Related papers: $E\otimes e$ Jahn-Teller Effect in $C_{70}^{3-}$ S…
Unstable zone-boundary phonon modes drive atomic displacements linked to a rich array of properties. Yet, the electronic origin of the instability remains to be clearly explained. Here, we propose that bonding interaction between Bloch…
A recent Letter reports photoemission data for the free C60 molecule, showing an interesting three-peak structure, presented as evidence of dynamic Jahn-Teller (DJT) effect in the C60+ ion. Those data constitute, along with earlier spectra…
We study the influence of the lattice structure, the Jahn-Teller effect and the Hund's rule coupling on a metal-insulator transition in AnC60 (A= K, Rb). The difference in lattice structure favors A3C60 (fcc) being a metal and A4C60 (bct)…
The Jahn-Teller effect is one of the most fundamental phenomena important not only for physics, but also for chemistry and material science. Solving the Jahn-Teller problem and taking into account strong electron correlations we show that…
We investigate the quantum three spin model $({\bf S_1},{\bf S_2},{\bf S_3})$ of spin$=1/2$ on a triangle, in which spins are coupled with lattice-vibrational modes through the exchange interaction depending on distances between spin sites.…
We compute the vibronic spectrum of gas phase fullerene negative ions C_{60}^{-} and C_{60}^{2-}. We treat accurately the linear dynamical Jahn-Teller of these ions in their ground state. In particular, coupling of the t_{1u} orbital to the…
The Jahn-Teller effect used semi-theoretically to analyse UV-visible spectra of the diamond like-carbon films on Si substrates. By deconvolution of UV-visible absorption spectra of the typical films, different absorption lines found. For…
The Jahn-Teller theorem constitutes one of the most popular and stringent concepts, applicable to all fields of chemistry. In open shell transition elements chemistry and physics, 3d4, 3d9, and 3d7(low-spin) configurations in octahedral…
To understand the orbital ordering of $LaMnO_3$ in the ground state, we study it in the A-type spin antiferromagnetic state. We calculate the two-dimensional response functions associated with the Jahn-Teller $Q_2$ and $Q_3$ distortions and…
The dodecaboride LuB$_{12}$ with cage-glass state and rattling modes has been studied to clarify the nature of the large amplitude vibrations of Lu ions. Discovered anisotropy of charge transport in conjunction with distortions of the…
The low-temperature orthorhombic (LTO) phase transition in La$_{2-x}$Sr$_x$CuO$_4$ can be interpreted as a dynamic Jahn-Teller effect, in which the degenerate electronic states are associated with the large densities of states at the two…
The ground state of a double-exchange model for orbitally degenerate $e_g$ electrons with Jahn-Teller lattice coupling and weak disorder is found to be spatially inhomogeneous near half filling. Using a real space Monte-Carlo method we show…
The ethynyl radical cation, CCH$^+$ ($^3\Pi$), offers a unique system for fundamental spectroscopic studies of non-adiabatic effects due to its open-shell linear structure and the presence of a low-lying $^3\Sigma^-$ state, which induces…
The Jahn-Teller system E x b_1 + b_2 has a particular degeneracy, where the vibronic potential has an elliptical minimum. In the general case where the ellipse does not reduce to a circle, the classical motion in the potential is chaotic,…
Aiming at increasing the ferroelectric polarization in AFM-E ortho-\hmo, we investigate the in-plane strain effects on both the magnetic configuration and the polarization by means of density functional theory calculations and model…
We study, by means of the time-dependent Gutzwiller approximation, the out of equilibrium dynamics of a half-filled Hubbard-Holstein model of correlated electrons interacting with local phonons. Inspired by pump-probe experiments, where…
A simple, yet accurate solution of the electron-phonon coupling problem in C_{60} is presented. The basic idea behind it is to be found in the parametrization of the ground state electronic density of the system calculated making use of…
High-pressure optical-absorption measurements performed in CuWO4 up to 20 GPa provide experimental evidence of the persistence of the Jahn-Teller (JT) distortion in the whole pressure range both in the low-pressure triclinic and in the…
Charge-state transitions of a single Cu-phthalocyanine molecule adsorbed on an insulating layer of NaCl on Cu(111) are probed by means of alternate charging scanning tunneling microscopy. Real-space imaging of the electronic transitions…
We use the Mott-Littleton approach to evaluate polarisation energies in LaMnO$_3$ lattice associated with holes localized on both Mn$^{3+}$ cation and O$^{2-}$ anion. The full (electronic and ionic) lattice relaxation energy for a hole…