Specific features in the behavior of the central peak in Raman spectra of lithium tantalate

Low-frequency Raman spectra of a LiTaO₃ ferroelectric crystal are studied in the temperature range 300–1273 K. The central peak associated with the relaxation susceptibility of the crystal lattice is recorded throughout the temperature range covered, including the temperatures both substantially lower and considerably higher than the Curie point (T _c = 900 K). The critical slowing down of the relaxation response time predicted by the Ginzburg-Landau-Devonshire theory is observed in the temperature range from 0.9T _c to 1.1T _c . In contrast to the critical slowing down, the width of the central peak γ_R increases below 0.9T _c and decreases above 1.1T _c with increasing temperature.     

Pressure effect on the anomalous electrical conductivity of magnetite

The temperature dependence of the electrical conductivity of magnetite was measured under hydrostatic pressure up to 18.4 kbar. It is found that the temperature of the conductivity maximum in the high temperature phase is more rapidly reduced by pressure (dT_m/dP = -4.1 K/kbar) than the Verwey temperature (dT_v/dP = -0.27 K/kbar). The discontinuous change of the conductivity at T_v appears to increase with applied pressure as a result of a lowering of T_m.     

BCS-like behaviour in the superconducting state of itinerant antiferromagnetic CrRe alloys

Measurements of the heat capacity and the magnetic susceptibility have revealed BCS-like behaviour in the superconducting state of itinerant antiferromagnetic Cr_1?xRe_x alloys for x = 0.30) and 0.26. The thermodynamic quantities, such as electronic heat capacity and thermodynamic critical field have been reproduced with the BCS theory with the energy gap Δ = (1.76 ± 0.05)k_BT_s, where T_S is the superconducting transition temperature for the corresponding system: T_S = 3.61 K (2.35 K) for x = 0.30 (0.26).     

Dielectric relaxation and magnetic characteristics of the Bi0.5La0.5MnO3 ceramics

The complex permittivity ?* of ceramics of bismuth-lanthanum manganite Bi_0.5La_0.5MnO₃ has been measured in ranges of temperatures T = 10–200 K and frequencies f = 10²–10⁶ Hz. Clearly pronounced regions of the non-Debye dielectric relaxation have been revealed at low temperatures (T < 90 K). To describe them, the possible mechanisms have been proposed and discussed. The temperature dependences of magnetization, the anomalous behavior of which can be associated with the phase transition from the paramagnetic phase into the ferromagnetic phase occurring at T ～ 40–80 K, have been measured in the temperature range T = 10–120 K.     

Electron spin-lattice relaxation in noncommon metals YBa2Cu3Ox and Rb1C60

Using an original modulation technique, the electron spin-lattice relaxation have been investigated in two noncommon metals: YBa₂Cu₃O_x, high-T_c material doped with 1% Gd, and Rb₁C₆₀, linear polymer phase fulleride. In the first case, the Korringa-like temperature dependence of the Gd³⁺ longitudinal relaxation time T₁, is found forx = 6.59 in a wide temperature range 4.2 <T < 200 K, both above and below T_c = 56 K. Atx = 6.95 (T_c = 90 K), the T₁ behavior within 50 <T < 200 K is evidently affected by spin gap opening with the gap value of about 240 K. At 200 K, an unexpected acceleration of the relaxation rate takes place, suggesting some change in the relaxation mechanism. The data are discussed in terms of the Barnes-Plefke theory with allowance made for microscopic separation of the normal and superconducting phases. In Rb₁C₆₀, the evolution of the ESR line and relaxation rates have been studied accurately in the range of the metal-insulator transition (below 50 K). Interpretation is suggested which takes into account breaking down the relaxation bottleneck due to opening of the energy gap near the Fermi surface. The gap value of about 100 cm^?1 is estimated from the analysis of relaxation rates, lineshape and spin susceptibilities.     

The properties of the (H2O)6 water cluster that depend on its density during temperature transitions

Water clusters (H₂O)₆ are simulated by the Monte Carlo method with the Metropolis function at various temperatures (T ₁ = 273 K, T ₂ = 298 K, and T′₁= 373 K) and densities (ρ₁ = 0.9998 g/cm³, ρ₂ = 0.9167 g/cm³, and ρ₃ = 0.00059 g/cm³) of the system. It is established that the number of retained most probable configuration types at ρ₁ = 0.9998 g/cm³ during temperature transitions from T ₁ = 273 K to T ₂ = 298 K and from T′₁ = 373 K to T ₂ = 298 K is smaller than at ρ₃ = 0.00059 g/cm³. This result was acquired on the background of the following invariable parameters of the system with the same temperature transitions for each of three values of density: (i) the average number of retained most probable configuration types, (ii) the average fraction of weight coefficients of the most probable configuration types, and (iii) the average potential energy. The configuration type that was retained among the most probable configuration types of the system for all values of density (ρ₁ = 0.9998 g/cm², ρ₂ = 0.9167 g/cm³, and ρ₃ = 0.00059 g/cm³) of the system for temperature transitions from T ₁ = 273 K to T ₂ = 298 K and from T′₁ = 373 K to T ₂ = 298 K was also revealed.     

