Thermodynamic properties of the CeSn3 mixed valence compound

We have measured on the CeSn₃ compound, the expansion coefficient between 80 and 800 K at normal pressure, the isothermal compressibility in the 0–8 GPa pressure range at room temperature and the heat capacity at constant pressure in the 60–300 K temperature range. The experimental data were compared with those previously found for the isomorphous LaSn₃ phase, assumed as a proper reference material for the study of the intermediate valency states in CeSn₃. Both the thermal expansion (3α) and the isothermal compressibility (k) of CeSn₃ show behaviours quite different from those of LaSn₃: for instance, in the standard conditions, 3α is 55 × 10^?6K^?1for CeSn₃ and 38 × 10^?6K^?1for LaSn₃; k is 15 × 10^?12 Pa^?1 and 12 × 10^?12 Pa^?1 respectively for CeSn₃ and LaSn₃. The thermal behaviour of the molar specific heat at constant pressure of CeSn₃ is similar to that of LaSn₃ for temperatures lower than 50 K. In the 70–300 K temperature range, the heat capacity of CeSn₃ is clearly higher than that of LaSn₃, ΔC_p being maximum near 150 K. The analysis of the calorimetric data show that the electronic coefficient γ of CeSn₃ is temperature dependent: its value varies from 53 mJ K^?2 mole^?1 at low temperature 24 mJ K^?2 mole^?1 at 300 K.     

Heat capacity, root-mean-square displacements of atoms and thermal expansion coefficient of europium hexaboride

The temperature dependences of the specific heat capacity c _p(T), thermal expansion coefficient α(T) of europium hexaboride, and root-mean-square displacements of Eu and B atoms are determined in the temperature range from helium to room temperature (5–300 K).     

The Debye temperature and Grüneisen parameter of the CaLa<Subscript>2</Subscript>S<Subscript>4</Subscript>-La<Subscript>2</Subscript>S<Subscript>3</Subscript> system

The thermal expansion coefficient of solid solutions in the CaLa₂S₄-La₂S₃ system at a temperature of 300 K is investigated experimentally. The Debye temperature, the Grüneisen parameter, and the isothermal compressibility coefficient of solid solutions in the system under investigation are determined from the experimental thermal expansion coefficient. It is demonstrated that, upon substitution of calcium ions for cation vacancies in La₂S₃, the Debye temperature decreases, the isothermal compressibility coefficient increases, and the Grüneisen parameter remains constant for all compositions in the CaLa₂S₄-La₂S₃ system. A correlation between the ionic radii of Ca²⁺ and La³⁺, the concentration of cation vacancies, and the rigidity of the lattice, on the one hand, and the Debye temperature, the Grüneisen parameter, and the isothermal compressibility coefficient, on the other, is revealed for the studied samples.     

Specific heat and velocity of sound in a moderate heavy-fermion compound YbZnCu4

The specific heat at a constant pressure (C _p) and the velocity of sound (v) are measured for a moderate heavy-fermion compound YbZnCu₄ in the temperature range 3.5–250 K and at 77 K, respectively. The experimental values of C _p and v obtained in this study and the phonon thermal conductivity previously measured in the temperature range 5–300 K are used to calculate the phonon mean free path l for this compound. The temperature dependence of the phonon mean free path l thus determined is characteristic of classical amorphous materials.     

Thermodynamic and kinetic properties of an icosahedral quasicrystalline phase in the Al-Pd-Tc system

The properties of a quasicrystalline phase in the Al-Pd-Tc system are studied for the first time. X-ray investigations demonstrate that the quasicrystalline phase in the Al₇₀Pd₂₁Tc₉ alloy has a face-centered icosahedral quasi-lattice with parameter a=6.514 ?. Annealing experiments have revealed that this icosahedral phase is thermodynamically stable. The heat capacity of an Al₇₀Pd₂₁Tc₉ sample is measured in the temperature range 3–30 K. The electrical resistivity and magnetic susceptibility are determined in the temperature range 2–300 K. The electrical resistivity is found to be high (600 μΩ cm at room temperature), which is typical of quasicrystals. The temperature coefficient of electrical resistivity is small and positive at temperatures above 50 K and negative at temperatures below 50 K. The magnetic susceptibility has a weakly paramagnetic character. The coefficient of linear contribution to heat capacity (γ=0.24 mJ/(g-atom K²)) and the Debye characteristic temperature (Θ=410 K) are determined. The origin of the specific features in the vibrational spectrum of the quasicrystals is discussed. __________ Translated from Fizika Tverdogo Tela, Vol. 42, No. 12, 2000, pp. 2113–2119. Original Russian Text Copyright ? 2000 by Mikheeva, Panova, Teplov, Khlopkin, Chernoplekov, Shikov.     

