Studies in molecular mechanics using spectroscopic data exact force field and bond in homogeneity

This thesis deals with some studies in molecular mechanic using spectroscopic data. It includes an improvement in the parameter technique for the evaluation of exact force fields, the introduction of a new and simple algebraic method for the force field calculation and a study of asymmetric variation of bonding forces along a bond.

Magnetic field effect on quantum corrections to the low-temperature conductivity in mettalic perovskite oxides

The transport and magnetotransport properties of the metallic and ferromagnetic SrRuO3 (SRO) and the metallic and paramagnetic LaNiO3 (LNO) epitaxial thin films have been investigated in fields up to 55 T at temperatures down to 1.8 K . At low temperatures both samples display a well-defined resistivity minimum. We argue that this behavior is due to the increasing relevance of quantum corrections to the conductivity (QCC) as temperature is lowered; this effect being particularly relevant in these oxides due to their short mean free path. However, it is not straightforward to discriminate between contributions of weak localization and renormalization of electron-electron interactions to the QCC through temperature dependence alone. We have taken advantage of the distinct effect of a magnetic field on both mechanisms to demonstrate that in ferromagnetic SRO the weak-localization contribution is suppressed by the large internal field leaving only renormalized electron-electron interactions, whereas in the nonmagnetic LNO thin films the weak-localization term is relevant.

Studies in quantum field theory at finite temperature

The thesis deals with certain quantum field systems exhibiting spontaneous symmetry breaking and their response to temperature. These models find application in diverse branches such as particle physics, solid state physics and non~linear optics. The nature of phase transition that these systems may undergo is also investigated. The thesis contains seven chapters. The first chapter is introductory and gives a brief account of the various phenomena associated with spontaneous symmetry breaking. The chapter closes with anote on the effect of temperature on quantum field systems. In chapter 2, the spontaneous symmetry breaking phenomena are reviewed in more detail. Chapter 3, deals with the formulation of ordinary and generalised sine-Gordon field theories on a lattice and the study of the nature of phase transition occurring in these systems. In chapter 4, the effect of temperature on these models is studied, using the effective potential method. Chapter 5 is a continuation of this study for another model, viz, the m6 model. The nature of phase transition is also studied. Chapters 5 and 6 constitute a report of the investigations on the behaviour of coupling constants under thermal excitation D1 $4 theory, scalar electrodynamics, abelian and non-abelian gauge theories

Quantum decay of metastable states in small magnetic particles

We present an imaginary-time path-integral study of the problem of quantum decay of a metastable state of a uniaxial magnetic particle placed in the magnetic field at an arbitrary angle. Our findings agree with earlier results of Zaslavskii obtained by mapping the spin Hamiltonian onto a particle Hamiltonian. In the limit of low barrier, weak dependence of the decay rate on the angle is found, except for the field which is almost normal to the anisotropy axis, where the rate is sharply peaked, and for the field approaching the parallel orientation, where the rate rapidly goes to zero. This distinct angular dependence, together with the dependence of the rate on the field strength, provides an independent test for macroscopic spin tunneling.

Quantum critical effects in mean-field glassy systems

We consider the effects of quantum fluctuations in mean-field quantum spin-glass models with pairwise interactions. We examine the nature of the quantum glass transition at zero temperature in a transverse field. In models (such as the random orthogonal model) where the classical phase transition is discontinuous an analysis using the static approximation reveals that the transition becomes continuous at zero temperature.

Fluid mechanics-non-linear waves studies on korteweg-de vries equations

In this thesis the author has presented qualitative studies of certain Kdv equations with variable coefficients. The well-known KdV equation is a model for waves propagating on the surface of shallow water of constant depth. This model is considered as fitting into waves reaching the shore. Renewed attempts have led to the derivation of KdV type equations in which the coefficients are not constants. Johnson's equation is one such equation. The researcher has used this model to study the interaction of waves. It has been found that three-wave interaction is possible, there is transfer of energy between the waves and the energy is not conserved during interaction.

