± 0.20)_μuB, and makes an angle 52° ± 15° with the c axis. The cobalt moment is certainly smallet than 0.3_μuB. The Np moment correlates well with the ²³⁷Np hyperfine field deduced from Mos?sbauer spectroscopy; the sublattice magnetization-temoperature curve follows very well the $\text{J=}\text{1}\text{2}$ brillouin curve. The magnetism is therefore probably of lovalized character in this compound. An isomorphous sample of NpCu₂Si₂ (a = 3.990 Å c = 9.920 Å) was shown to be ferromagnetic below (41 ± 2) K, with the Np moment [1.5 ± 0.2)_μuB] aligned along the c axis.     

Magnetic phase transition in TbMn2Ge2

The crystal and magnetic stucture of TbMn₂Ge₂ are determined by neutron diffraction using a powder sample. The crystal structure of this compound is of the ThCr₂Si₂ type with small mixing of Mn and Ge atoms between 4(d) and 4(e) positions. At RT the antiferromagnetic collinear structure consist of a+?+? sequence of ferromagnetic layers of Mn atoms with the magnetic moment parallel to the c-axis. At 85 K, the ferromagnetic ordering within the Tb sublattice is observed. The magnetic moment (～7.7 μ_B) is parallel to the c-axis. At 4.2 K additional reflections are observed, which correspond to antiferromagnetic components in a monoclinic unit cell.     

NdNi2Ge2化合物的结构和电磁输运性质

利用非自耗真空电弧熔炼法制备了NdNi₂Ge₂化合物样品,采用X射线粉末衍射技术和Rietveld全谱拟合分析方法测定了其晶体结构. 结果显示该化合物的空间群为I4/mmm,点阵参数为:a=4.120(1),c=9.835(0),Z=2,Nd原子占据2a晶位,Ni原子占据4d晶位,Ge原子占据4e晶位. NdNi₂Ge₂化合物呈现顺磁性,应用居里-外斯定律拟合计算得到居里-外斯常数为25.8,居里-外斯温度为6.24 K. 有效势磁矩为3.69μ_B,这与理论计算Nd³⁺的磁矩相符,表明磁矩主要源于Nd³⁺. 电阻率变化范围为0.3 Ω ·μm^-1-1 Ω ·μm,电阻曲线拟合显示NdNi₂Ge₂呈半金属性. 关键词： 2Ge₂')" href="#">NdNi₂Ge₂ Rietveld结构精修 电磁输运     

Valence fluctuation in Ce2Co3Ge5 and crystal field effect in Pr2Co3Ge5

Polycrystalline samples of ternary rare-earth germanides R₂Co₃Ge₅ (R=La, Ce and Pr) have been prepared and investigated by means of magnetic susceptibility, isothermal magnetization, electrical resistivity and specific heat measurements. All these compounds crystallize in orthorhombic U₂Co₃Si₅ structure (space group Ibam). No evidence of magnetic or superconducting transition is observed in any of these compounds down to 2 K. The unit cell volume of Ce₂Co₃Ge₅ deviates from the expected lanthanide contraction, indicating non trivalent state of Ce ions in this compound. The reduced value of effective moment (μ_eff≈0.95 μ_B) compared to that expected for trivalent Ce ions further supports valence-fluctuating nature of Ce in Ce₂Co₃Ge₅. The observed temperature dependence of magnetic susceptibility is consistent with the ionic interconfiguration fluctuation (ICF) model. Although no sharp anomaly due to a phase transition is seen, a broad Schottky-type anomaly is observed in the magnetic part of specific heat of Pr₂Co₃Ge₅. An analysis of C_mag data suggests a singlet ground state in Pr₂Co₃Ge₅ separated from the singlet first excited state by 22 K and a doublet second excited state at 73 K.     

A magnetic study of the ThCr2Si2-type RPd2Ge2 (R=Pr, Nd) compounds. Magnetic structure of PrPd2Ge2 from powder neutron diffraction

The magnetic properties of the PrPd₂Ge₂ and NdPd₂Ge₂ compounds have been investigated by magnetic measurements, specific heat measurements and neutron diffraction experiments. The PrPd₂Ge₂ compound orders antiferromagnetically below T_N=5.0(2) with an original modulated magnetic structure characterized by a magnetic cell three times larger than the chemical one by tripling of the c parameter. The palladium atom is non magnetic and the Pr moments are parallel to the c-axis with a value of ≈2.0 μ_B at 2 K. The specific heat measurements clearly detect a low temperature transition for the NdPd₂Ge₂ compound, interpreted as a Nd sublattice antiferromagnetic ordering below 1.3(2) K.     