Heat capacity of LuZnCu<Subscript>4</Subscript>

The heat capacity at constant pressure C _p for LuZnCu₄ is measured in the temperature 3–250 K. The parameter γ, i.e., the coefficient of the linear-in-temperature term of the electronic component of heat capacity, is determined. The contribution of the magnetic component of the heat capacity to C _p(T) of YbZnCu₄ is estimated from the available data on the heat capacity of YbZnCu₄ and the experimental data obtained for LuZnCu₄.     

Heat capacity of EuMnO3 and Eu0.7A0.3MnO3 (A=Ca,Sr) compounds

We carried out the heat capacity calculation of the magnetoresistance compounds EuMnO₃ and Eu_0.7A_0.3MnO₃ (where A=Ca and Sr) as a function of temperature from 5 to 100 K, using the Rigid Ion Model (RIM). The results on heat capacity for EuMnO₃ and Eu_0.7A_0.3MnO₃ (A=Ca and Sr) obtained by us are in good agreement with the measured values. Although strong electron–phonon interactions are present in these compounds but the lattice part of the specific heat also deserves proper attention. The parent compound EuMnO₃ exhibits two magnetic transitions at 35 and 47 K due to weak ferromagnetic (FM) component and antiferromagnetic (AF) ordering. In addition, we have reported cohesive energy (φ), molecular force constant (f), compressibility (β), Restrahalen frequency (υ₀), Debye temperature (θ_D) and Gruneisen parameter (γ) in the temperature range 5 K?T?100 K.     

Specific Heat and Thermal Expansion of Triglycine Sulfate–Porous Glass Nanocomposites

The effect of restricted geometry on specific heat capacity and thermal expansion of the triglycine sulfate (TGS)–borosilicate glass composites have been studied first. A decrease in the entropy and temperature of the P2₁ ? P2₁/m phase transition in the TGS component with decreasing the glass matrix pore diameter at the invariable specific heat and thermal expansion coefficient has been observed. The estimates are indicative of the minor effect of internal pressure on the TGS pressure coefficient dT_C/dp in the composites.     

Experimental study of the magnetic phase transition in the MnSi itinerant helimagnet

Magnetic susceptibility, heat capacity, thermal expansion, and resistivity of a high-quality single crystal of MnSi were carefully studied at ambient pressure. The calculated change in magnetic entropy in the temperature range 0–30 K is less than 0.1R, a low value that emphasizes the itinerant nature of magnetism in MnSi. A linear temperature term dominates the behavior of the thermal expansion coefficient in the range 30–150 K, which correlates to a large enhancement of the linear electronic term in the heat capacity. A surprising similarity between variation of the heat capacity, the thermal expansion coefficient, and the temperature derivative of resistivity through the phase transition in MnSi is observed. Specific forms of the heat capacity, thermal expansion coefficient, and temperature derivative of resistivity at the phase transition to a helical magnetic state near 29 K are interpreted as a combination of sharp first-order features and broad peaks or shallow valleys of yet unknown origin. The appearance of these broad satellites probably hints at a frustrated magnetic state in MnSi slightly above the transition temperature. Present experimental findings bring the current views on the phase diagram of MnSi into question. The text was submitted by the authors in English.     

Specific heat and magnetic susceptibility of MnF2 and Mn0.98Fe0.02F2 near TN

The antiferro- to paramagnetic phase transition of the weakly anisotropic compound MnF₂ has been studied by means of heat capacity, magnetic susceptibility and thermal expansion measurements. The critical-point parameters associated with the specific heat indicate a transition according to the theoretical Ising-model. The temperature derivative of the parallel magnetic susceptibility times temperature (d(χ∥T)/dT) and the c-axis thermal expansion coefficient show a critical behaviour very similar to that of the specific heat. The influence of iron doping on the critical behaviour has been investigated by studies on Mn_0.98Fe_0.02F₂. Specific heat and magnetic susceptibility measurements show an unexpectedly sharp transition although some rounding off is noticed as compared to pure MnF₂.     