Quantum dynamics of crystals of molecular nanomagnets inside a resonant cavity

It is found that crystals of molecular nanomagnets exhibit enhanced magnetic relaxation when placed inside a resonant cavity. A strong dependence of the magnetization curve on the geometry of the cavity has been observed, providing indirect evidence of the coherent microwave radiation by the crystals. A similar dependence has been found for a crystal placed between the Fabry-Perot superconducting mirrors.

Quantum suppression of shot noise in field emitters

We have analyzed the shot noise of electron emission under strong applied electric fields within the Landauer-Bttiker scheme. In contrast to the previous studies of vacuum-tube emitters, we show that in new generation electron emitters, scaled down to the nanometer dimensions, shot noise much smaller than the Schottky noise is observable. Carbon nanotube field emitters are among possible candidates to observe the effect of shot-noise suppression caused by quantum partitioning.

Average ground-state energy of finite Fermi systems

Semiclassical theories such as the Thomas-Fermi and Wigner-Kirkwood methods give a good description of the smooth average part of the total energy of a Fermi gas in some external potential when the chemical potential is varied. However, in systems with a fixed number of particles N, these methods overbind the actual average of the quantum energy as N is varied. We describe a theory that accounts for this effect. Numerical illustrations are discussed for fermions trapped in a harmonic oscillator potential and in a hard-wall cavity, and for self-consistent calculations of atomic nuclei. In the latter case, the influence of deformations on the average behavior of the energy is also considered.

Some conservation laws of fluid mechanics

This thesis contains a study of conservation laws of fluid mechanics. These conservation laws though classical, have been put to extensive studies in t:he past many decades

Fabrication of a quantum well heterostructure based on plasma polymerized aniline and its characterization using STM/STS

Two-dimensional electronic systems play a crucial role in modern electronics and offer a multitude of opportunities to study the fundamental phenomena at low dimensional physics. A quantum well heterostructure based on polyaniline (P) and iodine doped polyaniline (I) thin films were fabricated using radio frequency plasma polymerization on indium tin oxide coated glass plate. Scanning probe microscopy and scanning electron microscopy studies were employed to study the morphology and roughness of the polymer thin films. Local electronic density of states (LDOS) of the P–I–P heterostructures is probed using scanning tunnelling spectroscopy (STS). A step like LDOS is observed in the P–I–P heterostructure and is attributed to the quantum well confinement of electrons in the polymer heterostructure.

Thermo- Optic and Nonlinear-Optical studies on CdSe Quantum Dots for Photonic Applications

In general, linear- optic, thermo- optic and nonlinear- optical studies on CdSe QDs based nano uids and their special applications in solar cells and random lasers have been studied in this thesis. Photo acous- tic and thermal lens studies are the two characterization methods used for thermo- optic studies whereas Z- scan method is used for nonlinear- optical charecterization. In all these cases we have selected CdSe QDs based nano uid as potential photonic material and studied the e ect of metal NPs on its properties. Linear optical studies on these materials have been done using vari- ous characterization methods and photo induced studies is one of them. Thermal lens studies on these materials give information about heat transport properties of these materials and their suitability for applica- tions such as coolant and insulators. Photo acoustic studies shows the e ect of light on the absorption energy levels of the materials. We have also observed that these materials can be used as optical limiters in the eld of nonlinear optics. Special applications of these materials have been studied in the eld of solar cell such as QDSSCs, where CdSe QDs act as the sensitizing materials for light harvesting. Random lasers have many applications in the eld of laser technology, in which CdSe QDs act as scattering media for the gain.

Model calculations on the influence of quantum electrodynamical effects on the chemistry of superheavy elements.

Using a phenomenological model, the influence of quantum electrodynamical effects on the prediction of the chemical behavior of superheavy elements within a relativistic Dirac-Slater calculation was investigated. This influence will be small and nondetectable for elements up to Z = 114. For elements near Z = 164 some changes in the ground state configurations occur but the chemical behavior will not change. Using this heuristic model, it is also possible to calculate elements beyond Z = 175. As an example we have chosen element E184 and are now able to make more valid speculations about the chemical behavior of the element than Penneman and co-workers could.