Elastic moduli of single-crystal C60

The matrix of elastic constants of the fcc phase of solid C₆₀ has been determined experimentally from measurements of the the velocity of 5 MHz ultrasound in single-crystal samples with different crystallographic orientations. The following values were obtained for the elastic moduli: C ₁₁=14.9±0.9 GPa, C ₁₂=8.8±1.0 GPa, and C ₄₄=6.6±0.18 GPa. The results are compared with theoretical estimates of the elastic moduli and data obtained in previous measurements of the elastic characteristics of solid C₆₀. Fiz. Tverd. Tela (St. Petersburg) 40, 173–175 (January 1998)     

The temperature dependences of the elastic moduli of solid C60

This paper reports on the determination of the temperature dependences of the complete set of the elastic moduli of solid C₆₀ from sound-velocity measurements made along different crystallographic directions in single-crystal samples within the 100-to 300-K range. Substantial differences in their behavior were revealed, which are accounted for by different relative contributions from relaxation processes to various elastic moduli.     

Relaxation contribution to shear moduli of the low-temperature phase of solid C60

The relaxation contribution of the molecular reorientation in an elastic field of an acoustic wave to the effective shear moduli is calculated in the framework of the phenomenological two-level model of orientational states in the low-temperature phase of solid C₆₀. The polarity of the rotation axis of C₆₀ molecules and the possible existence of orientational domains in the structure of the low-temperature phase are taken into consideration. The estimates obtained are compared with the available experimental data.     

Elastic properties study of single crystal NH3 up to 26 GPa

Single crystal Brillouin and Raman scattering measurements on NH₃ in a diamond anvil cell have been performed under pressures up to 26 GPa at room temperature. The pressure dependencies of acoustic velocity, adiabatic elastic constants, and bulk moduli of ammonia from liquid to solid III and solid IV phase have been determined. All the nine elastic constants in orthorhombic structure phase IV were presented for the first time, each elastic constant grows monotonously with pressure and a crossover of the off‐diagonal moduli C₁₂ and C₁₃ was observed at around 12 GPa because of their different pressure derivative values. We also performed ab initio simulations to calculate the bulk elastic moduli for orthorhombic ammonia, the calculated bulk moduli agree well with experimental results. In Raman spectra the very weak bending modes ν₂ and ν₄ for orthorhombic ammonia are both observed at room temperature, a transition point near 12 GPa is also found from the pressure evolution of the Raman bands. Copyright © 2011 John Wiley & Sons, Ltd.     

Effect of electron and gamma irradiation on elastic characteristics of KTiOPO4 crystals

The elastic moduli C ₁₁ and C ₃₃ of KTiOPO₄ crystals unirradiated and irradiated by electrons and gamma quanta in the temperature range 100–330 K have been measured by the echo-pulse technique. It has been shown that C ₁₁ < C ₃₃ and, with increasing temperature, their values smoothly decrease; moreover, in the temperature range of the second-order phase transition at T ～ 281 K, the curves C ₁₁ = f(T) and C ₃₃ = f(T) exhibit anomalies in the form of a kink. It has been established that, under electron irradiation, the elastic moduli decrease and the phase transition temperature increases. Irradiation of KTiOPO₄ crystals by gamma quanta with a dose of 10⁷ R has no substantial effect on the dynamic characteristics of this crystal.     

Fast-ion channeling in fullerene crystals

The motion of H⁺ and He⁺ ions with energies of 230 and 2000 keV in C₆₀ and K₃C₆₀ crystals was calculated by the Monte Carlo method. Ion channeling was shown to occur in the 〈100〉 and 〈111〉 directions. The main parameters characterizing channeling were determined. Medium-energy ions were found to be preferable in the detection of channeling in C₆₀ films.     

Farbzentren rhombischer und monokliner Symmetrien in NaF

A number of zero-phonon absorption lines ofF aggregate color centers is studied inx-irradiated NaF crystals under uniaxial stress. The color centers associated with the lines are found to exhibit rhombic (D_2h, D₂, C_2v; rotation axes along 〈110〉 and 〈100〉) and monoclinic (C_2h, C₂, C_s; rotation axis along 〈110〉) symmetries. The transitions of the rhombic color centers correspond to 〈100〉 and 〈110〉 dipoles, those of the monoclinic centers to 〈112〉 and 〈110〉 dipoles. The most prominent line at 5803 Å is due to a 〈112〉 dipole transition within a monoclinic color center. Several models of centers are discussed.     

