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.     

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.     

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).     

Thermal and magnetic studies of the nearly one-dimensional antiferromagnetic system CsNiBr3

Magnetic susceptibility, specific heat and ¹³³Cs magnetic resonance measurements in a single crystal of CsNiBr₃ are reported. The data reveal two magnetic transitions separating the paramagnetic phase from the antiferromagnetic ground state. At the higher transition temperature T_N2 = (14.25 ± 0.05)K a net magnetic moment is observed only along the hexagonal c-axis, while only below the lower transition temperature T_N1 = (11.75 ± 0.05)K a perpendicular component of the magnetic moment appears also. Above T_N2 CsNiBr₃ can be described as a one-dimensional antiferromagnet with intrachain exchange interaction $\text{J}\text{k}{}_{\mathrm{B}}\text{= ?(17.0 ± 0.2)}\text{K}$ and single-ion anisotropy constant $\text{D}\text{k}{}_{\mathrm{B}}\text{? ?1.5}\text{K}$. Below T_N1, the data are consistent with the non-colinear triangular structure of the Ni²⁺ moments proposed previously for the isomorphic crystal CsNiCl₃. A reduced value of the zero-temperature susceptibility over the classical value is found and atrributed to the zero point deviations.     

Specific heat of (C6H11NH3) CuCl3 (CHAC), a system of ferromagnetic chains

The heat capacity of (C₆H₁₁NH₃) CuCl₃ (CHAC) has been measured for 0.45 < T < 60 K. Three-dimensional ordering is observed at T = 2.214 K. The data in the paramagnetic region can be described by a ferromagnetic $\text{S =}\text{1}\text{2}$ Heisenberg linear chain model system with J/k = +45 ± 5K.     

Linear-chain antiferromagnetism in Ni(N2H5)2(SO4)2

The compound dihydrazinium bis(sulfato) niccolate(II), Ni(N₂H₅)₂(SO₄)₂, containing sulfato-bridged chains of Ni(II) ions, can be described as an antiferromagnetic Heisenberg linear-chain system. A reasonable agreement of susceptibility measurements in the temperature region 2–80K, with a theory developed by Weng for antiferromagnetic Heisenberg linear chains with spin S=1, is obtained for a value of the intra-chain interaction $\text{J}\text{k}\text{=?3.35K}$. Preliminary results of specific heat measurements, on the other hand, do not fit quite well using this model. The origin of this discrepancy is suggested to be a zero-field splitting of the single ion.     

The antiferromagnetic structures of TbCu2Ge2 and HoCu2Ge2 by neutron diffraction

The magnetic structures of TbCu₂Ge₂ and HoCu₂Ge₂ were studied by neutron diffraction. At 293 K the chemical structure is tetragonal body centered, space group I 4/mmm. The magnetic cell at 4.2 K is four times larger than the chemical one with a wave vector $\text{k =}\text{1}\text{2}\text{0}\text{1}\text{2}$. The magnetic space group is triclinic P_a$\text{1}$(Sh₂⁷) for both compounds. The moment values and directions are μ_Tb = 8.48(6) [μ_B] along [110] tetr. and μ_HO = 6.5(1)[μ_B] making an angle of 81.4(°) with c and 80(°) with a₁. The structure consists of ferromagnetic (101) layers stacked antiferromagnetically.     

Susceptibilities of the S = 12 XY model on the square lattice at T = 0

For the $\text{S =}\text{1}\text{2}\text{XY}$ model at T = 0 four susceptibilities have been calculated exactly on a sequence of finite square lattices and extrapolated to the infinite square lattice. For the ferromagnet χ_zz = 0 while χ_xx ～ N^2.9; for the antiferromagnet $\text{J}{}_{\mathrm{\chi xx}}\text{N(gμ}{}_{\mathrm{<mtext>B</mtext>}}\text{)}{}^2\text{= 0.025 ± 0.002}$ and $\text{J}{}_{\mathrm{\chi xx}}\text{N(gμ}{}_{\mathrm{<mtext>B</mtext>}}\text{)}{}^2\text{= 0.13 ± 0.03}$.     

Inelastic neutron scattering study of magnetic excitations in the helimagnetic and antiferromagnetic phases of NiBr2

The spin wave dispersion in NiBr₂ has been studied by medium and long wavelength inelastic neutron scattering in the [1 1 0], [1 0 0] and [0 0 1] directions at 4.2 and 30 K, i.e. in the incommensurate helical and collinear antiferromagnetic phases. The values of the intralayer Heisenberg exchange constant J_ij and XY anisotropy constant D at 4.2(30) K are J₀₁ 0.379(1)(0.379(1)), J₀₂ 0.0036(50)(0.0036(50)), J₀₃ - 0.105(5) (?0.105(5)), J′ - 0.0423(50)(?0.389(50))D 0.0364(50)(0.0290(50)), where J′; is the interlayer exchange constant. In fitting the 4.2 K data account is taken of the co-existence of three equivalent domains and of intensity arising from $\text{ω(}\text{q}\text{)}$ and $\text{ω(}\text{q ± k}{}_0\text{)}$ where $\text{k}{}_0$ is the wavevector of the helix. In the low frequency region of the dispersion curve such peaks are resolved. The results reinforce the hypothesis that in zero-field the commensurate-incommensurate phase transition is driven by fluctuations.     

