相关论文: Jahn-Teller effect and Electron correlation in man…
We use the dynamical mean field method to study a model of electrons Jahn-Teller coupled to localized classical oscillators and ferromagnetically coupled to ``core spins'', which, we argue, contains the essential physics of the ``colossal…
Transition metal oxides incorporating Jahn-Teller (JT) ions Mn3+ (3d4) in manganites and Cu2+ (3d9) in cuprates exhibit outstanding magnetic and electronic properties, including colossal magnetoresistance (CMR) and high-temperature…
The two-orbital model for manganites with both non-cooperative and cooperative Jahn-Teller phonons is studied at hole density x=0.5 using Monte Carlo techniques. The phase diagram is obtained varying the electron-phonon coupling and the…
The three dimensional perovskite manganites in the range of hole-doping $x > 0.5$ are studied in detail using a double exchange model with degenerate $e_g$ orbitals including intra- and inter-orbital correlations and near-neighbour Coulomb…
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…
We report on the magnetic and phononic excitation spectrum of Sr3Cr2O8 determined by THz and infrared (IR) spectroscopy, and electron spin resonance (ESR) measurements across the Jahn-Teller transition, which is detected by specific-heat…
Polarons and spin-orbit (SO) coupling are distinct quantum effects that play a critical role in charge transport and spin-orbitronics. Polarons originate from strong electron-phonon interaction and are ubiquitous in polarizable materials…
At 750K, LaMnO_3 has a cooperative Jahn-Teller (JT) distortion, with Mn atoms in distorted oxygen octahedra. This lifts the degeneracy of the singly-occupied $e_g$ orbitals of the Mn$^{3+}$ ions, which then become orbitally ordered. We use…
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…
We explore quantum correlations, in particular, quantum entanglement, among vibrational phonon modes as well as between electronic and vibrational degrees of freedom in molecular systems, described by Jahn-Teller mechanism. Specifically, to…
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…
We demonstrate with LSDA+U calculations that x-ray scattering at the K edge of Mn is sensitive to orbital ordering in one energy range and Jahn-Teller distortion in another. Contrary to what is suggested by atomic or cluster models used to…
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…
We propose a three-dimensional multi-orbital tight-binding model for rare-earth nickelates RNiO$_3$ that treats charge, spin, orbital, and lattice degrees of freedom on equal footing. All model parameters, including the on-site interactions…
We present a linear spin and orbital wave theory to account for the spin and orbital orderings observed experimentally in undoped manganite. It is found that the anisotropy of the magnetic structure is closely related to the orbital…
CoTi$_{2}$O$_{5}$ has the paradox that low temperature static magnetic order is incompatible with the crystal structure owing to a mirror plane that exactly frustrates magnetic interactions. Despite no observable structural distortion with…
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…
We use first principles density functional theory to calculate electronic and magnetic properties of TiF3 using the full potential linearized augmented plane wave method. The LDA approximation predicts a fully saturated ferromagnetic metal…
Starting from the three-band $p-d$ Hubbard Hamiltonian we derive an effective $t-J$ model including electron-phonon interaction of quasiparticles with optical phonons. Within the effective Hamiltonian we analyze the influence of electronic…
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…