Related papers: Machine Learning the order-disorder Jahn-Teller tr…

The local environment of manganese atoms in LaMnO3 under pressure up to 15.3 GPa has been studied by x-ray absorption spectroscopy. For pressures below 8 GPa, no change is detected within the MnO6 octahedra. Above this pressure a continuous…

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…

Magnetic and specific-heat measurements are performed in three different samples of LaMnO_{3+\delta}, with \delta=0.11, 0.15 and 0.26, presenting important disorder effects, such as carrier localization, due to high amounts of La and Mn…

Experimental investigations of the phase transition in GeTe provide contradictory conclusions regarding the nature of the phase transition. Considering growing interest in technological applications of GeTe, settling these disputes is of…

The double-exchange model for the Mn oxides with orbital degeneracy is studied with including on-site Coulomb repulsion, Jahn-Teller (J-T) coupling and doping-induced disorder. In the strong interaction limit, it is mapped onto a…

Measurements of the structure of hexagonal RMnO3 (R=rare earths (Ho) and Y) for temperatures significantly above the ferroelectric transition temperature (TFE) were conducted to determine the nature of the transition. The local and long…

We have investigated the volume collapse occurring in LaMnO3 unit cell using the anisotropic Potts model modified by two types of anisotropic interactions which has been used to study the change of Mn-O bonds lengths as function of…

We present a computational scheme for ab initio total-energy calculations of materials with strongly interacting electrons using a plane-wave basis set. It combines ab initio band structure and dynamical mean-field theory and is implemented…

Ultrasound velocity measurements of magnesium chromite spinel MgCr$_2$O$_4$ reveal elastic anomalies in the paramagnetic phase that are characterized as due to geometrical frustration. The temperature dependence of the tetragonal shear…

The question on the dominant driving mechanism (displacive or order-disorder) at each structural phase transition of KNbO3 is investigated by means of molecular dynamics simulations. To this purpose, we first develop a shell model by…

Understanding the coupling between structural phase transitions and thermal transport is essential for designing functional materials with tunable properties. Here, we investigate this interplay in CaSnF$_6$ by combining first-principles…

We use a combination of neutron and X-ray total scattering measurements together with pair distribution function (PDF) analysis to characterise the variation in local structure across the orbital order--disorder transition in LaMnO$_3$. Our…

It is argued that both transitions observed in 50%-doped manganites, at the N\'{e}el temperature ($T_{\rm N}$) and the so-called charge ordering temperature ($T_{\rm CO}$), are magnetic. $T_{\rm N}$ corresponds to the order-disorder…

We study the controlled manipulation of the Jahn-Teller metal state of fulleride compounds using nonequilibrium dynamical mean field theory. This anomalous metallic state is a spontaneous orbital-selective Mott phase, which is characterized…

We report on detailed structural, electronic and magnetic studies of GdMn$_{1-x}$Cr$_x$O$_3$ for Cr doping levels 0 $\le$ $x$ $\le$ 1. In the solid solutions, the Jahn-Teller distortion associated with Mn$^{3+}$ ions gives rise to major…

Ordering and quantum fluctuations of orbital degrees of freedom are studied theoretically for LaVO$_3$ in spin-C-type antiferromagnetic state. The effective Hamiltonian for the orbital pseudospin shows strong one-dimensional anisotropy due…

Using first-principles techniques, we study the structural, magnetic and electronic properties of (111)-oriented (LaMnO$_3$)$_{2n}$$\vert$(SrMnO$_3$)$_{n}$ superlattices of varying thickness ($n=2,4,6$). We find that the properties of the…

We show that the pressure-induced metal-insulator transition (MIT) in LaMnO$_3$ is fundamentally different from the Mott-Hubbard transition and is percolative in nature, with the measured resistivity obeying the percolation scaling laws.…

Temperature-dependent FAR-infrared reflectivity spectra of partially ordered magnetodielectric La2CoMnO6 is presented, from room temperature up to 675 K. A clear first-ordered structural phase transition (SPT) from a monoclinic structure…

The phase transition in a 3D array of classical anharmonic oscillators with harmonic nearest-neighbour coupling (discrete $\phi^4$ model) is studied by Monte Carlo (MC) simulations and by analytical methods. The model allows to choose a…