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 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.     

Pressure induced phase transition in the highly anisotropic compound: Y2[Pt(CN)4]3·21H2O

For the linear chain system Y₂[Pt(CN)₄]₃·21H₂O a pressure induced phase transition is observed by emission spectroscopy. At p_trans=(5±0.5) kbar and T=295 K the compound undergoes a first order phase transition, in the course of which the intra-chain Pt-Pt distance R shrinks by $\text{ΔR≈}\text{-0.03}\text{A}\text{?}$. An approximate value had already been found at standard pressure for a temperature induced phase transition (T_trans=218 K).     

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.     

Critical behavior of Fe15Ni65B18Si2 ferromagnetic glass

AC susceptibility, magnetization and electrical resistivity around the Curie temperature (T_c) were measured for Fe₁₅Ni₆₅B₁₈Si₂ glass. The results yield T_c = (307.6±0.1) K and the following critical exponents γ = 1.50±0.03, β = 0.375±0.01, δ = 5.1±0.1 andα = -0.29±0.05. These values were obtained in the reduced temperature interval $\text{1×10}{}^{-3}\text{?}\text{|T?T}{}_{\mathrm{c}}\text{|}\text{T}{}_{\mathrm{c}}\text{?5 ×10}{}^{-2}$. In spite of the fact that these values for the critical exponents were obtained from different measurements they obey the equality relations γ = β(δ?1) and γ+2β+α = 2. Reduced magnetisation and field follow a magnetic equation of state derived for a second-order phase transition over a wide temperature range. This set of critical exponents is compared with those derived from the Heisenberg model as well as with the usual ones for a pure crystalline ferromagnets. The comparison shows that the values of |α| and γ, for our alloy, are considerably larger than those from the model and the usual crystalline ones. A similar difference is also observed in some other amorphous and dilute crystalline ferromagnets and is probably due to magnetic inhomogeneities.     

Non-cubic Mn2+-centers in BaF2

The EPR spectra of thermally treated BaF₂: Mn samples is reported. After thermal annealing at 900 K a trigonal Mn²⁺ center with g=2.000±0.005, |D|=2725±40MHz, |A|=265±10MHz, $\text{D}\text{A}\text{>0}$, is observed. Annealing at 1200 K produces an orthorhombic Mn²⁺ center with g=2.00±0.01, |D|=2430±40MHz, |E|=570±20MHz, |A|=265±10MHz, $\text{D}\text{A}\text{<0}$. The superhyperfine (SHF) structures due to interactions with the neighbouring fluorines indicates that the trigonal manganese interacts with four fluorines, three of them equivalent. The orthorhombic Mn²⁺ shows interaction with four equivalent fluorine nuclei.     

Tetravalent vanadium in CaF2 and SrF2 crystals: An EPR study

An EPR study of tetravalent vanadium centers created by room temperature X-irradiation in CaF₂ and SrF₂ is presented. The production efficiency of these centers is enhanced by previous annealing of the samples at 1000 K in air. The symmetry of V⁴⁺ ions is tetragonal and its EPR spectrum can be described by an axial spin Hamiltonian including a Zeeman and hyperfine term with $\text{S =}\text{1}\text{2}$ and $\text{I =}\text{7}\text{2}$ (corresponding to ⁵¹V nuclei). The following values for the spin Hamiltonian parameters are obtained g_∥ = 1.947 ± 0.002, g_⊥ = 1.935 ± 0.005, A_∥ = 500 ± 5 MHz, A_⊥ = 150 ± 10 MHz in the case of SrF₂ and g_∥ = 1.945 ± 0.002, A_∥ = 505 ± 5 MHz and A_⊥ < 200 MHz, in the case of CaF₂. A model for the center including an interstitial O^2? ion is tentatively proposed.     

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.     

Neutron diffraction in a random two-component magnetic system: CsMn0.96Co0.04Cl3.2D2O

Neutron diffraction expriment has been performed on the quasi-one-dimensional antiferromagnet, CsMn_0.96Co_0.04Cl₃.2D₂O, in which two different magnetic ions with competing spin anistropies are randomly distributed. Magnetic scattering data show that the easy spin axis tilts substantially (～ 40° from the easy axis of Mn salt to that of Co salt at 3.8 K) even for such a dilute mixture. The magnetic ordering temperature T_N can be definitely determined owing to the absence of the diffuse Bragg intensity at T_N, to be 4.80 ± 0.02 K. The obtained value of the critical index, β = 0.23 ± 0.02 is found to be considerably smaller in magnitude than both of those found in the Mn and Co salts. Some possible origins for the small β are discussed. The concentration dependence of T_N IS analyzed in terms of the impurity-linked chain model with $\text{|J}{}_{\mathrm{<mtext>MnCo</mtext>}}\text{|}\text{k}\text{= 14.7}\text{K}$.     