Molecular dynamics simulation of P-V-T relationship of ZnO with rock-salt structure using pair-wise interactions

Molecular dynamics (MD) method is used to investigate the behavior of the pressure-volume-temperature (P-V-T) relationship, lattice constant and thermal expansivity for ZnO with rock-salt structure at high pressures and temperatures. The interionic potential is taken to be the sum of pair-wise additive Coulomb, van der Waals attraction, and repulsive interactions. The isothermal and isobaric properties are discussed from the corresponding P-V-T relationship, and it is shown that the MD simulation is successful in reproducing the measured volumes of ZnO over a wide range of temperature and pressure. Meanwhile, the equations of state parameters including lattice constant, linear thermal expansion coefficient, and isothermal bulk modulus are calculated and compared with the available experimental data and the latest theoretical results. At an extended pressure and temperature range, P-V-T relationship, lattice constant, and linear thermal expansion coefficient have been predicted. The structural and thermodynamic properties of ZnO with rock-salt structure are summarized in the pressure 0-100 GPa ranges and the temperature up to 3100 K.     

Thermal conductivity and heat capacity of LuMgCu<Subscript>4</Subscript>

This paper reports on the measurements of the thermal conductivity κ and electrical resistivity ρ in the temperature range 5–300 K and the heat capacity at constant pressure C _p in the range 80–300 K for the metallic nonmagnetic compound LuMgCu₄. The experimental values of κ and C _p for the LuMgCu₄ compound are compared with the corresponding data available in the literature for the light heavy-fermion compound YbMgCu₄. It is shown that, in the low-temperature range (5–20 K), the phonon thermal conductivity κ_ph of YbMgCu₄ is lower than κ_ph of LuMgCu₄ as a result of phonon scattering from magnetic moment fluctuations of the Yb 4f electrons and, conversely, the heat capacity of LuMgCu₄ in the range 80–300 K is lower than that of YbMgCu₄ because the heat capacity of the latter compound has an additional magnetic component.     

Calorimetric investigation of electronic and lattice excitations of the icosahedral quasicrystal in the range of moderate temperatures

The precise measurements of the specific heat and the linear expansion coefficient of polygrain samples of the ordered icosahedral phase Al₆₃Cu₂₅Fe₁₂ have been performed in the temperature range 1.8–400.0 K. The deviations from the Grüneisen law, according to which the temperature dependences of the lattice specific heat at constant volume and the linear expansion coefficient are identical to each other, have been analyzed. The proofs that the specific heat of the quasicrystals contains latent electronic and lattice contributions of the Schottky type have been obtained. The revealed contributions can be thermodynamic consequences of the fractal energy spectra.     

Heat capacity and entropy of two electrons quantum dot in a magnetic field with parabolic interaction

The thermodynamic properties of two electrons in two dimensional parabolic GaAs quantum dot are studied where both the magnetic field and the e–e interaction are fully considered. The e–e interaction has been treated by a model potential which makes the Hamiltonian exactly solvable. The energy spectrum is used to calculate the canonical partition function, and then we obtain the thermodynamic properties; mean energy, heat capacity and entropy as a function of temperature (T) and magnetic field (B).A steep transition from zero to 4k_B is observed in the heat capacity as a function of temperature for small values of magnetic field and saturates within a small temperature range, also the heat capacity has a peak-like structure at low temperature, while for high magnetic field heat capacity develops a shoulder at 2k_B then it approaches the saturation value with further increase in temperature. The entropy increases with increasing temperature, but at higher temperature, it remains almost independent of the magnetic field. It is shown that, at low magnetic field values, the effect of magnetic field on heat capacity is tangible and it attains a constant value with further increase in magnetic field. Entropy is almost linearly proportional with increasing magnetic field strength.     

Thermoelastic properties of deuterated melamine,C3N6D6, between 4.2–320 K at 5 kPa and between 0.1–5.0 GPa at 295 K from neutron powder diffraction and DFT calculations

We have determined the lattice parameters of perdeuterated melamine, C₃N₆D₆, as a function of temperature (4.2–320?K) close to atmospheric pressure and as a function of pressure (0–5?GPa) at room temperature, using time-of-flight neutron powder diffraction methods. Our observations confirm that the ambient-pressure P2₁/a structure persists throughout this range of P and T. Both the thermal expansion and the compressibility are highly anisotropic; the principal directions of greatest thermal expansion and greatest compressibility are roughly perpendicular to the corrugated sheets of H-bonded melamine molecules that form the main structural motif. Complementary ab initio calculations (van der Waals corrected Density Functional Theory) provide an estimate of how the inter- and intra-molecular geometry may alter as a function pressure in the athermal limit.     