Reflexivity and Correlation of Magnetic States of Nanostructures in the Nb(70 nm)/Ni<Subscript>0.65</Subscript>Cu<Subscript>0.35</Subscript>(6.5 nm)/Si Ferromagnet–Superconductor Heterostructure

We have studied the Nb(70 nm)/Ni_0.65Cu_0.35(6.5 nm)/Si layered structure in the temperature range T = 1.5–10 K using polarized neutron reflectometry. The correlation of the states of magnetic structures is observed at temperature T = 9 K, which is slightly higher than the superconducting transition temperature T_c = 8.5 K of the structure. At temperature T = 4 K, which is lower than T_c, the effect of reflexivity of magnetic states existing at T = 9 K was observed.     

Spontaneous generation of the electrical voltage in charge-ordered manganite Pr0.6Ca0.4MnO3

Spontaneous generation of the electrical voltage in a Pr_0.6Ca_0.4MnO₃ single crystal has been found. The charge and orbital ordering in the crystal takes place at T _CO = 240 K, while the antiferromagnetic ordering occurs at T _N = 174 K. As the temperature lowers, spontaneous voltage U increases initially slowly (in the temperature range from 300 K to T _CO) and then more rapidly (in the range T _CO-T _N ). Starting from T _N , the voltage U increases exponentially and, at 85 K, reaches 115 mV (in the ab plane) and 6.5 mV (along the c axis). The magnetic field differently affects the voltage U in different temperature ranges: it decreases the value of U in the temperature range of 85–130 K and increases in the range of 130–240 K. It is assumed that the spontaneous voltage is associated with the existence of ferromagnetic and charge orbital ordered clusters of different topologies in the crystal.     

Calculation of short range magnetic order in iron

A spin fluctuation theory for itinerant electrons that includes short-range magnetic order (SRMO) is used to calculate the Curie-temperature (T_c and the temperature dependence of the magnetization and the susceptibility of bulk Fe. When spin correlations are included the Curie-temperature is reduced by 9% to T_c = 2000 K. The calculated temperature-dependence of the magnetization and the magnetic susceptibility are in excellent agreement with experimental results.     

Specific features of the central peak in the Raman spectra of a lithium niobate crystal

The low-frequency Raman scattering (RS) spectra of a LiNbO₃ ferroelectric crystal are studied in the temperature range 300–1423 K. The central peak characterizing the relaxation susceptibility of the crystal lattice is observed over the entire temperature range studied, including at temperatures much lower than the Curie temperature (T _c = 1470 K). Far from T _c, the characteristics of the central peak are shown to be unlike those expected in the framework of the standard approaches. (i) The central-peak width γ_R increases as the temperature increases to T ～ 1300 K, and the critical slowing down (γ_R ∝ T _c ? T) occurs only above this temperature. (ii) A central peak arises in the RS geometry where the scattering by “nonferroelectric” E phonons is allowed. The experimental results are interpreted with allowance for relaxation dynamics in local regions of the crystal lattice.     

Dielectric response of the relaxor ferroelectric Pb(Mg1/3Nb2/3)O3 in the nonergodic state after a DC electric field is turned off

The Pb(Mg_1/3Nb_2/3)O₃ (PMN) relaxor system is used as an example to analyze the temperature dependences of the low-frequency dielectric permitivity (?′(T)) measured during zero-field heating (ZFH) from T = 10 K to T = 300 K after using different field cooling (FC) conditions. No changes in the temperature dependences of the permittivity have been detected during the transition from a nonergodic relaxor state (NERS) into an ergodic relaxor state (ERS) (at T _f ≈ 216 K). However, the difference Δ?′(T) between the curves corresponding to different field cooling conditions in the same electric field has different shapes and different values below and above T → (T _f + 9 K)^? (for E _dc = 1.52 kV/cm). The reduced permittivities ?′_r(T, f) recorded under different cooling conditions are shown to change their behavior when passing through T = T _f + 9 K. In NERS, these curves diverge: the stronger the field (0 ≤ E _dc ≤ 3 kV/cm), the larger the divergence. In ERS, however, the ?′_r(T, f) curves coincide under different cooling conditions irrespective of the field. The character of the changes in Δ?′(T) and ?′_r (T, f) during the NERS-ERS transition is frequency-independent. The difference in the behavior of the dielectric response during ZFH after cooling in different (ZFC, FC) modes (even in a weak field), for both transition through T _f and cooling down to T = 10 K, indicates different NERSs forming under these conditions. The contribution to ?′(T) from slowly relaxing regions (ω ～ 0.1 mHz), whose polarization is reoriented after the field is turned off, is responsible for the fact that, during the NERS-ERS transition, the ?′_r(T, f) curves coincide at a temperature that is higher than T = T _f.     

