The half-metallic, mechanical, and transport properties of the quaternary Heusler compound of PdZrTiAl is discussed under hydrostatic pressures in the range of –11.4 GPa to 18.4 GPa in the framework of the density functional theory (DFT) and Boltzmann quasi-classical theory using the generalization gradient approximation (GGA). By applying the stress, the band gap in the minor spin increases so that the lowest band is obtained 0.25 eV at the pressure of –11.4 GPa while the maximum gap is calculated 0.9 eV at the pressure of 18.4 GPa. In all positive and negative pressures, the PdZrTiAl composition exhibits a half-metallic behavior 100% spin polarization at the Fermi level. It is also found that applying stress increases the Seebeck coefficient in both spin directions. In the minority spin, the n-type PdZrTiAl, the power factor (PF) for all the cases is greater in the equilibrium state than the strain and stress conditions whereas in the majority spin, the PF value of the stress state is greater than the other two. The non-dimensional figure of merit (ZT) is significant and is about one in spin down in the room temperature for the all pressure states that it remains on this value by applying pressure. The obtained elastic constants indicate that the PdZrTiAl crystalline structure has a mechanical stability. Based on the Yong (E), Bulk (B) and shear (G) modulus and Poisson (n) ratio, the brittle-ductile behavior of this compound has been investigated under pressure. The results indicate that PdZrTiAl has a ductile nature and it is a stiffness compound in which elastic and mechanical instability increases by applying strain.
We have presented dielectric and conductivity studies of two liquid crystal (LC) compounds- p-octyloxybenzoic acid (8OBA) and p-decyloxybenzoic acid (10OBA). Dielectric permittivity study of those compounds gives the evidence of space charge polarization and ionic conductance in the samples. Dielectric permittivity is found to be the highest for 8OBA than 10OBA. Both compounds found to exhibit positive dielectric anisotropy. Splay elastic constant as a function of temperature has also been investigated. Frequency and temperature dependent electrical conductivity of these two LC compounds have been studied in detail. Activation energy has been estimated from both dc and ac conduction process.
In a series of recent papers we have shown how the continuum mechanics can be extended to nano-scale by supplementing the equations of elasticity for the bulk material with the generalised Young-Laplace equations of surface elasticity. This review paper begins with the generalised Young-Laplace equations. It then generalises the classical Eshelby formalism to nano-inhomogeneities; the Eshelby tensor now depends on the size of the inhomogeneity and the location of the material point in it. The generalized Eshelby formalism for nano-inhomogeneities is then used to calculate the strain fields in quantum dot (QD) structures. This is followed by generalisation of the micro-mechanical framework for determining the effective elastic properties of heterogeneous solids containing nano-inhomogeneities. It is shown that the elastic constants of nanochannel-array materials with a large surface area can be made to exceed those of the non-porous matrices through pore surface modification or coating. Finally, the scaling laws governing the properties of nano-structured materials are given.