Related papers: Crystal structure, local structure, and defect str…
SrNi$_2$P$_2$ is unique among the ThCr$_2$Si$_2$ class since it exhibits a temperature induced transition upon cooling from an uncollapsed tetragonal (ucT) state to a one-third-collapsed orthorhombic (tcO) state where one out of every three…
We used x-ray absorption spectroscopy to study the orbital symmetry and the energy band splitting of (111) LaAlO${_3}$/SrTiO${_3}$ and LaAlO${_3}$/EuTiO${_3}$/SrTiO${_3}$ heterostructures, hosting a quasi two-dimensional electron system…
The local electronic structure of the SrO-terminated SrTiO3(001) surface was explored using scanning tunneling microscopy. At low bias voltages in the empty states, a unidirectional structure with a periodicity of 3 unit cells, superimposed…
The effect of rare-earth ion size on the octahedral distortions in rare-earth chromites (RCrO3, R = Lu, Tb, Gd, Eu, Sm) crystallizing in the orthorhombic structure has been studied using Raman scattering and synchrotron powder x-ray…
SrTiO$_3$ is a model perovskite compound with unique properties and technological relevance. At 105 K it undergoes a transition from a cubic to a tetragonal phase with characteristic antiferrodistortive rotations of the TiO$_6$ octahedra.…
First-principles calculations based on density-functional theory in the pseudo-potential approach have been performed for the total energy, crystal structure and cell polarization for SrTaO$_2$N/SrTiO$_3$ heterostructures. Different…
The effects of the cooperative Jahn-Teller effect on the crystal structure and the stability of the charge ordered (CO) state were studied by measurements of powder X-ray diffraction, resistivity, and ultrasound for Pr1-xCaxMnO3…
Cu2OSeO3 is known as a unique example of insulating multiferroic compounds with skyrmion spin texture, which is characterized by the chiral cubic crystal structure at ambient pressure. Recently, it has been reported that this compound shows…
One prominent structural feature of ionic liquids near surfaces is formation of alternating layers of anions and cations. However, how this layering responds to applied potential is poorly understood. We focus on the structure of…
Pb(Mg$_{1/3}$Nb$_{2/3}$)O$_3$-PbTiO$_3$ perovskite-based crystals attract considerable scientific interest due to their interesting properties and possible use in piezoelectricity and photovoltaics. To understand the local structure and…
The electron paramagnetic resonance (EPR) parameters ($g$ factors $g_{i}$ and the hyperfine structure constants ${{A}}_{{i}}$, ${i} = {x}, {y}, {z}$) are interpreted by using the perturbation formulae for a $3{d}^{9}$ ion in rhombically…
A set of LaAlO3/SrTiO3 (LAO-STO) interfaces has been probed by X-ray photoemission spectroscopy in order to contrast and compare the effects of LAO overlayer thickness and of the growth conditions on the electronic properties of these…
Two-dimensional electron liquids (2DELs) have increasing technological relevance for ultrafast electronics and spintronics, yet significant gaps in their fundamental understanding are exemplified on the prototypical SrTiO$_3$. We correlate…
On the basis of the perturbation formulas for a $d^{1}$ configuration ion in a tetragonal crystal field, the three optical absorption bands and electron paramagnetic resonance (EPR) parameters ($g$ factors $g_{i}$ and hyperfine structure…
We have performed a systematic first-principles investigation to calculate the structural, electronic, and magnetic properties of PbCrO$_{3}$, CrPbO$_{3}$ as well as their equiproportional combination. The local density approximation…
Using first principles calculations, we determined the epitaxial-strain dependence of the ground state of the 1:1 SrCrO$_3$/SrTiO$_3$ superlattice. The superlattice layering leads to significant changes in the electronic states near the…
The iron arsenide Sr2CrO3FeAs with the tetragonal Sr2GaO3CuS-type structure was synthesized and its crystal structure re-determined by neutron powder diffraction. In contrast to previous X-ray crystallographic studies, a mixed occupancy of…
We present the electronic structure of Sr_{1-(x+y)}La_{x+y}Ti_{1-x}Cr_{x}O_{3} investigated by high-resolution photoemission spectroscopy. In the vicinity of Fermi level, it was found that the electronic structure were composed of a Cr 3d…
The crystal and magnetic structure of LaTiO3 ~ has been studied by x-ray and neutron diffraction techniques using nearly stoichiometric samples. We find a strong structural anomaly near the antiferromagnetic ordering, T$_N$=146 K. In…
The copper substituted lead oxyapatite, Pb$_{10-x}$Cu$_{x}$(PO$_{3.92(4)}$)$_{6}$O$_{0.96(3)}$ (x=0.94(6)) was studied using neutron and x-ray diffraction and neutron spectroscopy techniques. The crystal structure of the main phase of our…