Thermodynamic behavior of a water model with a liquid-liquid critical point

In this paper we calculate the constant pressure specific heat response of a water model with a liquid-liquid critical point. We show how, due to the existence of the critical point, there is a secondary maximum in the specific heat at some temperature T_*>T_h for any pressure P>P_c, being T_h the first order transition temperature between the high and the low density liquid phases and P_c the pressure of the critical point. This secondary maximum does not correspond to any long range correlated phase transition and does not show up in the temperature dependence of the isothermal compressibility.     

Characteristics of the thermodynamic and kinetic properties of NbH0.83 in the phase transition region

Measurements were made of the specific heat (in the temperature range 80–400 K), electrical resistivity (4.2–300 K), thermo-emf (4.2–300 K), thermal conductivity (7–300 K), magnetic susceptibility (4.2–400 K), and lattice parameters (30–300 K) of the alloy NbH_0.83. The λ′→λβ phase transitions were studied. It was established that the structure of the niobium matrix of the hydride remains unchanged as a result of these transitions. It is shown that the β→λ phase transition (one-dimensional hydrogen ordering) is a three-stage one and is accompanied by a substantial change in the shear modulus of the hydride. The λ′ phase existing at T<110 K was determined. The electron thermal conductivity κ_el calculated for the λ′ phase in the range T<23 K is 25% higher than the measured thermal conductivity. In order to explain this fact and also the discontinuity in the concentration dependence of the coefficient of thermal expansion of NbHx for x?0.83–0.84 and the approximately 1.5% compression of the NbH_0.84 volume it is assumed that in the region of x _c in the λ′ phase the topology of the Fermi surface of the NbH_x interstitial alloy changes substantially.     

Specific heat of YBa2Cu3O7−x from 4.2 to 60 K

The specific heat of superconducting oxide compound, YBa₂Cu₃O_{7 ?x} , is studied using a quasi-adiabatic calorimeter from 4.2 to 60 K. The analysis of the specific heat data below 15 K gives a value of 17 mJ/mole K² for the electronic heat capacity coefficient. The value ofθ _D(0) is determined to be 397±8 K. The variation ofθ _D with temperature was calculated in the temperature range 4.2 to 60 K.     

Effect of A-site cation radius on thermodynamic properties of ARuO3 (A = Ca, Sr, and Ba)

The thermodynamic properties of alkaline earth ruthenate ARuO₃ (A?=?Ca, Sr, and Ba) perovskites have been investigated for the first time by means of a modified rigid ion model at temperature 1 K?≤?T?≤?300 K. As strong electron–phonon interactions are present in these compounds, the lattice contribution to the specific heat deserves proper attention. The values of specific heat calculated by us have shown remarkably good agreement with corresponding experimental data. We have found that in ARuO₃ (A?=?Ca, Sr, and Ba) ruthenate family, Debye temperature increases inversely with the ionic radius of the alkaline earth A cations. In addition, the results on the temperature dependence of thermal expansion coefficient (α), cohesive energy (?), molecular force constant (f), Reststrahlen frequency (υ), Debye temperature (θ _D), and Grüneisen parameter (γ) are also reported.     

Thermal expansion of (Sr<Subscript>1−<Emphasis Type="Italic">x</Emphasis></Subscript>La<Subscript>x</Subscript>)<Subscript>3</Subscript>Ru<Subscript>2</Subscript>O<Subscript>7</Subscript> single crystals at low temperatures

For single-crystal samples of the (Sr_1?xLa_x)₃Ru₂O₇ ruthenates, the temperature dependence of the thermal expansion coefficient α(T)) is measured in the range 4.2–80 K. The effect of magnetic fields H ≤ 3.5 T on thermal expansion is analyzed. It is found that the (Sr_1?xLa_x)₃Ru₂O₇ ruthenates exhibit an anomalous (negative) thermal expansion coefficient in the temperature range T ≤ 18 K. The position and width of the anomaly revealed in the temperature dependence of the thermal expansion coefficient α(T)) depend substantially on the magnetic field. The origin of the thermal expansion anomaly in ruthenates, the correlation of this anomaly with the stability of the crystal lattice, and the common nature of the anomalies in the thermal properties of ruthenates and high-temperature superconductors are discussed.