Neutron diffraction studies of the magnetic ordering in the rare earth compounds TbNi2Si2, HoCo2Si2 and TbCo2Si2

Neutron diffraction studies and magnetic measurements on the compounds TbNi₂Si₂ (1), HoCo₂Si₂ (2) and TbCo₂Si₂ (3) revealed a collinear antiferromagnetic order below T_N = 10 ± 1 K (1), T_N = 13 ± 1 K (2) and T_N = 30 ± 2 K (3) with the rare earths moments oriented along the c-axis [m₀ = 8.8 ± 0.2 μ_B (1), m₀ = 8.1 ± 0.2 μ_B (2), m₀ = 8.8 ± 0.2 μ_B (3)] and the corresponding wavevector are $\text{k}\text{= [}\text{1}\text{2}\text{1}\text{2}\text{0] (1)}\text{and}\text{k}\text{= [ 0 0 1] (2) (3)}$. The magnetic structure of the compounds HoCo₂Si₂ and TbCo₂Si₂ consists of ferromagnetic layers perpendicular to the c-axis coupled antiferromagnetically (+?+?) while for TbNi₂Si₂ the ordering within (0 0 1) plane is antiferromagnetic and the planes (0 0 1) are indeed decoupled.     

Neutron diffraction study of the layered compounds MnPSe3 and FePSe3

In the insulating compounds MnPSe₃ (1) and FePSe₃ (2) the divalent transition metal ions form planar honeycomb lattices. A neutron diffraction study revealed a collinear antiferromagnetic order below T_N = 74 ± 2 K (1) and T_N = 119 ± 1 K (2) with the corresponding wavevectors k = [000] (1) and $\text{k = [}\text{1}\text{2}\text{0}\text{1}\text{2}\text{]}$ (2). In MnPSe₃ the magnetic moments (m₀ = 4.74 μ_B) lie within the basal plane and in FePSe₃ (m₀ = 4.9 μ_B) they are pointing along the c-axis. The collinear structures are determined by the dominating intralayer interactions between first (J₁), second (J₂) and third neighbours (J₃) which in MnPSe₃ are all antiferromagnetic whereas in FePSe₃J₁ is ferromagnetic and J₂ and J₃ are antiferromagnetic.     

Magnetic structure of the Sm5Ge4-type Tb2Ti3Ge4

The orthorhombic Sm₅Ge₄-type Tb₂Ti₃Ge₄ shows square modulated non-collinear magnetic ordering with wave vector K=[±1/3, 1/2, 1/2] at 2 K. The terbium magnetic moments lie in the bc plane and magnetic moment value of 7.5(2) μ_B/Tb is obtained at 2 K.     

Magnetic structures of PrCO2Si2 and TbCo2Si2 compounds

Neutron diffraction studies of polycrystalline PrCo₂Si₂ and TbCo₂Si₂ compounds were carried out at 4.2 and 293 K. Both samples have collinear antiferromagnetic order below T_N(31(1) and 46(1) K for Pr and Tb compound respectively), with their magnetic moments parallel to the c axis. The ordered magnetic moment values of Pr and Tb at 4.2 K (3.19 and 9.12 μ_B respectively), are close to the saturation value of the free ions. The corresponding magnetic space group P_l4/mnc (Sh⁴¹⁰₁₂₈) is body-anticentered ($\text{k =}\text{111}\text{222}$ refering to P_l cell).     

Crystal structure of and evidence of a lattice distortion in (Me2ø2P)(TCNQ)2

(Dimethyldiphenylphosphonium)⁺(7,7,8,8-tetracyanoquinodimethanide)^?₂ is monoclinic, space group C_c, with a = 32.01(2), b = 6.56(1), $\text{c = 15.72(2)}\text{A}\text{?}$, β = 107.4(8)°. The TCNQ's stack plane-to-plane in columns parallel to b with (i) a mean interplanar spacing of 3.28 Å along the conducting chains and (ii) an exocyclic bond to quinonoid ring overlap of adjacent molecules. The conductivity along b, the needle axis, varies as $\text{σ = σ}{}_0\text{exp}\text{(}\text{?E}{}_{\mathrm{a}}\text{kT}\text{)}$ where σ_{300 K} = 0.05 S cm^?1 and E_a = 0.20 eV (Diethyldiphenylphosphonium)⁺(7,7,8,8-tetracyanoquinodimethanide)^?₂ is similarly monoclinic, space group C_c, with a = 31.48(2), b = 6.51(1), $\text{c = 15.48(2)}\text{A}\text{?}$, β = 104.2(8)°. The conductivity at 300 K and activation energy, both determined along b, are 1–10 S cm^?1 and 0.05 eV respectively. There is evidence of a lattice distortion in the dimethyl analogue only.     

