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).     

Heat capacity and lattice dynamics of yttrium diboride in the temperature range 5–300 K

This paper reports an experimental study of the heat capacity and crystal lattice parameters of a polycrystalline sample of yttrium diboride prepared by high-temperature synthesis from elements. The electronic and lattice contributions to the heat capacity are isolated. The temperature dependences of the characteristic temperature, the linear thermal expansion coefficients α_a(T) and α _c (T), the bulk thermal expansion coefficient β(T), and the Grüneisen coefficient are calculated. A region of negative values of α _c (T) and β(T) is revealed. Anharmonicity is found to exert only a minor effect on the YB₂ lattice dynamics over a larger part of the temperature range covered.     

The influence of the metalloid elements on the magnetic properties of amorphous Fe40Ni40PyB20−y

The Curie temperatures (T_C) and the hyperfine interactions of amorphous Fe₄₀Ni₄₀P_yB_20?y(0≤y>≤20) have been determined by ⁵⁷Fe Mössbauer spectroscopy. In this series of amorphous solid with a fixed transition-metal content, the metalloid atoms are shown to have a noticeable effect on T_C, isomer shift and hyperfine field distribution.     

Anomalous low-temperature behavior of the thermal characteristics of MgB<Subscript>2</Subscript>

We have studied the behavior of the thermal expansion coefficient α(T) (in a zero magnetic field and at H≈4 T), the heat capacity C(T), and the thermal conductivity κ(T) of magnesium boride (MgB₂) in the vicinity of T_c and at lower temperatures. It was established that MgB₂, like oxide-based high-temperature superconductors, exhibits a negative thermal expansion coefficient at low temperatures. The anomaly of α(T) in MgB₂ is significantly affected by the magnetic field. It was established that, in addition to the well-known superconducting transition at T_c≈40 K, MgB₂ exhibits an anomalous behavior of both heat capacity and thermal conductivity in the region of T≈10–12 K. The anomalies of C(T) and κ(T) take place in the same temperature interval where the thermal expansion coefficient of MgB₂ becomes negative. The low-temperature anomalies are related to the presence of a second group of charge carriers in MgB₂ and to an increase in the density of the Bose condensate corresponding to these carriers at T_c2≈10–12 K.     

Low-temperature anomalies in the specific heat and thermal conductivity of MgB<Subscript>2</Subscript>

The temperature dependences of the specific heat C(T) and thermal conductivity K(T) of MgB₂ were measured at low temperatures and in the neighborhood of T _c . In addition to the well-known superconducting transition at T _c ≈40 K, this compound was found to exhibit anomalous behavior of both the specific heat and thermal conductivity at lower temperatures, T≈10–12 K. Note that the anomalous behavior of C(T) and K(T) is observed in the same temperature region where MgB₂ was found to undergo negative thermal expansion. All the observed low-temperature anomalies are assigned to the existence in MgB₂ of a second group of carriers and its transition to the superconducting state at T_c2≈10?12 K.     

Long-wavelength magnetic excitations in the Zn0.55Mn0.45Fe2O4 ferrite

The small-angle neutron scattering energy spectra of the Zn_0.55Mn_0.45Fe₂O₄ ferrite are analyzed at different temperatures (both below and above T _C ? 390 K) and scattering angles. The thermal expansion coefficient α(T) is measured in the temperature range 80–600 K. It is revealed that inelastic neutron scattering is governed not only by spin waves of the Holstein-Primakoff type but also by the substantial contribution of additional long-wavelength magnetic excitations. The physical nature of these low-energy magnetic excitations is discussed.     

On the spectral frequency distribution of translational vibrations in a face-centered cubic lattice of the C60 fullerite

The spectral frequency distribution g(ω) of translational lattice vibrations in the face-centered cubic phase of the C₆₀ fullerite at T = 300 K is calculated by the superposition method. The contribution from the translational vibrations to the heat capacity C _V of the C₆₀ fullerite and the x-ray characteristic temperature gJ_R entering into the exponent of the Debye-Waller factor are determined using the calculated frequency distribution g(ω). The results of the calculations are in good agreement with experimental data. It is noted that the librational and intramolecular lattice vibrations observed in the C₆₀ fullerite do not contribute significantly to the temperature-induced decrease in the x-ray diffraction intensity at T = 300 K. The Grüneisen parameters γ_mod calculated from the x-ray diffraction data are consistent with the thermodynamic Grüneisen parameters γ_lat at temperatures T ≤ 80 K but substantially exceed those at T ≈ 300 K. New x-ray diffraction experiments are proposed for independently determining the anomalously large negative values of the parameter γ₀, which is actually an orientational analog of the Grüneisen parameter.     

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.     

