Related papers: Displacive Jahn--Teller transition in NaNiO$_2$

The interaction of coexisting structural instabilities in multiferroic materials gives rise to intriguing coupling phenomena and extraordinarily rich phase diagrams, both in bulk materials and strained thin films. Here we investigate the…

In this work, we report an atomic scale study on the ferromagnetic insulator manganite LaMnO$_{3.12}$ using $\gamma-\gamma$ PAC spectroscopy. Data analysis reveals a nanoscopic transition from an undistorted to a Jahn-Teller-distorted local…

The high-pressure behaviour of Na$_2$CuF$_4$ is explored by powder neutron diffraction and density functional theory (DFT) calculations. A first-order phase transition is observed to take place between 2.4 - 2.9 GPa, involving a…

CsCuCl$_3$, chiral and Jahn-Teller distorted at room temperature, takes a more symmetric structure above 423K. Describing this 'simpler' high temperature structure is far from simple and has been the subject of many, sometimes…

We study with the Raman scattering technique two types of phase transitions in the pyroxene compounds NaMSi$_2$O$_6$ (with M=Ti, V, and Cr). In the quasi one-dimensional S=1/2 system NaTiSi$_2$O$_6$ we observe anomalous high-temperature…

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…

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…

Epitaxial thin films of stoichiometric ${\rm LaMnO_3}$ were grown on ${\rm SrTiO_3(110)}$ substrates using the pulsed laser deposition technique. From the high resolution x-ray diffraction measurements, the lattice parameters were…

A stability analysis of metal nanowires shows that a Jahn-Teller deformation breaking cylindrical symmetry can be energetically favorable, leading to stable nanowires with elliptic cross sections. The sequence of stable cylindrical and…

We present a systematic study of the electronic structure of strained La$_3$Ni$_2$O$_7$ thin films. We show that biaxial compressive strain mainly elongates the outer apical Ni-O bond while leaving the inner apical Ni-O bond nearly…

It is now well known that electron (hole)-vibron coupling and hence Jahn-Teller (JT) effect is important understanding the properties of $C_{60}$ and related molecules. In this paper, we study $H\otimes (2h\oplus g)$ coupling case to find…

The detailed evolution of the magnitude of the local Jahn-Teller (JT) distortion in La_{1-x} Ca_x Mn O_3 is obtained across the phase diagram for 0 < x < 0.5 from high quality neutron diffraction data using the atomic pair distribution…

The origin of the cooperative Jahn-Teller distortion and orbital-order in LaMnO3 is central to the physics of the manganites. The question is complicated by the simultaneous presence of tetragonal and GdFeO3-type distortions and the strong…

The Jahn-Teller distortive transition of \lmo is described by a modified 3-state Potts model. The interactions between the three possible orbits depends both on the orbits and their relative orientation on the lattice. Values of the two…

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…

I study the experimentally observed metal-to-metal structural phase transition in NaTiO$_2$ using density functional calculations. I do not find the previously proposed low-temperature structure energetically favorable with respect to the…

Through 13C NMR spin lattice relaxation (T1) measurements in cubic Na2C60, we detect a gap in its electronic excitations, similar to that observed in tetragonal A4C60. This establishes that Jahn-Teller distortions (JTD) and strong…

We report the observation of a stepwise "melting" of the low-temperature Na-vacancy order in the layered transition metal oxide Na0.7CoO2. High-resolution neutron powder diffraction indicates the existence of two first-order structural…

The development of Mn-rich cathodes for Li-ion batteries promises to alleviate supply chain bottlenecks in battery manufacturing. Challenges in Mn-rich cathodes arise from Jahn-Teller (JT) distortions of Mn$^{3+}$, Mn migration, and phase…

We report the first direct observation of the influence of high magnetic fields on the Jahn-Teller (JT) transition in TbVO4. Contrary to spectroscopic and magnetic methods, X-ray diffraction directly measures the JT distortion; the…