Complex competition between ferromagnetism and antiferromagnetism in the CMR manganites Pr1−x Ca x MnO3

The systematic investigation of the magnetic susceptibility of the CMR manganites Pr_1?x Ca _x MnO₃ versus temperature has been performed for 0.25 ≤ x ≤ 0.50. Due to the similar size of calcium and praseodymium, these results show the important role of the mixed valence of manganese upon the complex magnetic behaviour of these compounds. They demonstrate that the appearance of antiferromagnetism coincides with charge ordering, T _N = T _CO varying with x, from 250K for x = 0.50 to 225K for x = 0.35. A strong competition between ferromagnetism and antiferromagnetism is observed for 0.35 ≤ x < temperature (T > 170 K) and going through canted antiferromagnetic or weak ferromagnetic states for intermediate temperatures (70 K < T < 170 K). For 0.25 ≤ x ≤ 0.30, a strong ferromagnetic state is observed for 95 K ≤ T ≤ 150 K, with a transition to a spin glass like state below 95–110 K.     

Synthesis,heating, and melting of stoichiometric glass (CaSiO3·SiO2)

Thermodynamic analysis (TERRA program) of synthesis, heating, and melting of stoichiometric glass CaSiO₃·SiO₂ has been carried out. Chemically pure substances silica and lime are subjected to exothermic reaction with further external heating and melting. Wollastonite is synthesized, the chemical reaction generates heat Q _chr = ?505.3 kJ/kg, and temperature increases T = 820 K. When T _melt = 1812–1814 K, wollastonite melts, and a mixture of liquid wollastonite and condensed silica is formed. At T _melt = 1995–1997 K, silica melts, and stoichiometric glass (CaSiO₃·SiO₂) is formed. Evolutions of temperature and melting of wollastonite and silica have been studied by detailed step-by-step thermodynamic calculation (ΔT = 0.1 K).     

Low-temperature thermal conductivity of terbium-gallium garnet

Thermal conductivity of paramagnetic Tb₃Ga₅O₁₂ (TbGG) terbium-gallium garnet single crystals is investigated at temperatures from 0.4 to 300 K in magnetic fields up to 3.25 T. A minimum is observed in the temperature dependence κ(T) of thermal conductivity at T _min = 0.52 K. This and other singularities on the κ(T) dependence are associated with scattering of phonons from terbium ions. The thermal conductivity at T = 5.1 K strongly depends on the magnetic field direction relative to the crystallographic axes of the crystal. Experimental data are considered using the Debye theory of thermal conductivity taking into account resonance scattering of phonons from Tb³⁺ ions. Analysis of the temperature and field dependences of the thermal conductivity indicates the existence of a strong spin-phonon interaction in TbGG. The low-temperature behavior of the thermal conductivity (field and angular dependences) is mainly determined by resonance scattering of phonons at the first quasi-doublet of the electron spectrum of Tb³⁺ ion.     

Pressure and field dependence of the magnetic transition in GdBa2Cu3O7-x

The influence of hydrostatic pressure and of magnetic field strenght is presented for the low temperature antiferromagnetic ordering temperature (T_N=2.3 K) of GdBa₂Cu₃O_7-x. Data are presented for both superconducting and normal samples, the superconducting sample having a sharp 95 K transition and the oxygen-depleted normal sample being a semiconductor. For both systems the Néel temperatures, extrapolated to zero measuring field, are identical: T_N = (2.33±0.03) K. The effect of pressure is to raise the transition temperature slightly for both samples, dT_N/dP=+0.03 K/kbar for the superconducting sample and +0.04 K/kbar for the normal sample. The temperature dependence of the heat capacity made in several fixed external magnetic fields and the isothermal magnetization for T<T_N provide a measure of the antiferromagnetic-paramagnetic phase boundary, which shows T_N approaching T=0 K at about 2.5 T.     

