Structural,spectroscopic, and thermophysical investigations of the oxyfluorides CsZnMoO3F3 and CsMnMoO3F3 with the pyrochlore structure

The structure, infrared and Raman spectra, heat capacity, and thermal expansion have been investigated. It has been shown that, down to liquid-helium temperatures, the cubic pyrochlore structure of the CsMnMoO₃F₃ and CsZnMoO₃F₃ oxyfluorides remains stable. The influence of cation substitution on individual features of the properties of the oxyfluorides has been analyzed.     

High-temperature heat capacity of CuGeO3 and Cu0.9Yb0.1GeO3

Data on the heat capacity of CuGeO₃ and Cu_0.9Yb_0.1GeO₃ have been obtained in a wide temperature range. Their thermodynamic properties have been calculated from experimental data.     

High temperature heat capacity of the LaSn3 and CeSn3 compounds

The high temperature heat capacities of LaSn₃ compound and CeSn₃ intermediate valence compound have been obtained from enthalpic contents measurements, using the technique of drop calorimetry in the 400–1200 K temperature range.The heat capacity behaviour of CeSn₃ has been compared with that of LaSn₃ and the quantitative difference between the two trends is explained in terms of residual promotional energy of the 4? electron of Ce to the conduction band.     

High-temperature heat capacity of the BiFeO3 multiferroic

Data on the heat capacity of the BiFeO₃ multiferroic have been obtained within a broad temperature interval. Correlation has been established between the composition of the Bi₂O₃-Fe₂O₃ pseudobinary system and the specific heat capacity of the oxide compounds.     

Heat capacity and magnetic susceptibility of ReO3

The specific heat and magnetic susceptibility of the transition metal oxide ReO₃ have been measured. The specific heat results give a Debye temperature Θ_D = 460 ± 10 K and an electronic specific heat coefficient γ = 6.45 ± 0.07 cal/mole K² which are in good agreement with similar measurements on the cubic sodium tungsten bronzes. The magnetic susceptibility and the electronic contribution to the specific heat are within a few percent of the corresponding parameters calculated from the free electron model with one electron per unit cell. Our results show that ReO₃ behaves much like a simple metal. No experimental evidence for narrow d-band effects was observed.     

High-temperature heat capacity of TbFe3(BO3)4

The molar heat capacity of TbFe₃(BO₃)₄ in the temperature range of 346–1041 K has been measured by differential scanning calorimetry. It has been found that the C _p = f(T) curve does not show extremes. The thermodynamic properties of the oxide compound have been determined from the experimental data.     

Dielectric investigations of solid solutions SrTiO3-KTaO3 and SrTiO3-KNbO3

The temperature dependences of the dielectric constant and dielectric hysteresis loops in ceramic samples of (1 ? x)SrTiO_3?x KNbO₃ and (1 ? x)SrTiO_3?x KTaO₃ (0 ≤ x ≤ 0.3) solid solutions prepared using different heat treatments have been investigated. Phase diagrams of the studied solid solutions have been constructed in the T-x coordinates. It has been shown that, after quenching of samples (spontaneous cooling at room temperature after long-term heating at the sintering temperature of the ceramic samples), the temperature of the induced phase transition increases because of the weakening of random electric fields associated with nonisovalent impurities due to their “frozen” nonequilibrium redistribution. For small concentrations x, strong dielectric relaxation is observed in the temperature range of 150–250 K. A model of relaxing centers, which is based on the local charge compensation of heterovalent impurities, has been proposed.     

Low-temperature specific heat of U3P4 and Th3P4. Interpretation of thermodynamic and magnetic properties of U3P4 in a crystal-field model

The heat capacities of U₃P₄ and Th₃P₄ have been measured between 1.6 and 300 K. U₃P₄ was known to be ferromagnetic below 137 K with a complex triaxial magnetic structure and a low value of the ordered moment. The magnetic entropy of ordering and the Schottky contribution to the specific heat deduced from the present thermodynamic data are interpreted in a point-charge model for U⁴⁺ ions in the crystal S₄ point symmetry. This model, together with molecular-field interactions, also gives a satisfactory explanation for the directions and values of the magnetic moments in the ordered phase. The crystal-field (CF) model requires the introduction of screening factors for the CF coefficients. The value found for these factors is consistent with previous calculations and results. The electronic specific heat coefficient for U₃P₄ is in agreement with previous data deduced from dHvA experiments.     

