Related papers: NaIrO3 - A pentavalent post-perovskite
Understanding the structural phase diagram of nano scale SrTiO3 has important implications on the basic physics and applications of the general class of transition metal oxide perovskites. Pressure dependent structural measurements on…
We have investigated the structural phase transitions of the transition metal oxide perovskites SrTiO$_{3}$, LaAlO$_{3}$ and LaTiO$_{3}$ using the screened hybrid density functional of Heyd, Scuseria and Ernzerhof (HSE06). We show that…
Spin-orbit coupling in heavy 5$d$ metal oxides, in particular, iridates have received tremendous interest in recent years due to the realization of exotic electronic and magnetic phases. Here, we report the synthesis, structural, magnetic,…
We studied structural, electronic and magnetic properties of a cubic perovskite BaFeO$_{3-\delta}$ ($0 \le \delta \le 0.5$) within the density functional theory using a generalized gradient approximation and a GGA+U method. According to our…
We synthesize and study single crystals of a new double-perovskite Sr2YIrO6. Despite two strongly unfavorable conditions for magnetic order, namely, pentavalent Ir5+(5d4) ions which are anticipated to have Jeff=0 singlet ground states in…
Contradictory results of high-pressure studies in cubic bixbyite-type indium oxide (c-In2O3) at room temperature (RT) have motivated us to perform high-pressure powder x-ray diffraction and Raman scattering measurements in this material. On…
The (001) surfaces of polar perovskites BaTiO$_3$ and PbTiO$_3$ have been studied from first principles at T=0 K. For both cases of polarization, the most stable TiO-terminated interfaces show intrinsic ferroelectricity. In the topmost…
The crystal structures of the Sr1-xCaxRuO3 perovskites are investigated using both long range and local structural probes. High resolution synchrotron powder X-ray diffraction characterization at ambient temperature shows that the materials…
In this work, we report the synthesis and investigation of structural, electronic, and magnetic properties of La$_{1.5}$Ca$_{0.5}$(Co$_{0.5}$Fe$_{0.5}$)IrO$_6$. Our polycrystalline sample forms as a single-phase double perovskite in…
For decades it has been a well-known fact that among the few ferroelectric compounds in the perovskite family namely BaTiO3, KNbO3, PbTiO3 Na1/2Bi1/2TiO3 the dielectric and piezoelectric properties of BaTiO3 is considerably higher than the…
NaV2O4 crystals were grown under high pressure using a NaCl flux, and the crystals were characterized with X-ray diffraction, electrical resistivity, heat capacity, and magnetization. The structure of NaV2O4 consists of double chains of…
Motivated by recent reports of superconductivity in Sr-doped NdNiO$_2$ films on SrTiO$_3$(001) [Nature (London) 572, 624 (2019)], we explore the role of the polar interface on the structural and electronic properties of…
We report the synthesis of nanocrystal heterostructures composed of CsPbCl3 and PbS domains sharing an epitaxial interface. We were able to promote the growth of a PbS domain (in competition with the more commonly observed Pb4S3Cl2 one) on…
We employed accurate full potential density-functional theory and linearized augmented plane wave method to investigate the electronic properties and possible phase transitions of Cu3N under high pressure. The anti perovskite structure Cu3N…
A metastable perovskite BiFe0.5Sc0.5O3 synthesized under high-pressure (6 GPa) and high- temperature (1500 K) conditions was obtained in two different polymorphs, antipolar Pnma and polar Ima2, through an irreversible behaviour under a…
Some of (1-x)NaNbO_3-(x)ABO_3 perovskite solid solutions exhibit a dramatic diffusion of the dielectric permittivity epsilon' maximum and relaxor-type behavior when the second component concentration exceeds a threshold value x_0. The…
This review devoted to multiferroic properties of Bismuth-based perovskites falls into two parts. The first part focuses on BiFeO3 and summarizes the recent progress made in the studies of its pressure-temperature phase diagram and…
Halide perovskites have attracted increasing research attention regarding their outstanding optoelectronic applications. Owing to its low activation energy, ion migration is implicated in the long-term stability and many unusual transport…
We present a systematic first-principles study of the structural and vibrational properties of perovskite-structure EuTiO3. Our calculated phonon spectrum of the high-symmetry cubic structural prototype shows strong M- and R-point…
This work presents a systematic study of the magnetocaloric effect in the nanostructured perovskite series $La_{0.6}Sr_{0.4}Fe_{1-x}Co_{x}O_3$ (x = 0, 0.2, 0.5, 0.8, and 1.0), synthesized by a pore-wetting method using polymeric membranes…