Related papers: Jahn-Teller driven quadrupolar ordering and spin-o…
We present powder and single crystal X-ray diffraction data as evidence for a monoclinic distortion in the low spin (S=0) and intermediate spin state (S=1) of LaCoO3. The alternation of short and long bonds in the ab plane indicates the…
LaMnO$_3$ is considered as a prototypical Jahn-Teller perovskite compound, exhibiting a metal to insulator transition at $T_{JT} = 750K$ related to the joint appearance of an electronic orbital ordering and a large lattice Jahn-Teller…
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…
With the use of the band structure calculations we demonstrate that previously reported [Nat. Materials {\bf 3}, 48 (2004)] experimental crystal and magnetic structures for NaMn$_7$O$_{12}$ are inconsistent with each other. The optimization…
In this letter we report the stress induced Mn charge-ordering process in the LiMn2O4 spinel, evidenced by the lattice strain evolutions due to the Jahn-Teller effects. In-situ neutron diffraction, reveals that the initial stage of this…
We study the unconventional insulating state in A_4C_{60} with a variety of approaches, including density functional calculations and dynamical mean-field theory. While the former predicts a metallic state, in disagreement with experiment,…
The Jahn-Teller effect explains distortions and non-degenerate energy levels in molecular and solid-state physics via a coupling of effective spins to collective bosons. Here we propose and theoretically analyze the quantum simulation of a…
The critical behaviour associated with cooperative Jahn-Teller phase transitions in TbV$_{1-x}$As$_{x}$O$_{4}$ (where \textit{x} = 0, 0.17, 1) single crystals have been studied using high resolution x-ray scattering. These materials undergo…
We have synthesized a new spinel oxide LiRh2O4 with a mixed-valent configuration of Rh3+ and Rh4+. At room temperature it is a paramagnetic metal, but on cooling, a metal-insulator transition occurs and a valence bond solid state is formed…
We have analyzed different correlation functions in a realistic spin-orbital model for half-doped manganites. Using a finite-temperature diagonalization technique the CE phase was found in the charge-ordered phase in the case of small…
Using ab initio thermodynamics we compile a phase diagram for the surface of Fe3O4(001) as a function of temperature and oxygen pressures. A hitherto ignored polar termination with octahedral iron and oxygen forming a wave-like structure…
We present the results of the magnetic and specific heat measurements on V4 tetrahedral-cluster compound GaV4S8 between 2 to 300K. We find two transitions related to a structural change at 42K followed by ferromagnetic order at 12K on…
The spin dimer system $\mathrm{Ba}_{3-x}\mathrm{Sr}_x\mathrm{Cr_2O_8}$ is a solid solution of the triplon Bose-Einstein condensation candidates $\mathrm{Ba_3Cr_2O_8}$ and $\mathrm{Sr_3Cr_2O_8}$. The magnetic intradimer interaction constant…
LaTiO$_3$ is known as Mott-insulator which orders antiferromagnetically at $T_{\rm N}=146$ K. We report on results of thermal expansion and temperature dependent x-ray diffraction together with measurements of the heat capacity, electrical…
We present a theoretical study of a possibility of superconductivity in a three dimensional molecular conductor in which the interaction between electrons in doubly degenerate molecular orbitals and an {\em intra}molecular vibration mode is…
A first order structural Jahn-Teller transition at T_{JT} = 650 K has been recently reported for the quadruple perovskite LaMn7O12 . We have carried out magnetization and transport measurements below and above T_{JT} in order to investigate…
Reproducing the electronic structure of AM$_4$X$_8$ lacunar spinels with a breathing pyrochlore lattice is a great theoretical challenge due to the interplay of various factors. The character of the M$_4$X$_4$ cluster orbitals is critically…
The low-doped magnetic perovskite La_{7/8}Sr_{1/8}MnO_3 undergoes within the paramagnetic-semiconducting phase a first-order structural transition due to antiferrodistorsive ordering of Jahn-Teller deformed MnO_6 octahedra. This allows to…
This paper reviews recent experimental and theoretical developments of the dynamic Jahn-Teller effect-driven phenomena in heavy transition metal-based spin-orbit Mott insulators. In cubic $4d/5d$ transition metal compounds, the spin,…
We perform a time-resolved optical study of Sr$_2$IrO$_4$ to understand the influence of magnetic ordering on the low energy electronic structure of a strongly spin-orbit coupled $J_{eff}$=1/2 Mott insulator. By studying the recovery…