Specific heat and latent heat of KMnF3 ferroelastic crystal

The specific heat and the heat flux exchanged by a single crystal of KMnF₃ have been measured simultaneously while cooling the sample at constant rate of 0·06 K/h through the phase transition at T ₀= 186 K. The phase transition is weakly first order and close to a tricritical point. The temperature dependence at T185 K of the excess specific heat and the excess entropy follow very well the predictions of a Landau potential at a tricritical point.     

Molecular constants of SiH3C ≡ CH and SiD3C ≡ CH

A normal co-ordinate analysis of silylacetylene and silylacetylene-d ₃ has been carried out following Wilson'sF-G matrix method. The potential energy constants obtained therefrom have been used to evaluate rotational distortion constants and mean square amplitudes of vibration for these molecules. Thermodynamic functions, such as heat content, free energy, entropy heat capacity for the ideal gaseous state at one atmosphere pressure and with the usual rigid rotor harmonic oscillator approximation, have also been calculated for 12 temperatures from 100°K to 1000°K.     

Heat capacity of the 0.7PbNi1/3Nb2/3O3-0.3PbTiO3 ferroelectric ceramics

The temperature dependence of the heat capacity of the 0.7PbNi_1/3Nb_2/3O₃-0.3PbTiO₃ compound has been studied in the temperature range 120?C800 K. The temperature dependence of the heat capacity C _p has two diffuse anomalies in the temperature ranges 250?C450 K and 450?C650 K and a ?? anomaly at temperatures T ?? 225 K. The results are discussed with inclusion of the dielectric and structural data.     

The effects of composition and atomic ordering on superconductivity in the systems Nb3Ga and V3Ga

The strongly different variation of the superconducting transition temperature, T_c, observed from the A15 type compounds V₃Ga and Nb₃Ga as a function of the heat treatment has been correlated with the precise shapes of their corresponding phase fields at the vicinity of the stoichiometric composition. The change in T_c for V₃Ga is related to LRO effects only, while combined compositional and LRO effects are present in the case of Nb₃Ga. These two contributions, which have been separated in the present work, determine the behavior of all high T_c superconductors of the A15 phase.     

High-temperature heat capacity of oxides in the Bi 2 O 3 -SiO 2 and Bi 2 O 3 -GeO 2 systems

Experimental data on the heat capacity of the Bi₂SiO₅ oxide compound and eutectic compositions 75 mol % Bi₂O₃ + 25 mol % SiO₂ and 65 mol % Bi₂O₃ + 35 mol % GeO₂ have been obtained for a wide temperature range.     

Specific heat,susceptibility and high-field magnetisation experiments on heavy fermion UPt3 alloyed with Pd

Specific heat, susceptibility and high-field magnetisation experiments have been performed on a number of pseudobinary U(Pt_1−xPd_x)₃ compounds with x⩽0.30. For low Pd concentrations (x⩽0.10) the spin-fluctuation contribution to the specific heat is enhanced with respect to pure UPt₃. For x⩾0.15 the spin-fluctuation phenomena are lost. On alloying, the anomalies present for UPt₃ in the susceptibility at 17 K and in the high-field magnetisation at 21 T (at 4.2 K), shift towards lower temperatures and fields, respectively, and have not been observed in a compound with x=0.15. Superconductivity has not been found down to 40 mK in a U(Pt_0.995Pd_0.005)₃ sample.     