Giant magnetocaloric effect near the curie temperature in the Sm0.6Sr0.4MnO3 manganite

A method is proposed for the calculation of the magnetocaloric effect from simultaneous measurements of thermal expansion and magnetostriction made in different regimes (adiabatic and isothermal). The magnitude of the magnetocaloric effect for Sm_0.6Sr_0.4MnO₃ is estimated. It is found that near the Curie temperature T _C it passes through a maximum to reach a giant value ΔT=4.6 K for ΔB=0.84 T. In addition, in the neighborhood of T _C, we observed colossal magnetoresistance Δρ/ρ = [ρ(H) ? ρ(0)]/ρ(0) = 72% in a weak magnetic field of 0.84 T, a giant negative volume magnetostriction ω=?5×10^?4 in a field of the same strength, and a large change in the sample volume ΔV/V ≈ 0.1%.     

On the correlation between thermal expansion coefficient and heat capacity of argon cryocrystals

A detailed analysis of the correlation between the volumetric thermal expansion coefficient o(T) and heat capacity C(T) of a rare-gas (Ar) cryocrystal has been performed. It has been shown that there is a clear correlation dependence o(C) not only in the low-temperature range, where it is linear and known as the Grüneisen law, but also in a significantly wider temperature range (up to the melting point of argon). The dependence o(C) substantially deviates from the low-temperature linear behavior when the heat capacity reaches the classical Dulong-Petit limit of 3R.     

Low-temperature conduction of a system of tunnel-coupled quantum dots in YBaCuO and LaSrMnO dielectric films

This paper reports on new results of experimental investigations into the nature of the electrical resistivity ρ(T) ? const at T<T _crit for YBaCuO and LaSrMnO dielectric films. The films are prepared by pulsed laser deposition and contain nanocrystalline clusters with metallic conductivity. Dependences of the electrical resistivity ρ(T) ? const are observed for the epitaxial films YBaCuO (T _crit=10 K) with a tetragonal structure after exposure to KrF excimer laser radiation and for the as-prepared amorphous films LaSrMnO (T _crit?160 K). The effect of interest (ρ(T) ? const) manifests itself in the case when the optical spectra of the studied samples contain portions attributed to absorption by free charge carriers. The inference is made that this effect can be associated with tunneling conduction in a system of quantum dots.     

Investigation of thermodynamic properties of cerium dioxide by statistical moment method

The thermodynamic properties of the cerium dioxide (CeO₂) are studied using the statistical moment method, including the anharmonicity effects of thermal lattice vibrations. The free energy, linear thermal expansion coefficient, bulk modulus, specific heats at the constant volume and those at the constant pressure, C_V and C_P, are derived in closed analytic forms in terms of the power moments of the atomic displacements. The temperature dependence of the thermodynamic quantities of cerium dioxide is calculated using three different interatomic potentials. The influence of dipole polarization effects on the thermodynamic properties and thermodynamic stability of cerium dioxide have been studied in detail.     

Thermal expansion anomaly of MnB

The thermal expansion of MnB has been measured in the temperature range from 0 to 420°C. An Invar type thermal expansion is observed. The thermal expansion coefficient is ?42×10^-6 deg.^-1 at 295°C(≈T_c).     

Temperature derivatives at constant volume of the elastic constants of the alkali halides

Values of dC/dT)_V have been computed from experimental dC/dT)_P and dC/dP)_T for the three elastic constants (expressed as $\text{B}{}_{\mathrm{T}}\text{, C}{}_{44}\text{and}\text{(C}{}_{11}\text{?C}{}_{12}\text{)}\text{2)}$ of each of the 16 Li, Na, K, and Rb halides. The dC/dT)_V measure the explicit dependence of C on T, the effect of thermal expansion having been removed. The dC/dT)_V are all small (compared with dC/dT)_P), are all negative, and vary quite systematically and smoothly with anion, with cation and with the three elastic constants. Negative dB_T/dT)_V is accounted for both thermodynamically and by available lattice dynamical calculations. dC/dT)_V for shear constant is expressed in terms of two vibrational mode parameters, whose values can then be estimated from the observed value, and the trend of dC/dT)_V with Debye temperature.     

Thermophysical study of structural phase transitions in Na<Subscript>0.95</Subscript>Li<Subscript>0.05</Subscript>NbO<Subscript>3</Subscript> solid solution

Temperature dependences of specific heat C_p(T) and coefficient of thermal expansion ;(T) for Na_0.95Li_0.05NbO₃ sodium-lithium niobate ceramic samples are investigated in the temperature range of 100–800 K. The C_p(T) and α(T) anomalies at T₃ = 310 ± 3 K, T₂ = 630 ± 8 K, and T₁ = 710 ± 10 K are observed, which correspond to the sequence of phase transitions N ? Q ? S(R) ? T2(S). The effect of heat treatment of the samples on the sequence of structural distortions was established. It is demonstrated that annealing of the samples at 603 K leads to splitting of the anomaly corresponding to the phase transition Q → R/S in two anomalies. After sample heating to 800 K, the only anomaly is observed in both the C_p(T) and ;(T) dependence. Possible mechanisms of the observed phenomena are discussed.     