Fluctuation interaction of Ising subsystems

A phase diagram of two Ising subsystems σ and s has been constructed on a Bethe lattice with a coordination number 4 (a simplified analog of a square lattice). In contrast to the known Ashkin-Teller model, the interaction between these two subsystems is of a purely fluctuational nature; i.e., it does not manifest itself in the ground state and nullifies the sums of the products of average spins 〈σ〉〈s〉 (interactions of this type are realized in lattice-type adsorbed systems with dipolelike intermolecular interactions and strong azimuthal angular dependence of the adsorption potential of symmetry C₄). Apart from conventional states, i.e., a high-temperature disordered state (〈σ〉=〈s〉=0) and a low-temperature ordered state (〈σ〉 and 〈s〉 =? 0), this system can also exist in a correlated state (〈σs〉 =? 0 at 〈σ〉=〈s〉=0). In the theory of orientational phase transitions, this state corresponds to a fundamentally different, intermediate (on the temperature axis) phase in which a preferred direction of long molecule axes arises in the absence of spontaneous polarization. The results of Monte Carlo simulation on a square lattice agree with the conclusions obtained on a Bethe lattice. The characteristics of the orientational phase transition in a 2 × 1 monolayer of CO molecules adsorbed on the NaCl(100) surface are discussed.     

Investigation of elastic moduli and constants of zinc-blende Al<Subscript><Emphasis Type="Italic">y</Emphasis></Subscript>Ga<Subscript>1-<Emphasis Type="Italic">y</Emphasis></Subscript>As alloy by statistical moment method

The elastic moduli and elastic constants of the ternary semiconductor alloy Al _y Ga_1-yAs at finite temperature have been investigated using the statistical moment method. The Young, shear, bulk moduli and elastic constants C₁₁, C₁₂, C₄₄ of the zinc-blende Al _y Ga_1?yAs crystal are calculated as functions of Al composition and temperature. Numerical calculations have been performed and compared with those of the experimental and other theoretical results showing the reasonable agreements. Our study shows that elastic moduli and C₁₁, C₁₂ constants of zinc-blende Al _y Ga_1?yAs alloy are decreasing functions of the temperature and Al composition; C₄₄ constant is a decreasing function of the Al composition.     

Elastic properties of cubic relaxor ferroelectrics

Comparative analysis of the elastic properties of PbMg_1/3Nb_2/3O₃ (PMN) and PbMg_1/3Ta_2/3O₃ (PMT) crystals has been performed. The temperature dependences of the elastic moduli C ₁₁, C ₁₂, and C ₄₄ are presented. These curves exhibit anomalies near the Burns temperature for both crystals. Additional anomalies are observed in the vicinity of the suppressed ferroelectric transition (T _C ～ 210 K) in PMN. Nontrivial frequency dispersion of the elastic moduli has been revealed for PMN.     

Study of elastic properties of CeO2 by statistical moment method

The purpose of the present paper is to investigate the temperature and pressure dependences of the elastic properties of cerium dioxide using the statistical moment method (SMM). The equation of states of bulk CeO₂ is derived from the Helmholtz free energy, and the pressure dependences of the elastic moduli like the bulk modulus, B_T, shear modulus, G, Young’s modulus, E, and elastic constants (C11, C12, and C44) are presented taking into account the anharmonicity effects of the thermal lattice vibrations. In the present study, the influence of temperature and pressure on the elastic moduli and elastic constants of CeO₂ has also been studied, using three different interatomic potentials. We compare the results of the present calculations with those of the previous theoretical calculations as well as with the available experiments.     

Magnetic ordering above room temperature in the sigma-phase of Fe66V34

Magnetic properties of four sigma-phase Fe_100−xV_x samples with 34.4?x?55.1 were investigated by Mössbauer spectroscopy and magnetic measurements in the temperature interval 4.2-300 K. Four magnetic quantities, viz. hyperfine field, Curie temperature, magnetic moment and susceptibility, were determined. The sample containing 34.4 at% V was revealed to exhibit the largest values found up to now for the sigma-phase for average hyperfine field, 〈B〉=12.1 T, average magnetic moment per Fe atom, 〈μ〉=0.89 μ_B, and Curie temperature, T_C=315.3 K. The quantities were shown to be strongly correlated with each other. In particular, T_C is linearly correlated with 〈μ〉 with a slope of 406.5 K/μ_B, as well as 〈B〉 is so correlated with 〈μ〉, yielding 14.3 T/μ_B for the hyperfine coupling constant.     

Magnetization anisotropy in the AFM and SDW phases of CeB6

The angular dependences of the magnetization and Hall resistance have been investigated by the method of the sample rotation in the magnetic field in the high-quality single-crystal samples in the paramagnetic and magnetically ordered phases of CeB₆ in the magnetic field up to 60 kOe. It has been shown that, as CeB₆ undergoes the transition from the antiferromagnetic modulated phase to the so-called antiferroquadrupolar phase, the easy-magnetization axis in the [110] plane changes from 〈100〉 to 〈110〉. The magnetic field dependences of the anisotropic component of the magnetization differ radically in these magnetically ordered phases. The analysis provides evidence in favor of the formation of a state with the spin density wave (SDW phase) in the temperature range T _N ≈ 2.3 K < T < T _Q ≈ 3.3 K in CeB₆.     

