No Arabic abstract
MnWO4 has attracted attention because of its ferroelectric property induced by frustrated helical spin order. Strong spin-lattice interaction is necessary to explain ferroelectricity associated with this type of magnetic order.We have conducted thermal expansion measurements along the a, b, c axes revealing the existence of strong anisotropic lattice anomalies at T1=7.8 K, the temperature of the magnetic lock-in transition into a commensurate low-temperature (reentrant paraelectric) phase. The effect of hydrostatic pressure up to 1.8 GPa on the FE phase is investigated by measuring the dielectric constant and the FE polarization. The low- temperature commensurate and paraelectric phase is stabilized and the stability range of the ferroelectric phase is diminished under pressure.
The effect of pressure on the thermal expansion of solid CH$_4$ is calculated for the low temperature region where the contributions from phonons and librons can be neglected and only the rotational tunnelling modes are essential. The effect of pressure is shown to increase the magnitude of the peaks of the negative thermal expansion and shifts the positions of the peaks to the low-temperature region, which goes asymptotically to zero temperature with increasing pressure. The Gruneisen thermodynamical parameter for the rotational tunnelling modes is calculated. It is large, negative, and increases in magnitude with rising pressure.
We provide a complete quantitative explanation for the anisotropic thermal expansion of hcp Ti at low temperature. The observed negative thermal expansion along the c-axis is reproduced theoretically by means of a parameter free theory which involves both the electron and phonon contributions to the free energy. The thermal expansion of titanium is calculated and found to be negative along the c-axis for temperatures below $sim$ 170 K, in good agreement with observations. We have identified a saddle-point Van Hove singularity near the Fermi level as the main reason for the anisotropic thermal expansion in $alpha-$titanium.
Thermal expansion in materials can be accurately modeled with careful anharmonic phonon calculations within density functional theory. However, because of interest in controlling thermal expansion and the time consumed evaluating thermal expansion properties of candidate materials, either theoretically or experimentally, an approach to rapidly identifying materials with desirable thermal expansion properties would be of great utility. When the ionic bonding is important in a material, we show that the fraction of crystal volume occupied by ions, (based upon ionic radii), the mean bond coordination, and the deviation of bond coordination are descriptors that correlate with the room-temperature coefficient of thermal expansion for these materials found in widely accessible databases. Correlation is greatly improved by combining these descriptors in a multi-dimensional fit. This fit reinforces the physical interpretation that open space combined with low mean coordination and a variety of local bond coordinations leads to materials with lower coefficients of thermal expansion, materials with single-valued local coordination and less open space have the highest coefficients of thermal expansion.
The thermal expansion at constant pressure of solid CD$_4$ III is calculated for the low temperature region where only the rotational tunneling modes are essential and the effect of phonons and librons can be neglected. It is found that in mK region there is a giant peak of the negative thermal expansion. The height of this peak is comparable or even exceeds the thermal expansion of solid N$_2$, CO, O$_2$ or CH$_4$ in their triple points. It is shown that like in the case of light methane, the effect of pressure is quite unusual: as evidenced from the pressure dependence of the thermodynamic Gr{u}neisen parameter (which is negative and large in the absolute value), solid CD$_4$ becomes increasingly quantum with rising pressure.
We report evidence of the absence of zero thermal expansion in well-characterized high-quality polycrystalline samples of YbGaGe. High-quality samples of YbGaGe were produced from high-purity starting elements and were extensively characterized using x-ray powder diffraction, differential thermal analysis, atomic emission spectroscopy, magnetization, and neutron powder diffraction at various temperatures. Our sample melts congruently at 920 C. A small amount of Yb2O3 was found in our sample, which explains the behavior of the magnetic susceptibility. These observations rule out the scenario of electronic valence driven thermal expansion in YbGaGe. Our studies indicate that the thermal expansion of YbGaGe is comparable to that of Cu.