相关论文: Mott insulating negative thermal expansion perovsk…
Recent experimental work has revealed that the unusually strong, isotropic structural negative thermal expansion in cubic perovskite ionic insulator ScF3 occurs in excited states above a ground state tuned very near a structural quantum…
Perovskite structured materials contain myriad tunable ordered phases of electronic and magnetic origin with proven technological importance and strong promise for a variety of energy solutions. An always-contributing influence beneath…
We investigate the halide perovskite TiF$_3$, renowned for its intricate interplay between structure, electronic correlations, magnetism, and thermal expansion. Despite its simple structure, understanding its low-temperature magnetic…
The empty perovskite ScF3 exhibits negative thermal expansion up to 1100 K. We demonstrate that ab-initio calculations of temperature-dependent effective phonon spectra allow to quantitatively describe the behavior of this compound and the…
X-ray diffraction, dynamical mechanical analysis and infrared reflectivity studies revealed an antiferrodistortive phase transition in EuTiO3 ceramics. Near 300K the perovskite structure changes from cubic Pm-3m to tetragonal I4/mcm due to…
The anomalous thermal expansion in a layered 3$d$-5$d$ based triple perovskite iridate Ba$_{3}$CoIr$_{2}$O$_{9}$ is investigated using high resolution synchrotron diffraction. Below the magneto-structural transition at 107\,K, the onset of…
The two-dimensional layered perovskite Sr2IrO4 was proposed to be a spin-orbit Mott insulator, where the effect of Hubbard interaction is amplified on a narrow J_{eff} = 1/2 band due to strong spin-orbit coupling. On the other hand, the…
Transition metal oxides are promising candidates for thermoelectric applications, because they are stable at high temperature and because strong electronic correlations can generate large Seebeck coefficients, but their thermoelectric power…
While the phase diagrams of the one- and multi-orbital Hubbard model have been well studied, the physics of real Mott insulators is often much richer, material dependent, and poorly understood. In the prototype Mott insulator…
Up to now the crystallographic structure of the magnetoelectric perovskite EuTiO3 was considered to remain cubic down to low temperature. Here we present high resolution synchrotron X-ray powder diffraction data showing the existence of a…
We have investigated the temperature evolution of magnetism and its interrelation with structural parameters in perovskite-based layered compound Sr$_2$IrO$_4$, which is believed to be a $J_{eff}$ = 1/2 Mott insulator. The structural…
Magnetometry, electrical transport, and neutron scattering measurements were performed on single crystals of the Fe^{4+}-containing perovskite-related phase Sr_3Fe_2O_7-x as a function of oxygen content. Although both the crystal structure…
Novel CaV1-xWxO3 (0.1 < x < 0.33) oxides with an orthorhombically distorted perovskite structure of GdFeO3 type have been synthesized. These compounds contain in B-position W+6 and V cations in an oxidation state between +4 (CaVO3) and +3…
We present results of combined density functional theory plus dynamical mean-field theory (DFT+DMFT) calculations, which show that the Mott insulator LaTiO3 undergoes an insulator-to-metal transition under compressive epitaxial strain of…
Ca2RuO4 is a structurally-driven Mott insulator with a metal-insulator transition at TMI = 357K, followed by a well-separated antiferromagnetic order at TN = 110 K. Slightly substituting Ru with a 3d transition metal ion M effectively…
Motivated by the unveiled complexity of nonmagnetic insulating behavior in pentavalent post-perovskite NaIrO$_3$, we have studied its electronic structure and phase diagram in the plane of Coulomb repulsive interaction and spin-orbit…
The metal to insulator transition (MIT) in Mott-Hubbard systems is one of the most important discoveries in condensed matter physics, and results in abrupt orbital transitions from the insulating to metallic phases by elevating temperature…
In addition to its promising potential for applications, GaV4S8 shows very interesting physical properties with temperature and magnetic field. These properties can be tuned by applying hydrostatic pressure in order to reveal and understand…
We report the synthesis and structural characterisation of the molecular framework copper(I) hexacyanocobaltate(III), Cu$_3$[Co(CN)$_6$], which we find to be isostructural to H$_3$[Co(CN)$_6$] and the colossal negative thermal expansion…
We use scanning tunneling microscopy to study the temperature evolution of electronic structure in Ca3Cu2O4Cl2 parent Mott insulator of cuprates. We find that the upper Hubbard band moves towards the Fermi energy with increasing…