Jahn–Teller effect

About: Jahn–Teller effect is a research topic. Over the lifetime, 3892 publications have been published within this topic receiving 77513 citations. The topic is also known as: Jahn-Teller effect.

Stability of Polyatomic Molecules in Degenerate Electronic States. I. Orbital Degeneracy

Abstract: In a previous paper (Jahn and Teller 1937) the following theorem was established: A configuration of a polyatomic molecule for an electronic state having orbital degeneracy cannot be stable with respect to all displacements of the nuclei unless in the original configuration the nuclei all lie on a straight line. The proof given of this theorem took no account of the electronic spin, and in the present paper the justification of this is investigated. An extension of the theorem to cover additional degeneracy arising from the spin is established, which shows that if the total electronic state of orbital and spin motion is degenerate, then a non-linear configuration of the molecule will be unstable unless the degeneracy is the special twofold one (discussed by Kramers 1930) which can occur only when the molecule contains an odd number of electrons. The additional instability caused by the spin degeneracy alone, however, is shown to be very small and its effect for all practical purposes negligible. The possibility of spin forces stabilizing a non-linear configuration which is unstable owing to orbital degeneracy is also investigated, and it is shown that this is not possible except perhaps for molecules containing heavy atoms for which the spin forces are large. Thus whilst a symmetrical nuclear configuration in a degenerate orbital state might under exceptional circumstances be rendered stable by spin forces, it is not possible for the spin-orbit interaction to cause instability of an orbitally stable state. 1—General theorem for molecules with spin Just as before we must see how the symmetry of the molecular framework determines whether the energy of a degenerate electronic state with spin depends linearly upon nuclear displacements. This is again determined by the existence of non-vanishing perturbation matrix elements which are linear in the nuclear displacements. These matrix elements are integrals involving the electronic wave functions with spin and the nuclear dis­placements, and we deduce as before from their transformation properties whether for a given molecular symmetry they can be different from zero.

Dynamic Jahn-Teller Effect and Colossal Magnetoresistance in La 1-x Sr x MnO 3

Abstract: A model for the doped rare-earth manganites such as ${\mathrm{La}}_{1\ensuremath{-}x}{\mathrm{Sr}}_{x}{\mathrm{MnO}}_{3}$ incorporating the physics of dynamic Jahn-Teller and double-exchange effects is presented and solved via a dynamical mean field approximation. The interplay of these two effects as the electron phonon coupling is varied reproduces the observed behavior of the resistivity and magnetic transition temperature.

The Jahn-Teller effect and magnetism: transition metal compounds

Abstract: The properties of magnetic insulators containing orbitally degenerate transition metal ions (Jahn-Teller ions) are discussed. The Jahn-Teller effect in these insulators causes structural phase transitions, lowers the lattice symmetry, and gives rise to an orbital ordering. Various interactions responsible for these effects are discussed: the electron-lattice, quadrupole-quadrupole, and exchange interactions. The mutual effects of the orbital ordering and the magnetic properties of corresponding compounds are discussed. The exchange interaction in the cases of twofold and threefold orbital degeneracy is discussed. The effect of a magnetic field on the orbital and magnetic structure and the temperature dependence of the exchange interaction are studied. The properties of several representative compounds containing Jahn-Teller ions are discussed.

Studies of the Jahn-Teller effect .II. The dynamical problem

Abstract: This paper examines the vibronic energy levels of a symmetrical non-linear molecule in a spatially doubly degenerate electronic state which is split in first order by a doubly degenerate vibrational mode. The vibronic levels are classified by a quantum number, which in certain cases is formally related to the combined angular momentum of electronic and vibrational motion, and numerical values are obtained for the energies of these levels as functions of this quantum number and a dimensionless parameter measuring the magnitude of the electronic-vibrational coupling. It is shown that the selection rules for transitions from these vibronic levels to those of a non-degenerate electronic state allow changes in vibrational energy of any integral number of quanta, as though the Jahn-Teller effect were equivalent to a distortion which makes allowed vibrational transitions which would otherwise be forbidden. Numerical values are given for the oscillator strengths of vibronic absorption or emission bands involving transitions between a Jahn-Teller distorted state and an electronically non-degenerate state. It is found that in transitions from the latter to the former the vibrational structure of the electronic band exhibits two intensity maxima if the distortion is large.

The Jahn-Teller Effect

Abstract: 1. Introduction 2. Vibronic interactions 3. Formulation of Jahn-Teller problems. Adiabatic potentials 4. Pseudo Jahn-Teller, Product Jahn-Teller, and Renner-Teller effects 5. Solutions of vibronic equations. Energy spectra and Jahn-Teller dynamics 6. The Jahn-Teller Effect in spectroscopy: general theory 7. Geometry, spectra, and reactivity of molecular systems 8. Solid-state problems: local properties and cooperative phenomena Appendices Subject index Formula index.