Jahn-Teller analysis of the 3T1(P) absorption band of Ni2+ in GaP

Comparison between experimental absorption due to the ${}^3\text{T}{}_1\text{(F)?}{}^3\text{T}{}_1\text{(P)}$ transition of substitutional Ni²⁺(d⁸) in GaP and theoretical predictions based on the Jahn-Teller model is presented. Numerical solution of the Hamiltonian, in which spin-orbit interaction and T₂-mode Jahn-Teller coupling are included, is in very good agreement with the energy position and intensities of the observed absorption lines.     

A possible correlation between a Jahn-Teller coupling and a Raman scattering

It has been shown how the Raman line of a degenerate vibration can be caused by a vibronic coupling in a degenerate electronic excited state. Such a vibronic coupling is known to cause a distortion in the equilibrium conformation of the molecule (Jahn-Teller distortion) from the symmetrical conformation, and the Raman scattering tensor is found to be calculated by the use of the amount (δ) of this distortion as an empirical parameter. It has been suggested that some of the Raman lines for the degenerate stretching vibrations, which become stronger with the exciting frequency, in some molecules, are caused by such Jahn-Teller couplings. For the intensity of the Raman line at 887 cm^?1 of the degenerate stretching vibration of chromate anion, a slightly more detailed examination has been made, and the amount of the Jahn-Teller distortion in a $\text{B}\text{?}$ (T₂) electronic state has been estimated to be 0.2₀ Å amu^1/2 along the normal coordinate of this vibration.     

The cooperative Jahn-Teller effect in uranium (4+) hydroxy-sulphate

The magnetic susceptibility measurements of orthorhombic U(OH)₂SO₄ within the temperature range 4.2–300 K have revealed a magnetic anomaly at T_D = 21 K associated with crystallographic transition induced by the cooperative Jahn-Teller effect. Above 21 K the magnetic susceptibility of the uranium (4+) ion corresponds to the electronic ground doublet ${}_{\mathrm{¡}}\text{M}{}_{\mathrm{J}}\text{= ± 2〉}$ confirming thus the antiprismatic symmetry (D_4d) of the crystal field at the uranium site. Below T_D the system of two singlets ($\text{1}\text{√2}$)|2〉 ± ($\text{1}\text{√2}$)|$\text{2}$〉 separated by δ(T) is the ground state of the uranium ion.     

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.     

Dynamics of the infinite-range ising spin glass

The Glauber dynamics of an Ising spin glass with infinite-range interactions and additional static field, h, is investigated near the freezing temperature, T_f. We obtain critical slowing down at and below the de Almeida-Thouless instability line, h_c(T), to order (1?T/T_f)³ with algebraic decay of the spin correlations ～t^?ν, where $\text{ν=}\text{1}\text{2}$ at T_f and $\text{ν≤}\text{1}\text{2}$ for T<T_f.     

NMR study of one-dimensional ionic conductor with hollandite-type structure. II. Frequency dependence of spin-lattice relaxation time of 27Al

Frequency dependence of spin-lattice relaxation time T₁ of ²⁷Al in one-dimensional K⁺ ion conductor, K-Al-priderite, was measured at 45 K in the frequency range from 10.1 MHz to 55 MHz. It is found that T₁ is proportional to ω^1.49±0.05 and agrres well with the $\text{ω}{}^{\mathrm{<mtext>3</mtext><mtext>4</mtext>}}$ dependence derived by the continuum diffusion model. The intrinsic activation energy is determined to be 0.058 eV by doubling the slope E_NMR=0.029 eV of the d(ln T₁)/dT curve in the low temperature region. The frequency dependence of T₁ in the high temperature region measured in the frequency range from 11.5 MHz to 20.8 MHz shows a tendency that the frequency dependence becomes smaller than the $\text{ω}{}^{\mathrm{<mtext>1</mtext><mtext>2</mtext>}}$ dependence as temperature is raised above 450 K.     

Thermal changes in the optical properties of SnSxSe2−x crystals

Optical measurements on crystals in the series SnS_xSe_2?x for 0 ? x ? 2, have yielded information on the changes in the ordinary refractive index $\text{Δn}\text{ΔT}$ and the energy gap $\text{ΔEg}\text{ΔT}$ in the temperature range 125–425 K. The coefficient $\text{Δn}\text{ΔT}$ has values +40 to +160 × 10^?6K^?1 and this confirms that covalent bonding predominantly exists in these materials. The coefficient $\text{ΔEg}\text{ΔT}$ remains fairly consistent for all values of x with an average value of -8.0×10^-4eV K^-1.     