Magnetization,magnetoelectric polarization,and specific heat of HoGa3(BO3)4

A comprehensive experimental and theoretical study of magnetic, magnetoelectric, thermal, and spectroscopic characteristics of HoGa₃(BO₃)₄ gallium borate single crystals has been performed. A large magnetoelectric effect exceeding its values found in all iron and aluminum borates except HoAl₃(BO₃)₄ has been observed. The magnetoelectric polarization of HoGa₃(BO₃)₄ equals ΔP _ba (B _a ) ≈ ?1020 μC/m² at T = 5 K in a magnetic field of 9 T. The theoretical treatment based on the crystal field model for rare-earth ions provides a unified approach for the consistent interpretation of all measured characteristics. The crystal-field parameters are determined. The temperature (in the 3–300 K range) and magnetic field (up to 9 T) dependences of the magnetization, the Schottky anomaly in the temperature dependence of the specific heat, and its shift in the field B ‖ c are described. To compare the thermal properties of HoGa₃(BO₃)₄ with those of HoAl₃(BO₃)₄ exhibiting record values of the polarization, the specific heat of HoAl₃(BO₃)₄ at various B values and the temperature dependence of the polarization ΔP _b (T) in the applied magnetic field of 9 T have been measured.     

Magnetic Anisotropy and Hidden Martensitic Transition in V3Si

Magnetization, electrical resistivity and heat capacity have been measured on a single crystal V₃Si in the range of (2-25) K and in magnetic field up to 14 T. A different behavior of magnetization for two orientations of the crystal has been found. In one orientation the magnetization displays a clear ferromagnetic character and below T _c coexistence of ferro-magnetism and superconductivity with a peak-effect in the vicinity of upper critical field H _c2. The specific heat measurements show sharp lambda anomaly corresponding to a transition to superconductive state and an additional anomaly around 15 K when applied field suppresses the superconductivity below this temperature.     

Investigations of structural,electronic, mechanical and lattice dynamic properties of TiRu3 and TiOs3 compounds

Ab initio calculations of structural, electronic, elastic, and phonon properties of TiRu₃ and TiOs₃ compounds have been studied using the density functional theory (DFT) within the generalized gradient approximation (GGA). The basic structural properties such as lattice constants, bulk modulus and pressure derivative of bulk modulus of these compounds were studied and compared with the previous theoretical data. Electronic band structures and partial densities of states for TiRu₃ and TiOs₃ compounds were computed and analyzed. The electronic band calculations showed that the TiRu₃ and TiOs₃ compounds have metallic nature. Phonon spectra, their total and projected densities of states for these compounds were computed by using a linear-response method in the framework of the density functional perturbation theory. The specific heat capacities at a constant volume C_V and Debye temperature of TiCr₃ and TiOs₃ compounds were also calculated and discussed.     

Magnetocaloric effect and magnetic properties in YMnO3 perovskite

The magnetic properties and magnetocaloric effect in YMnO₃ have been investigated using Monte Carlo simulations. The thermal magnetization, specific heat and magnetic entropy have been obtained for different values of exchange interactions and for a several external magnetic field values. The variation of adiabatic temperature change with the temperatures has been obtained for several values of external magnetic field. It has been found that the sample exhibited a paramagnetic to ferromagnetic phase transition at 30 K. The transition temperature of YMnO₃ has been deduced for different values of size (1/L) and different values of exchange interactions. The relative cooling power with several values of external magnetic field has been established.     

High electronic specific heat of some cubic UX3 intermetallic compounds

The low temperature specific heat of cubic UX₃ intermetallic compounds with X = Al, Ga, In, Si, Ge and Sn have been measured. High values for the coefficient of the electronic specific heat have been found, ranging from 14 to 169 mJ/mol K².     

Studies of the heat capacity and thermal expansion of the Na0.95K0.05NbO3 solid solution

The heat capacity and thermal expansion of ceramic samples of the Na_0.95K_0.05NbO₃ solid solution have been investigated over a wide temperature range of 100–750 K. The observed anomalies in the heat capacity and thermal expansion at T ₄ = 297 K, T ₃ = 535 K, T ₂ = 665 K, and T ₁ ≈ 710 K correspond to the sequences of phase transitions N → Q → G → S → T1. It has been shown that, as a result of the phase transitions, the unit cell volume at T ₄ and T ₂ decreases, and at T ₃ and T ₁, increases with increasing temperature. The directions of the shift of the phase transition temperatures induced by hydrostatic pressure have been determined. It has been established that all structural transformations are accompanied by relatively small variations in the entropy. Different mechanisms of the structural distortions have been discussed.