Related papers: Jahn-Teller effect in cubic fullerides A$_{3}$C$_{…
Using density functional theory (DFT) with local density approximation (LDA) and generalized gradient approximation (GGA) correlation functionals, the electronic and magnetic structures of cubic BaFeO$_{3}$ in the ferromagnetic (FM) and…
Using density-functional theory (DFT) and its extension to DFT+$U$, we propose a possible scenario for a strain-induced metal-insulator transition which has been reported recently in thin films of SrCrO$_3$. The metal-insulator transition…
A model interaction is proposed in which pairing is caused by a non-local Jahn-Teller (JT) -like instability due to the coupling between planar O states and knot equal to 0 phonons. Apart from pairing, the interaction is found to naturally…
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…
The surprising insulating and superconducting states of narrow-band graphene twisted bilayers have been mostly discussed so far in terms of strong electron correlation, with little or no attention to phonons and electron-phonon effects. We…
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…
Based on previously computed parameters for the electron-phonon couplings and the Coulomb exchange, we compute and classify the static Jahn-Teller distortions, i.e. the minima of the lowest adiabatic potential energy surface, of C60(n+),…
The Jahn-Teller effect of C$_{60}$ anions in the first electronically excited states was theoretically investigated. The orbital vibronic coupling parameters for the $t_{1g}$ next lowest unoccupied molecular orbitals were derived from the…
Assessing the effective relevance of multiband effects in the fullerides is of fundamental importance to understand the complex superconducting and transport properties of these compounds. In this paper we investigate in particular the role…
The trivalent alkali fullerides A$_3$C$_{60}$, where C$_{60}$ are a well established family of molecular superconductors. The electron pairing has s-wave symmetry and is due to standard electron-phonon coupling, in particular by Jahn-Teller…
We present a density functional theory (DFT) calculation in the generalized gradient approximation to study the possibility for the existence of Jahn-Teller (JT) or pseudo Jahn-Teller (PJT) type local distortions in the La-Ba-Cu-O…
The electron-phonon interaction in $C_{70}$ anions is studied by making use of a lattice relaxation approach. We find there exists a Jahn-Teller effect in $C_{70}^{3-}$ system, due to an extra electron being doped to the double degenerate…
The Jahn-Teller effect in the charge-ordered (CO) state for La1-xCaxMnO3 (0.5<x<0.87) was studied by measuring the low-temperature powder x-ray diffraction, internal friction, and shear modulus. We find that the electron-lattice interaction…
Dynamical Jahn-Teller (DJT) effect in a spin-orbital coupled system on a honeycomb lattice is examined, motivated from recently observed spin-liquid behavior in Ba$_3$CuSb$_2$O$_9$. An effective vibronic Hamiltonian, where the superexchange…
The Jahn-Teller (JT) distortion that can remove electronic degeneracies in partially occupied states and results in systematic atomic displacements is a common underlying feature to many of the intriguing phenomena observed in 3d…
Cs3C60 is a correlated superconductor under pressure, but an insulator under ambient conditions. The mechanism causing this insulating behavior is the combination of Mott localization and the dynamic Jahn-Teller effect. We show evidence…
Jahn-Teller (JT) effect both in the absence and presence of the strong Coulomb correlation is studied theoretically focusing on the reduction $\Delta K$ of the kinetic energy gain which is directly related to the spin wave stiffness.…
We review some theoretical aspects connected with the interplay of strong electron correlations and vibron phenomena in negative fullerene ions and in solid fulleride conductors, superconductors and insulators. The first part covers…
Non-local order parameters in space-time are proposed to characterize the unconventional orbital-selective conducting state in fulleride superconductors, called the Jahn-Teller metal. In previous works, it has been argued that this state…
The Jahn-Teller effect (JTE) is central to the understanding of the physical and chemical properties of a broad variety of molecules and materials. Whereas the manifestations of the JTE on stationary properties of matter are relatively well…