Related papers: Structural relaxation and Jahn-Teller distortion o…
The structural phase diagram of the La1-xSrxMnO3 system in the compositional range 0.08 <= x <= 0.125 has been investigated by high-resolution synchrotron x-ray powder diffraction techniques between 20-600 K. Recent studies have reported…
Calculations employing the local density approximation combined with static and dynamical mean-field theories (LDA+U and LDA+DMFT) indicate that the metal-insulator transition observed at 32 GPa in paramagnetic LaMnO3 at room temperature is…
Oxygen octahedral rotations have been measured in short-period (LaNiO$_3$)$_n$/(SrMnO$_3$)$_m$ superlattices using synchrotron diffraction. The in-plane and out-of-plane bond angles and lengths are found to systematically vary with…
Complex oxide functionality, such as ferroelectricity, magnetism or superconductivity is often achieved in epitaxial thin-film geometries. Oxygen vacancies tend to be the dominant type of defect in these materials but a fundamental…
Temperature evolution of dielectric response, atomic structure, and lattice dynamics in thin film of sodium niobate in the epitaxial NaNbO$_3$/SrRuO$_3$/(001)MgO heterostructure is studied by dielectric measurements, x-ray diffraction, and…
The topographic and electronic structure of cleaved SrTiO3(001) surfaces were studied, employing samples that either had or had not been coated with Ti on their outer surfaces prior to fracture. In both cases, SrO- and TiO2-terminated…
We have investigated the crystal structure and magnetic properties for polycrystalline samples of LaMn1-xFexO3+y, in the whole range x=0.0 to x=1.0, prepared by solid state reaction in air. All samples show the ORT-2 orthorhombic structure…
A computational scheme for the investigation of complex materials with strongly interacting electrons is formulated which is able to treat atomic displacements, and hence structural relaxation, caused by electronic correlations. It combines…
The results of fabrication and characterization of atomic structure of nanocrystalline thin layers of Y2O3 in cubic and monoclinic phases is reported. Experimental data demonstrate crystalline ordering in nanocrystalline films with average…
We present a joint theoretical and experimental study of the oxygen $K$-edge spectra for LaFeO$_3$ and homovalent Ni-substituted LaFeO$_3$ (LaFe$_{0.75}$Ni$_{0.25}$O$_3$), using first-principles simulations based on density-functional…
In this work we present a detailed study of the structural and lattice dynamic properties of Y-doped EuMnO3 ceramics (Eu1-xYxMnO3, with 0<x<0.55). A thorough analysis towards the correlation between both structural and Raman modes…
We present a comprehensive first-principles study of the electronic charge redistribution in atomically sharp LaAlO$_3$/SrTiO$_3$(001) heterointerfaces of both n- and p-types allowing for non-stoichiometric composition. Using two different…
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…
Emergent magnetic states at oxide interfaces arise from the interplay of charge transfer, orbital reconstruction, and dimensional confinement, offering a route to engineered correlated-electron behavior in nanoscale spintronic materials.…
Alumina (Al$_{2}$O$_{3}$) is a key material for thin-film growth and heterogeneous catalysis, where the atomic surface structure critically impacts performance. Using noncontact atomic force microscopy (nc-AFM) combined with density…
The electronic structure of SrTiO3(001) surfaces was studied using scanning tunneling spectroscopy and density-functional theory. With high dynamic range measurements, an in-gap transition level was observed on SrO-terminated surfaces, at…
Lattice structure can dictate electronic and magnetic properties of a material. Especially, reconstruction at a surface or heterointerface can create properties that are fundamentally different from those of the corresponding bulk material.…
Mn3TeO6 (MTO) has been experimentally found to adopt a P21/n structure under high pressure, which exhibits a significantly smaller band gap compared to the atmospheric R-3 phase. In this study, we systematically investigate the magnetism,…
We report a comprehensive study of dc susceptibility, specific heat, neutron diffraction, and inelastic neutron scattering measurements on polycrystalline Ba3(Cr1-xVx)2O8 samples, where x=0, 0.06, 0.15, and 0.53. A Jahn-Teller structure…
We investigate the evolution of spin and orbital order in undoped LaMnO$_3$ under increasing temperature with a model including both superexchange and Jahn-Teller interactions. We used several cluster mean field calculation schemes and find…