The Jahn-Teller Effect: Fundamentals and Implications for Physics and Chemistry

ISBN-13: 9783662519097 / Angielski / Miękka / 2016 / 915 str.

Horst Kappel;David R Yarkony;Heinz Barentzen

Opis

The Jahn-Teller effect continues to be a paradigm for structural instabilities and molecular dynamical processes. This volume provides a survey of the current Jahn-Teller interactions at the interface of quantum chemistry and condensed matter physics.

Spis treści

Jahn-Teller effect and vibronic interactions: General theory.- Recent Developments in the Jahn#x2013;Teller Effect Theory.- Electronic Degeneracy and Vibrational Degrees of Freedom: The Permutational Proof of the Jahn#x2013;Teller Theorem.- Group-Theoretical Analysis of Jahn#x2013;Teller Systems.- Spin#x2013;Orbit Vibronic Coupling in Jahn#x2013;Teller and Renner Systems.- Vibronic Coupling Constant and Vibronic Coupling Density.- A New Method to Describe the Multimode Jahn#x2013;Teller Effect Using Density Functional Theory.- Conical intersections and nonadiabatic dynamics in molecular processes.- Second-Order Analysis of Conical Intersections: Applications to Photochemistry and Photophysics of Organic Molecules.- Influence of the Geometric Phase and Non-Adiabatic Couplings on the Dynamics of the H+H Molecular System.- Multi-Mode Jahn#x2013;Teller and Pseudo-Jahn#x2013;Teller Effects in Benzenoid Cations.- On the Vibronic Interactions in Aromatic Hydrocarbon Radicals and Radical Cations.- The Jahn#x2013;Teller Effect in Binary Transition Metal Carbonyl Complexes.- Impurities; Spectroscopy of transition metal complexes.- Jahn#x2013;Teller Effect for the 3d Ions (Orbital Triplets in a Cubic Crystal Field).- Constructing, Solving and Applying the Vibronic Hamiltonian.- Instabilities in Doped Materials Driven by Pseudo Jahn#x2013;Teller Mechanisms.- The Influence of Jahn#x2013;Teller Coupling on the High-Spin/Low-Spin Equilibria of Octahedral ML Polyhedra (M : Mn #x2212; Cu), with NiF as the Model Example.- Fullerenes and fullerides.- Following Jahn#x2013;Teller Distortions in Fulleride Salts by Optical Spectroscopy.- Jahn#x2013;Teller Effects in Molecules on Surfaces with Specific Application to C.- Jahn-Teller effect and molecular magnetism.- Jahn#x2013;Teller Effect in Molecular Magnetism: An Overview.- The Effect of Jahn#x2013;Teller Coupling in Hexacyanometalates on the Magnetic Anisotropy in Cyanide-Bridged Single-Molecule Magnets.- The cooperative Jahn-Teller effect and orbital ordering.- Cooperative Jahn#x2013;Teller Effect: Fundamentals, Applications, Prospects.- Orbital Ordering Versus the Traditional Approach in the Cooperative Jahn#x2013;Teller Effect: A Comparative Study.- Frustration Effect in Strongly Correlated Electron Systems with Orbital Degree of Freedom.- Ultrasonic Consequences of the Jahn#x2013;Teller Effect.- Long Range Cooperative and Local Jahn-Teller Effects in Nanocrystalline Transition Metal Thin Films.- Jahn-Teller effect and high-Tc Superconductivity.- Jahn#x2013;Teller Polarons, Bipolarons and Inhomogeneities. A Possible Scenario for Superconductivity in Cuprates.- Polarons and Bipolarons in Jahn#x2013;Teller Crystals.- Vibronic Polarons and Electric Current Generation by a Berry Phase in Cuprate Superconductors.

Blurb

The Jahn-Teller effect continues to be a paradigm for structural instabilities and dynamical processes in molecules and in the condensed phase. Among the many important newer developments in the field one should mention cooperative phenomena in crystals, the general importance of pseudo-Jahn-Teller couplings for symmetry-lowering phenomena in molecular systems, non-adiabatic processes at conical intersections of potential energy surfaces and extensions of the basic theory in relation to the discovery of fullerenes and other icosahedral systems.

Written by leading international experts the aim of the present volume is to provide a survey of the state-of-the art in Jahn-Teller interactions at the interface of quantum chemistry and condensed matter physics, addressing both the non-expert scientist as well as those experts interested in expanding their knowledge into neighboring areas. 

Cast in form of a set of extensive and tutorial reviews – and thus suitable as a complement to available textbooks in the field – the following topics are dealt with in this book:

- Jahn-Teller effect and vibronic interactions: General theory

- Conical intersections and nonadiabatic dynamics in molecular processes

- Impurities; Spectroscopy of transition metal complexes

- Fullerenes and fullerides

- Jahn-Teller effect and molecular magnetism

- The cooperative Jahn-Teller effect and orbital ordering

- Jahn-Teller effect and high-Tc Superconductivity