Magnetic hyperfine interaction and curie temperatures of amorphous (FexNi1−x)80P14B6

Amorphous magnetic glasses (Fe_xNi_1?x)₈₀P₁₄B₆ (0.1 ? x ? 1) have been studied by Mössbauer spectroscopy. At 4.2 K, well-defined and very similar spectra have been observed for samples with different Fe concentration. This suggests that the Fe hyperfine field distribution is insensitive to the amount of dilutant. The value of the average hyperfine field at 4.2 K increases with Fe concentration. A value of 232 kOe is obtained by extrapolating to zero Fe concentration. The relationship $\text{H}{}_{\mathrm{eff}}\text{(O) = (232 + 33}\text{μ}\text{)}\text{kOe}$, similar to that of crystalline Fe-Ni alloys describes the results. The values of T_c = 60 K, 234 K and 425 K have been determined for samples with x = 0.125, 0.25 and 0.375 respectively. The T_C vs. x relation suggests a critical concentration of x_c ? 0.1, above which ferromagnetism exists. By fitting the measured values of T_C to the results of a coherent potential approximation, exchange interaction temperatures of J_FeFe = 617 K, J_FeNi = 800 K and J_NiNi ? 0 K have been obtained.     

Electrical properties of narrow gap semiconductor PtSb2

Results of measurements of conductivity, Hall and Seebeck coefficients of tellurium doped n-type crystals of platinum antimonide are presented. The Hall coefficient and the Seebeck coefficient undergo sign inversion twice, below and above room temperature. The detailed analysis of the experimental results revealed that below 200 K PtSb₂ can be described by a simple conduction and valence band model. The energy gap E_g = (110?0.15 × T) (meV), the electron conductivity mass m_n^c/m₀ = 0.35, acoustic phonon limited electron mobility 〈μ_a〉_n = 3 × 10⁶ T^{?$\text{3}\text{2}$} ($\text{cm}{}^2\text{V · s}$) and mobility ratio 〈μ_a〉_n/〈μ_a〉_p = 0.4 are determined. However, at higher temperatures a more complicated valence band model is needed to account for the experimental results. The arguments for the existence of subsidiary valleys in the valence band are presented.     

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).     

Magnetic structure of BaCaFe4O8-analysis of neutron diffraction measurements

The compound BaCaFe₄O₈ crystallizes in the trigonal space group P$\text{31}$m with one formula unit per unit cell with lattice constants $\text{a = 5.4059}\text{A}$ and $\text{c = 7.7023}\text{A}$ Neutron diffraction measurements carried out on a powder sample over the temperature range 300–900 K showed that the compound undergoes a magnetic transition to an antiferromagnetic state at a Néel temperature T_N = 680 ± 5 K. Analysis of the room temperature neutron diffraction pattern gave a magnetic unit cell that has the same periodicty as the crystallographic one. An antiferromagnetic model is proposed with the iron spin magnetic moments parallel to the c-axis of the unit cell. The magnetic moment of the Fe³⁺ ion was found to be (4.5 ± 0.1)μ_B     

Molecular constants for the I1Πg and J1Δg states of the 3d complex in H2, HD,and D2

The experimental rovibronic energies of the 3dπI¹Π_g^? and 3dδJ¹Δ_g^? states of H₂ and D₂ (v = 0–4 and N = 1–11) have been fitted by rovibronic constants, including L-uncoupling through constants B_v^ΠΔ and D_v^ΠΔ. Comparison of the constants obtained for H₂ and D₂ yields information on the Born-Oppenheimer and adiabatic electronic energies T_e^BO and T_e^AD, and on the diagonal corrections for nuclear motion. T_e^BO derived from experiment for the I¹Π_g state lies 2 cm^?1 below the ab initio calculation of Ko?os and Rychlewski (J. Mol. Spectrosc., 66, 428–440 (1977). The nuclear mass dependence of the ω_e and B_e values in H₂ and D₂ deviates from simple isotope relationships but agrees with expectations based on the R-dependence of the diagonal corrections for nuclear motion through the term $\text{〈L}{}^2\text{?2}\text{Λ}{}^2\text{〉}\text{2μR}{}^2$, i.e., $\text{+2}\text{μR}{}^2$ for 3dπ and $\text{?1}\text{μR}{}^2$ for 3dδ.     

Study on vacancy motion in Y2O3-doped CeO2 by 17O NMR technique

The ¹⁷O NMR measurement was made to elucidate the microscopic nature of vacancy motion in Y₂O₃-doped CeO₂. Spin-lattice relaxation rate, T^?1₁, spin-spin relaxation rate, T^?1₂, and resonance intensity were measured at v₀ = 8.13 MHz as a function of temperature [385 < T (K) < 1110] and composition [$\text{0.06 <}\text{Y}{}_2\text{O}{}_3\text{(}\text{m}\text{o}\text{) < 6}$]. The static electric field gradient associated with lattice defects resulted in the composition dependences of the line width and the intensity. In low dopant concentrations, doubly peaked temperature dependence of T^?1₁ was found, while a single and asymmetric peak was observed in high concentrations. T^?1₁ of 4.0 and 6.0 $\text{m}\text{o}$ doped samples were analyzed using a barrier height distribution model for the oxygen vacancy jump. The mean value of the activation energy was found to increase with the Y₂O₃ concentration.     