Magnetic properties of NdAu2Ge2

Physical properties of NdAu₂Ge₂, crystallising with the tetragonal ThCr₂Si₂-type crystal structure, were investigated by means of magnetic, calorimetric and electrical transport measurements as well as by neutron diffraction. The compound exhibits antiferromagnetic ordering below T_N=4.5 K with a collinear magnetic structure of the AFI-type. The neodymium magnetic moments are parallel to the c-axis and amount to 1.04(4) μ_B at 1.5 K. The observed magnetic behaviour is strongly influenced by crystalline electric field effect.     

Conductivite ionique des systemes Kx(Znx/2Ge1-x/2)O2 et Kx(GaxGe1-x)O2 de structure cristobalite

The crystal chemistry of the K_x(Zn_x/2Ge_{1-$\text{x}\text{2}$})O₂ and K_x(Ga_xGe_1-x)O₂ systems has been investigated. In each of them a solid solution with a cristobalite-type structure has been obtained with a 0.90?×?1 range. The K⁺ conductivity increases strongly with vacancy content, while the activation energy remains nearly constant.Influence of various crystal chemical parameters on the conductivity (lattice covalency, size of the bottlenecks, etc...) is discussed.     

Magnetic ordering and low-temperature thermodynamic properties of ErFe2Ge2

Polycrystalline sample of ErFe₂Ge₂ was investigated by means of magnetic susceptibility, heat capacity and electrical resistivity measurements, as well as by powder neutron diffraction. All these experiments yielded an evidence of magnetic ordering setting at about 3 K. The low-temperature neutron data revealed the formation of a sine-modulated commensurate antiferromagnetic structure characterized by the propagation vector k=(0, 0, ). The erbium magnetic moment is aligned parallel to the crystallographic a-axis. At T=1.55 K it is equal to 7.06(5) μ_B.     

Neutron diffraction study of magnetic ordering in PrCu2Si2, PrCu2Ge2, PrFe2Ge2 and NdFe2Ge2

A neutron diffraction study of polycrystalline PrCu₂Si₂ [1], PrCu₂Ge₂ [2], PrFe₂Ge₂ [3] and NdFe₂Ge₂ [4] intermetallics carried out at liquid helium temperature shows the presence of a collinear antiferromagnetic order below T_N = 19 ± 1 K [1], T_N = 16 ± 1 K [2], T_N = 9 ± 1 K [3] and 13 ± 1 K [4]. Magnetic moment, parallel to the c-axis is localized on RE ions only. The magnetic structure of these compounds consists of ferromagnetic layers perpendicular to the c-axis coupled antiferromagnetically with sequence +-+- for PrCu₂Si₂ and PrCu₂Ge₂ and +--+ for PrFe₂Ge₂ and NdFe₂Ge₂. The RE moments amount close to the free ion values for Fe containing compounds but are smaller in those containing Cu suggesting a fairly strong influence of crystal field.     

Magnetic and transport properties of single-crystal Yb3Cu4Ge4

The magnetic and transport properties of single-crystal Yb₃Cu₄Ge₄ with the Gd₃Cu₄Ge₄-type orthorhombic structure are presented. Magnetization along the b-axis at 2 K saturates to 2.8_μB/Yb$2.8{\mu }_{\mathrm{B}}/\mathrm{Yb}$ at 3 kOe, while that along the a- and c-axes at 2 K are gradually increasing to the value of 1.5_μB/Yb$1.5{\mu }_{\mathrm{B}}/\mathrm{Yb}$ and 0.39_μB/Yb$0.39{\mu }_{\mathrm{B}}/\mathrm{Yb}$ at 50 kOe, respectively. The electrical resistivity within the ab-plane shows a metallic behavior in contrast to a broad maximum at around 30 K for that along the c-axis. Each resistivity for the principal axis suddenly decreases below 8 K. The specific heat shows a λ-type$\lambda \mathrm{-}\mathrm{type}$ sharp peak at 7.8 K. The electronic specific heat coefficient is estimated to be 29.4 mJ/mol Yb K² by fitting the magnetic part of the specific heat below 3 K. The magnetic entropy released up to T_C is 68% of that of R ln 2, expected for the doublet ground state. It is revealed that Yb₃Cu₄Ge₄ is categorized to a weak heavy-fermion system showing a ferromagnetic transition at 7.8 K with uniaxial anisotropy along the b-axis.     

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.     

A powder neutron diffraction study of the ErCu2Ge2 compound - crystal field

The compound ErCu₂Ge₂ was studied by neutron diffraction. The diffraction diagram of this compound at 170 K agrees with its crystallographic structure. Its diagram at 1.9 K reveals the existence of superlattice lines consistent with a cell doubled in the a and c directions. The erbium magnetic moment (8.0±0.4)μ_B lies on the c-axis. Crystal field calculations on the Er³⁺ site give 7.9μ_B, with easy magnetization axis the c-axis of the crystal. Copper must contribute to the V^m_l crystal field parameters with a charge equal to 0.6⁺.