Absorption spectra of Ni2+ in (NH4)2Mg(SO4)2·6H2O and Co2+ in Na2Zn(SO4)2·4H2O

Optical absorption spectra of Ni²⁺ in (NH₄)₂Mg(SO₄)₂·6H₂O and Co²⁺ in Na₂Zn(SO₄)₂·4H₂O single crystals have been studied at room and liquid nitrogen temperatures. From the nature and position of the observed bands, a successful interpretation could be made assuming octahedral symmetry for both the ions in the crystals. The splitting observed for ${}^3\text{T}{}_{\mathrm{1g}}\text{(F)}$ band in Ni²⁺ and ${}^4\text{T}{}_{\mathrm{2g}}\text{(F)}$ band in Co²⁺ at liquid nitrogen temperature have been explained as due to spin-orbit interaction. The extra band observed at 16,325 cm^-1 in the case of Ni²⁺ at low temperature has been interpreted to be the superposition of vibrational mode of SO^2-₄ radical on ${}^3\text{T}{}_{\mathrm{1g}}\text{(F)}$ band. The observed band positions in both the crystals have been fitted with four parameters B, C, Dq and ζ.     

Critical behaviour of a uniaxial ferromagnet,ErCl3·6H2O with predominant dipolar interactions

The parallel magnetic susceptibility χ of a uniaxial ferromagnet ErCl₃·6H₂O has been measured between 0.3 and 4.2K and specially near T_c = 0.353 K. The predominant contribution to the Curie-Weiss temperature is due to the dipolar interactions. χ is proportional to ?^?γ with $\text{? =}\text{T}\text{T}{}_{\mathrm{c}}\text{?1}$ in the range 10^?3 < ? < 5 × 10^?2. The γ value, γ = 1.01 ±0.03 is consistent with the theoretical prediction for a uniaxial dipolar ferromagnet.     

Charge density wave commensurability in 2H-TaS2 and AgxTaS2

The charge density wave transition in 2H-TaS₂near 75 K has been observed to be incommensurate, using electron diffraction, with $\text{q}{}^1\text{= (}\text{0.338}\text{±}\text{0.002}\text{)a}{}^1{}_0$ along the 〈10.0〉 directions which, within the experimental uncertainty, remains temperature independent to about 14 K. Incommensurate charge density formation is also observed in Ag_xTaS₂ samples for $\text{x?}\text{0.26}$ with an increase in q¹ to $\text{(}\text{0.347}\text{±}\text{0.002}\text{)a}{}^1{}_0$ when x?0.26. Within the experimental error q¹ appears to be temperature independent to 25 K.     

Further neighbour interactions in the quasi b.c.c. Heisenberg ferromagnets M2 Cu X4 · 2H2 O (M = NH4, K,Rb or Cs; X = Cl or Br)

The Curie-Weiss constant θ of the quasi b.c.c., $\text{S =}\text{1}\text{2}$, Heisenberg ferromagnets, (NH₄)₂ Cu Br₄ · 2H₂ O and Rb₂ Cu Br₄ · 2H₂ O, have been derived from measurements of the susceptibility in the paramagnetic region (4.2 < T < 100 K) and of the high-field magnetization curves at $\text{T = 4.2}\text{K}\text{(}\text{T}\text{T}{}_{\mathrm{c}}\text{? 2.3)}$. The $\text{T}{}_{\mathrm{c}}\text{θ}$ values obtained point to the presence of further neighbour interactions considerably stronger than previously assumed. The effective number of equivalently interacting magnetic neighbours is estimated to be at least seventeen.     