The cosmic microwave background and the hadron era of the early universe: A possible connection

A cosmological model is constructed which is a Friedman model, but with a finite ultimate temperature (T_F). A plausible argument is presented which suggests that the existence of T_F and the cosmic microwave background restricts the form of the hadronic level density:

, where A, B = constants. In our model, $\text{B =}\text{7}\text{2}\text{?}\text{3}\text{s}\text{,}\text{where}\text{s =}\text{positive}$ integer. The case $\text{s = 3 (B =}\text{5}\text{2}\text{)}$ is the well-known Hagedorn model; the Frautschi model corresponds to s = 6 (B = 3); the cases $\text{s = 1 (B =}\text{1}\text{2}\text{)}$ and s = 2 (B = 2) have not been considered before now. For each value of $\text{B <}\text{7}\text{2}$, the model gives the temperature (T_γ0) of the microwave background as a function of A, T_F and ?₀ (the present energy density of the universe). Two fascinating results then emerge: first, all estimates of T_γ0 favor a low density Friedman universe (?0 = 10^?31g/cm³), which rules out a universe with positive curvature; second, for ?₀ = 10^?31gr/cm³ the best estimate of T_γ0 (?3K) occurs for the Hagedorn model.     

Diffusion and NMR spin lattice relaxation of 1H in α′ TaHx and NbHx

The concentration and temperature dependence of the self diffusion coefficient, D, of H in Group V transition metals Nb and Ta has been measured for the α^' phase. The nuclear magnetic resonance spin lattice relaxation time, T₁, was measured in Ta only. A pulsed field gradient, NMR spin echo technique was utilized to measure D. In both systems, the activation energy increases with hydrogen concentration while the pre-exponential factor is not strongly concentration dependent. The diffusion results are compared with published values of the macroscopic diffusion coefficient, $\text{D}{}^1$, obtained from Gorsky effect measurements. Values of the thermodynamic factor [$\text{(}\text{ρ}\text{kT}\text{)(}\text{?μ}\text{(?ρ)}$] are found for selected ρ and T, where μ is the chemical potential and ρ is the density of hydrogen atoms. These values agree with known determinations of the same factor obtained from the Gorsky effect relaxation strengths, but the agreement with results from solubility measurements is less satisfactory. NMR relaxation is partitioned into conduction electron (T^?1_1e) and dipolar (T^?1_1d) relaxation rates. The observed x dependence of ($\text{D}\text{T}{}_{\mathrm{1d}}$) is inconsistent with random occupancy of tetrahedral sites, and it is suggested that a repulsive interaction exists between H atoms on nearest neighbor sites.     

Giant forced volume magnetostriction of Fe-rich iron-cobalt-zirconium amorphous alloys

The forced volume magnetostriction has been measured as a function of composition and temperature in amorphous (Fe_1?xCo_x)₉₀Zr₁₀ alloys. The maximum value of $\text{δω}\text{δH}$ (T = 0 K), equal to 285 × 10^-10 Oe^-1, has been observed for Fe₉₀Zr₁₀ alloys. The effect of pressure on the magnetization σ₀ at T = 0 K was calculated from $\text{δω}\text{δH}$ data. The pressure dependence of the Curie temperature T_c and σ₀ behaves in a similar way as those observed for crystalline NiPd and NiRh alloys.     

Planar dynamic Jahn-Teller effects in nitrocomplexes: A single crystal neutron diffraction study of Cs2PbCu(NO2)6 at 293 K

We report a crystal structure analysis of the room temperature phase of Cs₂PbCu(NO₂)₆. In the space group Fmmm$\text{[}\text{c}\text{a}\text{<}\text{1}\text{(a ≈ b)]}$ the Cu²⁺ ions have a tetragonally compressed octahedral environment of N atoms. The thermal ellipsoids of the nitro-groups in the (001)-plane indicate the presence of a two-dimensionally dynamic Jahn-Teller effect. This result is interpreted in terms of a time-averaged picture of tetragonally elongated octahedra in antiferrodistortive order.     

The half-lives of the first and second excited states in 66Ga

The half-lives of the first and second excited states at 43.9 and 66.3 keV in ⁶⁶Ga were determined by measuring the time dependence of the 43.9 and 22.4 keV γ-transition intensities. The levels in ⁶⁶Ga were populated by the ⁶⁶Za(p, n)⁶⁶Ga and ⁶³Cu(α, n)⁶⁶Ga reactions. The results are T_{$\text{1}\text{2}$}(43.9 keV) = 16(4) ns and T_{$\text{1}\text{2}$}(66.3 keV) = 23(2) ns. A g-factor measurement reported in the literature is reanalysed.     

A recombination model for large-PT reactions

A difficult theoretical problem in large P_T reactions is to reproduce simultaneously the observed single-particle distributions and the distribution of 〈P_out〉² versus X²_E for different values of $\text{s}$ and P^trig_T. The purpose of this letter is to report successful fits to these distribution in a “recombination” model and to present the predictions of the model at $\text{s}\text{=540}\text{GeV}$, corresponding to the CERN PP? collider.     

