Related papers: Structural relaxation and Jahn-Teller distortion o…
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…
Local structure of the Fe-doped La$_{1-x}$Ca$_{x}$MnO$_{3}$ (x=0.00-1.00) compounds has been investigated by means of M\"{o}ssbauer spectroscopy. $^{57}$Fe M\"{o}ssbauer spectra provide a direct evidence of Jahn-Teller distortion in these…
We report direct experimental evidence of antiferroelectric to paraelectric phase transition under pressure in NaNbO3 using neutron diffraction at room temperature. The paraelectric phase is found to stabilize above 8 GPa and its crystal…
Double-layered Sr3Ru2O7 has received phenomenal consideration because it exhibits a plethora of exotic phases when perturbed. New phases emerge with the application of pressure, magnetic field, or doping. Here we show that creating a…
The thermodynamically stable long-range orbital order in bulk LaMnO3 becomes metastable at nanoscale around a critical particle size d_C~20 nm. The orbital order-disorder transition switches from reversible to irreversible at d_C while the…
The Raman scattering (RS) spectra of rhombohedral $LaMnO_3$ is considered. It is shown that broad high intensity RS line at 640 $cm^{-1}$ could be explained in the framework of cooperative dynamical Jahn-Teller effect. This hypothesis is…
Combining GGA-plane wave approach as implemented into the VASP - 4.6.19 computer code with a slab model, we studied in detail the atomic and electronic structure of the LaMnO3 surfaces, in both cubic and orthorhombic phases. The results…
We present a comprehensive ellipsometric study of an untwinned, nearly stoichiometric LaMnO_3 crystal in the spectral range 1.2-6.0 eV at temperatures 20 K < T < 300 K. The complex dielectric response along the b and c axes of the Pbnm…
We report on combined neutron and resonant x-ray scattering results, identifying the nature of the spin-orbital ground state and magnetic excitations in LuVO3 as driven by the orbital parameter. In particular, we distinguish between models…
The structure of the $(\sqrt{5}\times\sqrt{5})R26.6^\circ$ reconstruction of LaAlO$_3$ (001) has been determined using transmission electron diffraction combined with direct methods. The structure is relatively simple, consisting of a…
A synchrotron x-ray diffraction study of the crystallographic structure of PrO2 in the Jahn-Teller distorted phase is reported. The distortion of the oxygen sublattice, which was previously ambiguous, is shown to be a chiral structure in…
Room temperature Co K-edge extended x-ray absorption fine structure (EXAFS), x-ray absorption near edge structure (XANES) including pre-edge and x-ray diffraction (XRD) studies are carried out on LaCoO3 and PrCoO3. The Co-O, Co-La/Pr and…
We investigate the importance of quantum orbital fluctuations in the orthorhombic and monoclinic phases of the Mott insulators LaVO3 and YVO3. First, we construct ab-initio material-specific t2g Hubbard models. Then, by using dynamical…
Iron oxides are among the most abundant compounds on Earth and have consequently been studied and used extensively in industrial processes. Despite these efforts, concrete understanding of some of their surface phase structures has remained…
Considering electron correlation appropriately is important to predict the properties of layered transition metal oxides, which have drawn a lot of attention as cathode materials for sodium-ion batteries. Here, we explore the phonon and…
We report on studies of the structure and dynamics of the (001)surface of single crystal LiCu2O2, investigated by He beam scattering at room temperature, and with lattice dynamical models. The best fit surface corrugation to measured…
The surface structural phases of Ca(2-x)Sr(x)RuO(4) are investigated using quantitative Low Energy Electron Diffraction. The broken symmetry at the surface enhances the structural instability against the RuO6 rotational distortion while…
In the R1/2D1/2MnO3 manganites (R: rare earth, D: divalent cation), the structural phase transition at Tco is commonly interpreted as a concomitant charge and orbital ordering (CO/OO) process driven by a cooperative Jahn-Teller effect and…
The electronic and atomic structure of several $(1\times 1)$ terminations of the (110) polar orientation of SrTiO$_3$ surface are systematically studied by first-principles calculations. The electronic structure of the two stoichiometric…
We report electrical measurements showing the degradation processes of LaMnO$_{3-y}$ (LaMnO) in LaMnO/normal metal interface in both point contact and planar-type junctions. Immediately after the preparation of the interface, the…