Metal-nonmetal transition and superconductivity in frozen tin-hydrogen films

We have studied the d.c.-conductivity σ and the superconducting transition temperature T_c in frozen mixtures of Sn and molecular H₂ (Sn-H₂) or atomic H(Sn-H). The samples were prepared by co-deposition of Sn and H₂ (H) onto a sapphire substrate held at a temperature of about 5 K. Both systems show a quite different behaviour. While the Sn-H₂ system exhibits a metal-insulator transition at c_H2 = 0.6 which agrees well with percolation theory, the Sn-H samples show a metal-semiconductor transition already at c_H?0.32. Both systems have an increased T_c in the metallic region. H₂ seems to be mobile in Sn-H₂ films even down to 5 K after annealing of the samples at 10 K. Atomic H, on the other hand, is bound up to T?200 K.     

Mössbauer and magnetization studies of the U1−xNpxO2 fluorites

²³⁷Np Mössbauer effect and magnetic susceptibility measurements of the U_1?Np_xO₂ fluorite solid solution have been performed in the composition range 0.15 ? x ? 0.75. For x = 0.15 and 0.25, the Np ions order magnetically at a lower temperature T₀ than the bulk material (T_N) (T₀ ～ 19 K, T_N ～ 27 K for x = 0.15). For x = 0.50, T₀ ～ 10 K (T_N ～ 12 K from recent neutron diffraction measurements). For x = 0.75, T₀ ～ T_N ～ 9 K. The Np (induced) ordered moment is ～ 0.5 μ_B. The ²³⁷Np Mössbauer isomer shift shows that the Np ions are in a IV charge state.     

Critical slowing down of fluctuations in p-terphenyl and p-quaterphenyl observed by proton spin-lattice relaxation

The temperature evolution of the proton spin-lattice relaxation time T₁ in p-terphenyl and in p-quaterphenyl around their order-disorder phase transition has been measured. In both cases pretransitional collective fluctuations destroy the high temperature Arrhenius behaviour of the relaxation rate corresponding to a single reorientational jump motion. The spin-lattice relaxation times present then a drastic decrease until the transition temperature (T₀ = 193 K in p-terphenyl, T₀ = 238 K in p-quaterphenyl). This decrease is associated to the critical slowing down of fluctuations. In the low temperature phase the ordering phenomena lead to a sharp drop of the spin-lattice relaxation rate.     

Effect of correlation on electronic properties of NiO: A study from dynamical mean field theory

In order to describe a typical strongly correlated insulator NiO at electronic level, we perform a first principles calculation for temperature effect on electronic properties of NiO using a many-body method merging local density approximation (LDA) with dynamical mean field theory, so called the LDA+DMFT scheme. Band gap and density of states (DOS) are in good agreement with available experimental data and theoretical calculations, and Ni d-e_g and d-t_2g components both exhibit insulating character. Calculated hybridization functions indicate that Ni d-e_g states strongly hybrid with O p states at T = 58 K, 116 K, 145 K, 232 K and 464 K. In order to compare with experimental angle-resolved photoemission spectrum (ARPES), we also calculate momentum-resolved electronic spectrum function, which is established that obvious electronic excitation mainly arises from Ni d-t_2g states at temperature T = 232 K, and the spectrum functions between −0.5 eV and 0.0 eV are almost symmetric about certain k points. Finally, we analyze the effect of temperature on electronic properties of NiO by carrying out LDA+DMFT calculations at T = 58 K, 116 K, 145 K, 232 K and 464 K, respectively. Results show that temperature mainly influences the valence states of spectrum function and hybridization function, in particular high-lying states close to Fermi level. Electronic excitation distributions and spectrum characters in electronic spectrum function are also discussed.     

Manifestation of quantum statistics in vibrational dynamics of poly(ethylene) crystals

The temperature dependences of the transverse expansion ?_⊥(T) and the longitudinal contraction ?_‖(T) (with respect to the axes of chain molecules) in large-sized poly(ethylene) (PE) crystal grains (100×60×60 nm) are measured using x-ray diffraction in the temperature range 5–380 K. The temperature dependence of the elongation of the molecular skeleton ?_C(T) is obtained by Raman spectroscopy. It is found that the dependences ?_⊥(T), ?_‖(T), and ?_C(T) exhibit a similar specific nonlinear behavior. Analysis of these dependences indicates that the nonlinearity is associated with the quantum statistics of transverse vibrations. The energies and amplitudes of zero-point (at T=0) transverse (torsional and bending) vibrations and the relevant zero-point components ?_‖(0) and ?_C(0) are estimated. It is revealed that the zero-point components make a considerable contribution to the dynamics of the PE crystal up to the melting temperature (～400 K).