Acoustic properties of the disordered relaxor ferroelectric PbSc1/2Ta1/2O3

The behavior of acoustic phonons in crystals of a relaxor ferroelectric, namely, the lead scandium tantalate PbSc_1/2Ta_1/2O₃ (PST), is studied in the vicinity of the diffuse phase transition. The behavior of longitudinal and transverse acoustic phonons in a PST single crystal is examined using Brillouin scattering. The phonon subsystem is found to behave anomalously in the vicinity of T = 297 K, which can probably be assigned to the existence of a phase transition. Analysis of the results obtained yields the values of the elastic moduli C₁₁, C₁₂, and C₄₄ for the cubic phase of the crystal over a wide temperature range.     

Temperature dependence of the elastic constants and Debye temperatures of NaCl and KCl single crystals

A pulsed ultrasonic method has been used to measure the temperature dependences of the elastic moduli, the constants C_ik and S_ik , the anisotropy factors, the bulk moduli, and the Poisson ratios over the temperature range 300-120 ° K for NaCl and over the range 300-80 ° K for KCl. The Debye temperatures of these compounds are calculated from the elastic constants extrapolated to 0 ° K.Translated from Izvestiya Vysshikh Uchebnykh Zavedenii Fizika, No. 6, pp. 22–28, June, 1970.     

Low temperature elastic constants and Debye temperature of NbO2

The transit times of ultrasonic waves have been measured in single crystal NbO₂ from 295 K down to 1.5 K for quasilongitudinal and shear waves propagating in the [100] direction and down to 160 K for eight other waves. Values are obtained for the C₄₄ elastic constant and for an elastic constant combination which is approximately equal to C₁₁ for temperatures down to 1.5 K and for C₁₁, C₁₂, C₁₃, C₁₆, C₃₃, and C₆₆ down to 160 K. These results are used to deduce 0 K values for the elastic constants and an elastic Debye temperature of 596 ± 7 K at 1.5 K. The acoustic mode heat capacity calculated from the latter is significantly smaller than the heat capacity measured by Wenger and Keesom at low temperatures. Following Wenger and Keesom, the difference is attributed to phasons (excitations involving the phase modulation of charge density waves). An average velocity is deduced for the phasons.     

Pressure dependence of c-axis elastic parameters of oriented graphite

The elastic c-axis moduli C₃₃ and C₄₄ of compression-annealed pyrolytic graphite and their derivatives with hydrostatic pressure have been measured at room temperature over a pressure range from 1 to 7000 bars (700 MNm^?2) using an ultrasonic pulse-echo technique. The experiments were also made with material irradiated with fast neutrons. The pressure dependence of the c-axis compressibility of these materials was calculated from the experimental data, enabling pressure derivatives of the c-axis moduli to be also expressed as c-axis strain derivatives.     

Elastic and thermal properties of Zr z Nb1 − z C x N y solid solutions

The temperature and concentration dependences of the elastic moduli and the thermal linear expansion coefficient of Zr _z Nb_{1 ? z} C _x N _y solid solutions containing from 3 to 8 at % of structural vacancies in a nonmetallic sublattice have been found. The temperature dependences of the Debye temperature Θ_D(T) have been calculated using the elastic data and the data on the heat capacity. It has been shown, using carbide NbC_0.97 as an example, that the Θ_D(T) dependences found from the elastic properties and the heat capacity coincide in the temperature range ～220–300 K. By analogy with the niobium carbide, the heat capacity C _p (300) of Zr _z Nb_{1 ? z} C _x N _y solid solutions of various compositions is calculated based on the values of Θ_D(300) determined from the elastic properties.     

Fluctuation corrections at first order phase transitions: Application to C60

The temperature dependence of the elastic constants in C₆₀ is quite unusual in the vicinity of the order-disorder phase transition at 260 K, in sharp contrast to simple mean-field calculations. The observed deviations seem to be a combination of dynamical processes, the influence of defects and fluctuation effects. The latter are expected to be important, since the Landau free energy admits a third order term in the order parameter. We develop field theoretic perturbation theory for general models of this type. The formalism is applied to a simple scalar model of C₆₀ and the resulting temperature dependence of elastic constants is discussed.     

Structural and elastic properties of antiperovskites XNBa3 (X=As, Sb) under pressure effect

First-principle calculations of structural, elastic and high pressure properties of antiperovskites XNBa₃ (X=As, Sb) are performed, using the full-potential linear muffin-tin orbital (FP-LMTO) method. The local density approximation (LDA) is used for the exchange-correlation (XC) potential. Results are given for lattice constant, bulk modulus and its pressure derivatives. We have determined the elastic constants C₁₁, C₁₂ and C₄₄ and their pressure dependence. We derived shear moduli, Young's modulus, Poisson's ratio and Lamé's constants for ideal polycrystalline XNBa₃ aggregates. By analyzing the ratio of the bulk to shear moduli, we conclude that XNBa₃ compounds are brittle in nature. We estimated the Debye temperature of XNBa₃ from the average sound velocity. This is the first quantitative theoretical prediction of the elastic properties of AsNBa₃ and SbNBa₃ compounds, and it still awaits experimental confirmation.