Study of relaxor-like behaviour of laser ablated (Pb, La)Tio3 thin films

Lanthanum modified lead titanate (PLT) thin films are one of the potential candidates for the pyroelectric and memory applications due to their excellent dielectric, pyroelectric and ferroelectric properties. PLT thin films with 25 at.% of La were deposited on platinum coated Si substrates by the laser ablation technique. The phase transition studies were done in the temperature range of −40 to 150 °C as a function of frequency and ac field. A diffused phase transition with the shifting of the maximum dielectric permittivity (?_max) to higher temperatures with the increase of frequency and dielectric dispersion with frequency at the lower temperatures were observed. The variation of the temperature corresponding to maximum dielectric constant T_m, with frequency follows the Vogel-Fulcher relation, which is the characteristic of the relaxor-like behavior of the material. With the increase of ac drive, the T_max was shifted to lower value.     

Trace cocharacters and the Kronecker products of Schur functions

It follows from the theory of trace identities developed by Procesi and Razmyslov that the trace cocharacters arising from the trace identities of the algebra M_r(F) of r×r matrices over a field F of characteristic zero are given by TC_r,n=∑_λΛr(n)χ^λχ^λ where χ^λχ^λ denotes the Kronecker product of the irreducible characters of the symmetric group associated with the partition λ with itself and Λ_r(n) denotes the set of partitions of n with r or fewer parts, i.e. the set of partitions λ=(λ₁λ_k) with kr. We study the behavior of the sequence of trace cocharacters TC_r,n. In particular, we study the behavior of the coefficient of χ^(ν,n−m) in TC_r,n as a function of n where ν=(ν₁ν_k) is some fixed partition of m and n−mν_k. Our main result shows that such coefficients always grow as a polynomial in n of degree r−1.     

Rhythmic pattern formations in gels and Matalon—Packter law: A fresh perspective

The periodic precipitation pattern formation in gelatinous media is interpreted as a moving boundary problem. The time law, spacing law and width law are revisited on the basis of the new scenario. The explicit dependence of the geometric structure on the initial concentrations of the reactants is derived. Matalon—Packter law, which relates the spacing coefficient with the initial concentrations is reformulated removing many ambiguities and impractical parameters. Experimental results are discussed to establish the significance of moving boundary concept in the diffusion controlled pattern forming systems     

Charge transfer excitons: dynamic theory of vibronic spectra

The vibronic spectra of charge transfer excitons (CTE) in a molecular one-component or alternatingly ordered two-component chain are treated in the framework of a dynamic approach (neglecting thermal excitations of the intramolecular vibrations). The model introduces two mechanisms of coupling between CTEs and vibrational quanta: (1) shift of the equilibrium positions of the nuclei in the ionized donor or acceptor; (2) change of the vibrational frequency in the ionized molecule. This model allows to generalize the simple CTE Hamiltonian and the vibronic Hamiltonian of Frenkel excitons. The linear optical susceptibility is calculated in the vibronic region (one CTE and one vibrational quantum). The double splitting of vibronics of CTEs was analyzed: (1) the splitting connected with the location of the intramolecular vibration on the donors or on the acceptors; (2) the splitting connected with the symmetry of the vibronic spectra (in the degenerate case). The general structure of the vibronic spectra of CTEs is established. It contains structureless absorption lines, which correspond to two-particle bands (the phonon is excited on a neutral molecule neighboring the donor or the acceptor) and Lorentz-type lines of one-particle states, which correspond to the bound propagation of the CTE and the phonon.     

Rotational spectra, conformational structures, and dipole moments of thiodiglycol by jet-cooled FTMW and ab initio calculations

The rotational spectra of three low-energy conformers of thiodiglycol (TDG) (HOCH₂CH₂SCH₂CH₂OH) have been measured in a molecular beam using a pulsed-nozzle Fourier-transform microwave spectrometer. To determine the likely conformational structures with ab initio approach, conformational structures of 2-(ethylthio)ethanol (HOEES) (CH₃CH₂SCH₂CH₂OH) were used as starting points together with the consideration of possible intramolecular hydrogen bonding in TDG. Three lower-energy conformers have been found for TDG at the MP2=Full/6311G** level and ab initio results agree nicely with experimentally determined rotational constants. In addition, Stark measurements were performed for two of the three conformers for dipole moment determinations, adding to our confidence of the conformational structure matches between experimental observations and ab initio calculations. Of the three lower-energy conformers, one displays a compact folded-like structure with strong hydrogen bonding between the two hydroxyl groups and the central sulfide atom. Two other conformers have relatively open chain-like structures with hydrogen bonding between each of the hydroxyl groups to the central sulfur atom, of which one has pure b-type dipole moment according to the ab initio results.