Related papers: Continuous vibronic symmetries in Jahn-Teller mode…
In 1937 the Jahn-Teller (JT) effect addressed the instability (potential or actual) of non-linear symmetric molecules with degenerate orbital electronic states. In view of the large variety of JT activity that has taken place since then, we…
We present a scalable machine learning (ML) force-field model for the adiabatic dynamics of cooperative Jahn-Teller (JT) systems. Large scale dynamical simulations of the JT model also shed light on the orbital ordering dynamics in colossal…
Compared to isolated C$_{60}^{3-}$ ions, characterized by a threedimensional equipotential trough at the bottom of the lowest adiabatic potential energy surface (APES), the Jahn-Teller (JT) effect in cubic fullerides is additionally…
Topological and geometrical methods are used to calculate the pseudorotational part of the vibronic spectrum for an electronic triplet of an octahedral, tetrahedral, or icosahedral molecule. The calculations take into account the nontrivial…
Analysis of the intriguing physical properties of the dodecaborides, $R$B$_{12}$, requires accurate data on their crystal structure. We show that a simple cubic model fits well with the atomic positions in the unit cell but cannot explain…
We develop a geometric construction to prove the inevitability of the electronic ground-state (adiabatic) Berry phase for a class of Jahn-Teller models with maximal continuous symmetries and N > 2 intersecting electronic states. Given that…
The Jahn-Teller effect (JTE) reduces the geometrical symmetry of a system with degenerate electronic states via vibronic coupling, playing a pivotal role in molecular and condensed systems. In this Letter, we propose that vibrational…
The co-existence of band Jahn-Teller (BJT) effect with superconductivity (SC) is studied for correlated systems, with orbitally degenerate bands using a simple model. The Hubbard model for a doubly degenerate orbital with the on-site…
It is demonstrated that under common conditions a molecular solid subject to Jahn-Teller interactions supports stable Q-ball-like non-topological solitons. Such solitons represent a localized lump of excess electric charge in periodic…
Short-range resonating-valence bond states in an orbitally degenerate magnet on a honeycomb lattice is studied. A quantum-dimer model is derived from the Hamiltonian which represents the superexchange interaction and the dynamical…
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+),…
We study electron propagation in a molecular lattice model. Each molecular site involves doubly degenerate electronic states coupled to doubly degenerate molecular vibration, leading to a so--called E-e type of Jahn-Teller Hamiltonian. For…
The long-range spectral density correlations (spectral rigidities $\bar{\Delta}_3(\bar n)$ and related spectral compressibilities) of the $E\otimes (b_1+b_2)$ Jahn-Teller model are found strongly nonuniversal with respect to the Hamiltonian…
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 mechanisms of localization of Jahn-Teller deformations and vibronic wavefunctions in isotope substituted dynamical Jahn-Teller systems are elucidated. It is found that the localization in the trough is of potential type in the case of…
A novel form of Jahn-Teller (JT) effect in the cuprates can be reinterpreted as a conventional JT effect on a lattice with a larger unit cell. There is a triplet of instabilities, parametrized by a pseudospin, consisting of a form of the…
The consequences of the Jahn-Teller (JT) orbital-lattice coupling for magnetism of pseudospin J_{eff}=1/2 and J_{eff}=0 compounds are addressed. In the former case, represented by Sr_2IrO_4, this coupling generates, through the so-called…
The properties of transition metal compounds are largely determined by nontrivial interplay of different degrees of freedom: charge, spin, lattice, but also orbital ones. Especially rich and interesting effects occur in systems with orbital…
A C$_3$-symmetric crystal-field potential in the Fe(II)Fe(III) bimetallic oxalates splits the L=2 Fe(II) multiplet into two doublets and a singlet. In compounds that exhibit magnetic compensation, one of the doublets was predicted to lie…
Jahn--Teller (JT) distortions are a key driver of physical properties in many correlated oxide materials. Cooperative JT distortions, in which long-range orbital order reduces the symmetry of the average structure macroscopically, are…