Optical mode softening in the incommensurate phase of Sr2Nb2O7

In the incommensurate phase below about 220°C of Sr₂Nb₂O₇, the soft mode, of which frequency decreases toward 215°C has been found by the Raman scattering measurements in the $\text{b(cc)}\text{b}$ scattering geometry. The level repulsion and the intensity transfer between the soft mode and another low frequency mode are clearly observed. The uncoupled soft mode frequency ω_s has been found to be expressed as ω_s =A(T_tr?T)^β, where β= 0.38 ± 0.02. Pressure dependence of the soft mode has also been measured up to 24kbar. No remarkable pressure dependence has been observed.     

High-resolution infrared spectrum of the ν2 and ν8 bands of CH2D2

A high-resolution infrared spectrum of methane-d₂ has been measured in the C-D stretching band region (2025–2435 cm^?1). Rotational structures of the ν₂ and ν₈ bands have been assigned by use of the ASSIGN-diagram method, and the c-type Coriolis interaction between ν₂ and ν₈ has been analyzed. The band origins, ν₂ = 2203.22 ± 0.01 cm^?1 and ν₈ = 2234.70 ± 0.01 cm^?1, the rotational constants and the centrifugal distortion constants for the two bands, and the Coriolis coupling constant, $\text{∥;ξ}{}_{28}{}^{\mathrm{c}}\text{∥; = 0.182 ± 0.015}\text{cm}{}^{\mathrm{?1}}$, have been determined.     

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.     

Analysis of torsional splittings in the microwave spectra of dimethylether,CH3OCH3 and its isotopes,CD3OCH3 and CD3OCD3

The multiplet splitting patterns of microwave transitions in the ground state and the first two torsional excited states of CH₃OCH₃, CD₃OCD₃, and CD₃OCH₃ were analyzed in terms of the semirigid rotor models C_2vF-C_3vT-C_3vT and $\text{C}{}_3\text{F-}\text{C}{}_{\mathrm{3v}}\text{T-}\text{C}{}_{\mathrm{3v}}\text{T}\text{?}$. The following nonzero potential coefficients were obtained for CH₃OCH₃: V₃₀ = V₀₃ = 909.05 ± 0.49 cm^?1, V′₃₃ = 5.06 ± 1.60 cm^?1; for CD₃OCH₃: V₃₀(CD₃) = 897.18 ± 2.41 cm^?1, V₀₃(CH₃) = 910.45 ± 0.33 cm^?1; for CD₃OCD₃: V₃₀ = V₀₃ = 897.00 cm^?1. These results are compared to earlier microwave studies of these molecules.     

Electron paramagnetic resonance of 61Ni+ in CuGaS2

EPR of ⁶¹Ni⁺ doped CuGaS₂ at 4.2 K leads to the following experimental data: $\text{g = 1.918 ± 0.006 A  < 12 × 10}{}^{-4}\text{cm}{}^{-1}\text{, g}{}_{\mathrm{\perp }}\text{= 2.328±0.006 A}{}_{\mathrm{\perp }}\text{= (65±2) × 10}{}^{-4}\text{cm}{}^{-1}$. High axial field splitting of ²T₂ state stabilizes the center against Jahn-Teller interaction. Covalency reduction factor k is 0.76.     

Neutron diffraction study of magnetically ordered TbAsO4

TbAsO₄ undergoes a magnetic phase tranfition at T_N = 1.5 K into a helical antiferromagnetic moment configuration. The spiral is planar, with the propagation vector along [001] and the moments perpendicular to [001]. The propagation period is $\text{197 ± 12}\text{A}\text{?}$, equivalent to 31 ± 2 unit cell constants. The neutron diffraction results are discussed in connection with previously measured macroscopic data.     

A monte-carlo/molecular dynamics study of the diffusional recombination kinetics of C(a) + O(a) → CO(g) on Pt(111)

The diffusion constants for C and O adsorbates on Pt(111) surfaces have been calculated with Monte-Carlo/Molecular Dynamics techniques. The diffusion constants are determined to be D_C(T)=(3.4 × 10^?3e^{$\text{?13156}\text{T}$})cm²s^?1 for carbon and D_O(T) = (1.5×10^?3 e^{$\text{?9089}\text{T}$}) cm² s^?1 for oxygen. Using a recently developed diffusion model for surface recombination kinetics an approximate upper bound to the recombination rate constant of C and O on Pt(111) to produce CO_(g) is found to be (9.4×10^?3 e^{$\text{?9089}\text{T}$}) cm² s^?1.