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K S Krishnan and the early experimental evidences for the Jahn-Teller Theorem  

CERN Document Server

Jahn-Teller theorem, proposed in 1937, predicts a distortional instability for a molecule that has symmetry based degenerate electronic states. In 1939 Krishnan emphasized the importance of this theorem for the arrangement of water molecules around the transition metal or rare earth ions in aqueous solutions and hydrated saltes, in a short and interesting paper published in Nature by pointing out atleast four existing experimental results in support of the theorem. This paper of Krishnan has remained essentially unknown to the practitioners of Jahn-Teller effect, eventhough it pointed to the best experimental results that were available, in the 30's and 40's, in support of Jahn-Teller theorem. Some of the modern day experiments are also in conformity with some specific suggestions of Krishnan.

1998-01-01

2

Topological modeling of the reactive capacity and biological activity of some amino-polysaccharides  

British Library Electronic Table of Contents (United Kingdom)

The work is devoted to a microscopic analysis of the reactive capacity of chitin. An algorithm for modeling the deacetylation reaction in a monomeric unit of chitin is described. The reaction coordinate and the potential energy surface topography are determined taking into account the electron-vibrational interaction and low-symmetry perturbations within Jahn-Teller theory. Based on this algorithm, the topological modeling of the deacetylation process is performed for the first time and a mechanism of the biological activity of chitosan is proposed.

2011-01-01

3

Electron-phonon based local mode descriptions of displacive transformations  

Energy Technology Data Exchange (ETDEWEB)

As a general approach to the problem of precursive behavior in alloys that undergo a displacive transformation, defect theories are becoming increasingly popular. However, the microscopic origin of the proposed defects is usually not considered. Yu and Anderson (1984) have argued that properties of strong-coupling superconductors, such as the A-15 compounds, imply a breakdown of Migdal's theorem (the adiabatic, or Born-Oppenheimer approximation for separation of electrons and phonons) in these systems. The electron-phonon coupling is so strong that it must be incorporated already in zeroth order. This is the basis for local phonon models, in which the electron-phonon coupling provides an effective double well potential for a localized group of atoms. The Yu-Anderson model and an analogous local Jahn-Teller model (Abell, 1983) are reviewed in connection with displacive transformations in strong-coupling alloys.

1986-01-01

4

Algebraic Topology Foundations of Supersymmetry and Symmetry Breaking in Quantum Field Theory and Quantum Gravity: A Review  

CERN Document Server

A novel algebraic topology approach to supersymmetry (SUSY) and symmetry breaking in quantum field and quantum gravity theories is presented with a view to developing a wide range of physical applications. These include: controlled nuclear fusion and other nuclear reaction studies in quantum chromodynamics, nonlinear physics at high energy densities, dynamic Jahn-Teller effects, superfluidity, high temperature superconductors, multiple scattering by molecular systems, molecular or atomic paracrystal structures, nanomaterials, ferromagnetism in glassy materials, spin glasses, quantum phase transitions and supergravity. This approach requires a unified conceptual framework that utilizes extended symmetries and quantum groupoid, algebroid and functorial representations of non-Abelian higher dimensional structures pertinent to quantized spacetime topology and state space geometry of quantum operator algebras. Fourier transforms, generalized Fourier-Stieltjes ...

2009-01-01

5

Electronic instabilities and the martensitic transition in A-15 compounds  

International Nuclear Information System (INIS)

The structural transition and anomalous properties of the high temperature A-15 superconductors have been investigated from two different standpoints. The first is a Landau theory based on Gorkov's physical model of a Peierls-like charge density wave (CDW) transition involving electronic CDW order parameters coupled to phonon coordinates. Pretransition elastic anomalies, softening of the [1 anti 10] transverse ([1 anti 10] polarized) phonon, sublattice distortions, variation of transition temperature with stress and alloying and other effects have been accurately predicted, and a detailed comparison is made with experimental results. Central peaks in neutron scattering are shown to be non-dynamic in nature and no pretransition forbidden (300) reflection is predicted. The GAMMA_1_2 optic mode does not go soft at the transition, though its frequency is expected to be temperature dependent right up to room temperature. A tight binding, two (3-D) band model of the A-15 compounds, using ...