Related papers: Jahn-Teller effect in cubic fullerides A$_{3}$C$_{…
The effect of external electric field on the exchange interaction has been studied by an exact diagonalization method for two electrons in laterally coupled quantum dots (QD's). We have performed a systematic study of several nanodevices…
In the isostructural oxides Ca3CoMO6 (M = Co, Rh, Ir), the CoMO6 chains made up of face-sharing CoO6 trigonal prisms and MO6 octahedra are separated by Ca atoms. We analyzed the magnetic and electronic properties of these oxides on the…
The atomic pair distribution function (PDF) of stoichiometric LaMnO_3 has been measured. This has been fit with a structural model to extract the local Jahn-Teller distortion for an ideal Mn(3+)O_6 octahedron. These results are compared to…
The $5d^1$ ordered double perovskites present an exotic playground for studying novel multi-polar physics due to large spin-orbit coupling. We present Re L3 edge resonant inelastic X-ray scattering (RIXS) results that reveal the presence of…
We report the observation of an antipolar phase in cubic GaNb$_4$S$_8$ driven by an unconventional microscopic mechanism, the cooperative Jahn-Teller effect of Nb$_4$S$_4$ molecular clusters. The assignment of the antipolar nature is based…
Centrality-dependent measurements of hadron and jet cross section attenuation in deep inelastic scattering on nuclei can shed new light on the physics of final-state interactions in the nuclear matter, including the path-length dependence…
We study the effect of symmetry-breaking perturbations in the multiorbital Hubbard model coupled to anisotropic Jahn-Teller phonons, which is relevant for the description of fulleride superconductors. This system is often approximated by a…
The electronic, magnetic and orbital structures of KCrF_3 are determined in all its recently identified crystallographic phases (cubic, tetragonal, and monoclinic) with a set of {\it ab initio} LSDA and LSDA+U calculations. The…
The transverse momentum $j_{\rm T}$-dependent jet fragmentation functions have been investigated in proton+proton (p $+$ p) and proton+lead (p $+$ Pb) collisions at $\sqrt{s_{\rm NN}} = 5.02~{\rm TeV}$ with a multiphase transport model…
Ground state of the quantum Jahn-Teller model with broken rotational symmetry was investigated by the variational approach in two cases: a lattice and a local ones. Both cases differ by the way of accounting for the nonlinearity hidden in…
First-principles density functional theory methods are used to investigate the structure, energetics, and vibrational motions of the neutral vacancy defect in diamond. The measured optical absorption spectrum demonstrates that the…
We study a multiorbital Hubbard model coupled to local Jahn-Teller phonons to investigate the superconducting state realized in fullerides. A weak-coupling approach is employed in combination with a local self-energy approximation. In…
In contrary to customarily consideration of the Jahn-Teller theorem for 3d-ion compounds in the orbital space only we point out that it has to be considered in the spin-orbital space. It is despite the weakness of the intraatomic spin-orbit…
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…
We present a detailed NMR study of simple cubic CsC60, the only metallic cubic fullerides known so far besides A3C60. 133Cs NMR signals the presence of about 12 to 15% of ``anomalous'' C60 balls, characterized by a 15 meV gap. We present…
Cathode materials undergo various phase transitions during the charge/discharge process, and the structural transitions significantly affect the battery performance. Although phonon properties can provide a direct clue for structural…
The possible role of the van Hove singularity (vHs) in stabilizing the low-temperature orthorhombic (LTO) phase transition in La$_{2-x}$\-Sr$_x$\-CuO$_ 4$ (LSCO) is discussed. It is found that the vHs can drive a structural distortion in…
High-$T_c$ cuprates like $La_{2-x}Sr_{x}CuO_{4}$ and $YBa_{2-x}Cu_{3}O_{6+x}$ are considered as a system of the electron and hole polar pseudo-Jahn-Teller $CuO_{4}$ centers $[{CuO}_{4}^{7-}]_{JT}$ and $[CuO_{4}^{5-}]_{JT}$, respectively, or…
Ca3CoMnO6 is composed of CoMnO6 chains made up of face-sharing CoO6 trigonal prisms and MnO6 octahedra. The structural, magnetic, and ferroelectric properties of this compound were investigated on the basis of density functional theory…
The magnetic structure of LaMnO$_3$ is investigated on three-dimensional clusters of MnO$_6$ octahedra by using a combination of relaxation and Monte Carlo techniques. It is found that the cooperative Jahn-Teller phonons lead to the…