The differential cross section and polarization quantities in the 4He(d,p)n4He and 2H(α, n)p4He reactions

The differential cross section and the polarization quantities (T₁₁, T₂₀, T₂₁, T₂₂, P_γ') in the deuteron breakup reaction by an α-particle are calculated in the framework of the recently developed three-body model. All values are discussed under the incomplete kinematical condition. All polarization quantities are caused by the difference of the potential between $\text{p}{}_{\mathrm{<mtext>3</mtext><mtext>2</mtext>}}$ and $\text{p}{}_{\mathrm{<mtext>1</mtext><mtext>2</mtext>}}$ waves of the N-α interaction. Results of the calculation are compared with the available measurement of (i) the differential cross section and the deuteron vector analysing power in the ⁴He($\text{d}$, p)n⁴He reaction and (ii) the differential cross section and neutron polarization in the ²H(α, $\text{n}$)p⁴He reaction. The agreement with experiment is very satisfactory in each case. Among the tensor analysing powers of the deuteron the absolute value of T₂₀ is very large. Observables at the FSI peak corresponding to ⁵He_g.s. are discussed systematically in the energy region of 5.4–20 MeV of the incident deuteron in the ⁴He(d, p)n⁴He reaction. Although the differential cross section is not sensitive to the energy of the three-body resonance, the polarization quantities T₁₁, T₂₀, P_γ' are quite sensitive to it.     

Tensor interaction in heavy-ion scattering: (I). The turning-point model

The Heidelberg shape-effect model for heavy-ion tensor interactions is reformulated and generalized using the Hooton-Johnson formulation. The generalized semiclassical model (the turning-point model) predicts that the components of the tensor analysing power $\text{T}{}_{\mathrm{2q}}$ have certain relations with each other for each type of tensor interaction (T_R, T_P and T_L types). The predicted relations between the $\text{T}{}_{\mathrm{2q}}$ are very simple and have a direct connection with the properties of the tensor interaction at the turning point. The model predictions are satisfied in quantum-mechanical calculations for ⁷Li and ²³Na elastic scattering from ⁵⁸Ni in the Fresnel-diffraction energy region. As a consequence of this model, it becomes possible to single out effects from a T_P? or T_L-type tensor interaction in polarized heavy-ion scattering. The presence of a T_P-type tensor interaction is suggested by measured $\text{T}{}_{20}\text{/}\text{T}{}_{22}$ ratios for ⁷Li+⁵⁸Ni scattering. In the turning-point model the three types of tensor operator are not independent, and this is found to be true also in a quantum-mechanical calculation. The model also predicts relations between the components of higher-rank tensor analysing power in the presence of a higher-rank tensor interaction. The rank-3 tensor case is discussed in detail.     

Electric field effects in EPR of the SrTiO3 :Cr5+ Jahn-Teller system

It is shown that a static electric field affects the intensity ratio of the EPR lines of Cr⁵⁺ (d₁) in SrTiO₃ at 77K. The experimental results can be accounted for quantitatively by considering for the ${}^2\text{T}{}_{\mathrm{2g}}$ electronic ground state of Cr⁵⁺ a strong Jahn-Teller interaction with localized ρ_g mode. The degeneracy of the resulting vibronic ground state is lifted appreciably by a macroscopic strain which, as a result of the large electrostrictive coupling in SrTiO₃, is induced at moderate electric field strengths.     

The strong topology on the algebra of polynomials

It is shown that under a quite general condition on the operator T (unbounded, symmetric) and on the domain $\text{D}$ for the representation x → T of the algebra $\text{P}$(x) on $\text{D}$ in $\text{P}$(T) the strongest locally convex topology τ_∞ coincides with the strong topology σ^$\text{D}$.     

Critical slowing down of fluctuations in squaric acid (H2C4O4) at the phase transition observed by 13C spin-lattice relaxation

Spin lattice relaxation T₁ of naturally abundant ¹³C nuclei in squaric acid was measured close to the antiferroelectric-paraelectric phase transition temperature T_c = 373 K. A rapid increase in $\text{1}\text{T}{}_1$ is observed close to T_c coming from above, which follows the power law $\text{1}\text{T}{}_1\text{～ ε}{}^{\mathrm{?1.4}}$ where $\text{ε =}\text{(T ? T}{}_{\mathrm{c}}\text{)}\text{T}{}_{\mathrm{c}}$. This behaviour is explained on the basis of the two-dimensional character of the fluctuations.     

Electrical conductivity in amorphous Si(O or H)-Au films

SiO films obtained by sputtering in an ArO mixture with an oxygen partial pressure less than 3% are similar to a-Si films: the resistivity is proportional to exp (T₀/T)^{$\text{1}\text{4}$} and T₀ increases with oxygen content and decreases with increasing Au concentration (? 3.7 at.%). On the other hand, above an oxygen partial pressure of 5% one obtains insulating amorphous SiO₂ films. Conductivity appears in such films for Au? 13 at.% (? the percolation threshold) and then the resistivity is proportional to exp (T₀/T)^{$\text{1}\text{2}$}. The same behavior is observed when oxygen is replaced by hydrogen.     

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.