Magnetic structure of the compound CeIn3

Neutron diffraction measurements on the CeIn₃ compound show that the magnetic ordered phase is an antiferromagnetic one with a propagation vector ($\text{1}\text{2}$, $\text{1}\text{2}$, $\text{1}\text{2}$) and a weak value of the magnetic moment 0.48±0.08 μ_B. Comparison are made with the CeAl₂ and CeSn₃ cases.     

One-dimensional magnetism in N2H6FeF5,

A new Fe(III) fluoride N₂H₆FeF₅ has been investigated by magnetic susceptibility measurements and Mössbauer resonance. It has a one-dimensional magnetic behaviour. The intrachain exchange integral ($\text{J}\text{k}\text{= -10.2}\text{K}$) has been determined by fitting the χ^-1 = f(T) curve and the ratio between the inter- and intrachain exchange integrals evaluated with Oguchi's formula. Below T_N = 9 K, N₂H₆FeF₅ shows a long range three-dimensional anti-ferromagnetic ordering.     

Microwave measurements and calculations of quadrupole coupling effects in CH3I and CD3I

The transitions J = 1 ← 0, K = 0; J = 2 ← 1, K = 0; and J = 2 ← 1, K = 1 of CH₃I and CD₃I were measured using a Stark-modulated microwave spectrometer. Iodine quadrupole coupling strengths were analyzed to determine variations with deuterium substitution on the methyl group and variations with centrifugal distortion. Quadrupole coupling strengths were described by the expression $\text{eQq}{}_0\text{+ aJ(J + 1) + bK}{}^2\text{+}\text{cK}{}^4\text{J(J + 1)}$. Explicit expressions are given for a, b, and c for a symmetric top in terms of molecular parameters. For CH₃I eQq₀ = ?1934.11 ± 0.02 MHz and for CD₃I eQq₀ = ?1928.95 ± 0.04 MHz. Rotational constants obtained are B(CH₃I) = 7501.274 ± 0.002 MHz and B(CD₃I) = 6040.298 ± 0.007 MHz. The observed fractional change in halogen quadrupole coupling of 0.0027 is related to previous results for methyl chloride and methyl bromide.     

A Mössbauer study of amorphous Fe40Ni40B20

Amorphous Fe₄₀Ni₄₀B₂₀ (VITROVAC 0040) alloy has been investigated using ⁵⁷Fe Mössbauer Spectroscopy. The Curie temperature T_c is found to be well defined and is 695 ± 1 K. The quadrupole splitting just above T_c is 0.64 mm sec^?1. The crystallization temperature is 698 ± 2 K, close to but definitely above T_c. The average hyperfine field H_eff(T) of the glassy state shows a temperature dependence of $\text{H}{}_{\mathrm{<mtext>eff</mtext>}}\text{(0)[1 ? B}{}_{\mathrm{<mtext>3</mtext><mtext>2</mtext>}}\text{(T/T}{}_{\mathrm{c}}\text{)}{}^{\mathrm{<mtext>3</mtext><mtext>2</mtext>}}\text{? C}{}_{\mathrm{<mtext>5</mtext><mtext>2</mtext>}}\text{(T/T}{}_{\mathrm{c}}\text{)}{}^{\mathrm{<mtext>5</mtext><mtext>2</mtext>}}\text{? …]}$ indicative of the existence of spin wave excitations. The values of $\text{B}{}_{\mathrm{<mtext>3</mtext><mtext>2</mtext>}}$ and $\text{C}{}_{\mathrm{<mtext>5</mtext><mtext>2</mtext>}}$ are found to be 0.40 and 0.06, respectively, for T/T_c ? 0.72. At temperatures close to T_c, H_eff(T) varies as (1 ? T/T_c)^β where β is one of the critical exponents and its value is found to be 0.29 ± 0.02.     

Lambda-doubling in the C1Πu state of H2

The Λ-doubling of the H₂C¹Π_u state rovibronic energy levels by interaction with the $\text{B}{}^1\text{Σ}{}_{\mathrm{u}}{}^{\mathrm{+}}$ state is calculated. The present calculation seeks to improve on the similar work of Julienne (1) in three respects (1) The pure precession approximation is not made. (2) Stwalley's B-state potential curve (8) is used and the B- and C-state zero-order eigenvalues are more accurately positioned. (3) The effect of the B-state vibrational continuum is included. The Λ-doubling values agree with experiment to within 1.0 cm^?1 for J = 1, 2, and 3, and to within 1.5 cm^?1 for J = 4 and 5. It is shown that the Λ-doubling coupling matrix elements provide a sensitive test of electronic potential energy curves. In particular, the inaccuracy of the left limb of the B-state RKR curve is demonstrated.