A calorimetric study of the dimerized phase of C60 fullerene

The temperature dependence of the heat capacity at a constant pressure C _p ⁰ = f(T) for the dimerized phase of the C₆₀ fullerene in the temperature range 300–575 K and the thermodynamic characteristics for depolymerization of this phase under normal pressure are investigated using precision differential scanning calorimetry. It is established that thermal depolymerization is a kinetically hindered process. The final products of thermal depolymerization are identified as a partially crystalline monomer face-centered cubic phase of C₆₀ with a degree of crystallinity α = 67 mol %. The results obtained in this study and our previous experimental data on the low-temperature heat capacity are used in the calculations of standard thermodynamic functions for the (C₆₀)₂ crystalline dimer, namely, the heat capacity C _p ⁰ (T), the enthalpy H ⁰(T) ? H ⁰(0), the entropy S ⁰(T), and the Gibbs function G ⁰(T) ? H ⁰(0) in the temperature range from T → 0 to 394 K.     

Size effect of nanostructured formations on scattering of optical phonons in poly(ethylene terephthalate)

The temperature dependence of the half-width of the infrared (IR) absorption band at a frequency of 971.5 cm^?1 in the spectra of poly(ethylene terephthalate) (PET) is investigated for crystallized and amorphous PET samples in which the lengths of trans sequences are approximately equal to 4–7 and 2–3 nm, respectively. The observed increase in the half-width with increasing temperature is explained by inelastic scattering of phonons of stretching vibrations of the macromolecular skeleton by other phonons. The half-width of the band at 971.5 cm^?1 in the IR spectra of the amorphous polymer is approximately 1.5 times larger than that in the spectra of the crystallized polymer. This is associated with the violation of the wave-vector selection rules due to a small length of the trans sequences in the amorphous sample.     

Thermal expansion behaviour and phase stability of AFe<Subscript>2</Subscript>As<Subscript>2</Subscript> (A = Ca,Sr and Eu) using powder diffraction technique

The thermal expansibilities and phase stabilities of AFe ₂As ₂ (A = Ca, Sr and Eu) have been investigated by powder diffraction techniques in the temperature range 5–600 K. We found the anisotropic thermal expansivities with temperature for all the compounds. The lattice parameter in the tetragonal phase ( A_T) of CaFe ₂As ₂ contracts with increasing temperature, whereas C_T expands. The rate of contraction in A_T is lower than the rate of expansion in C_T. Other compounds show normal thermal expansion behaviour along both a- and c-axes. In-plane expansion (i.e., along the a-axis) is found to be the smallest for EuFe ₂As ₂ and the highest for BaFe ₂As ₂. However, the rate of change of thermal expansivities along out-of-plane (i.e., along the c-axis) is higher as we go from Ba, Sr, Eu and Ca, respectively. Above 600 K, we notice the appearance /disappearance of certain reflections which suggest that tetragonal phase is not stable above this temperature for these compounds.     

Sequence of phase transitions in a quasi-one-dimensional β-Na<Subscript>0.33</Subscript>V<Subscript>2</Subscript>O<Subscript>5</Subscript> compound with variable valence

The thermal properties—specific heat, thermal conductivity, and thermal expansion coefficients—of a single crystal of quasi-one-dimensional variable-valence β-Na_0.33V₂O₅ compound were studied. With lowering temperature, it sequentially undergoes the structural (T _S ～ 230 K), charge (T _C ～ 136 K), and magnetic (T _N ～ 22 K) phase transitions. The structural transition at T _S , resulting in the ordering of the Na ions, and the charge ordering at T _C , resulting in the charge redistribution over the positions of V ions, are accompanied by the anomalies in the temperature dependences of all the studied properties. The magnetic ordering at T _N results in the appearance of the canted antiferromagnetic structure and manifests itself only in the anomaly in the temperature dependences of the thermal expansion coefficients.     

Anomalous thermal expansion of high-temperature superconductors Bi2Sr2−x LaxCuO6 at low temperatures

The low-temperature thermal expansion of Bi₂Sr_2?x La_xCuO₆ single crystals with different doping levels is measured. The effect of a magnetic field on the thermal expansion of Bi₂Sr_2?x La_xCuO₆ is studied. Anomalous (negative) thermal expansion whose characteristics depend on the doping level of the sample is revealed at T ≤ 10–20 K. It is found that these characteristics are significantly affected by moderately strong magnetic fields (2–4 T). The experimental results can be interpreted within a model relating the anomalous thermal expansion in high-temperature superconductors at low temperatures and the strong effect of the magnetic field on this expansion to the change in the stabilizing role of the charge-density waves in the oxygen sublattice.