Related papers: Structure and dielectric properties of BFN-KN soli…

In this study, a series of nanocrystalline ferrites of Ni0.7Cu0.30AlxFe2-xO4 (x=0.00 to 0.10 with a step of 0.02) has been synthesized through the sol-gel auto combustion technique. The structural, morphological, dielectric, and electrical…

Ferroelectric quantum criticality in perovskite oxides offers a fertile ground for emergent collective phenomena. Here we develop a first-principles-inspired quantum-statistics-based theoretical analysis of the ferroelectric order and…

We have deployed density functional theory, Wannier function analysis and mean-field calculations to investigate the double-double perovskite compound CaMnCrSbO_{6}. The crystallographically non-equivalent Mn atoms in the unit cell have…

We study the effect of substrate induced strain on the structural, transport, optical and electronic properties of Sr$_2$CoNbO$_6$ double perovskite thin films. The reciprocal space mapping, $\phi$-scan and high-resolution…

To investigate the properties of iron-based superconductors, we examined different kinds of Josephson junctions using Co-doped Ba-122 thin films. Based on bicrystalline SrTiO3 substrates we prepared grain boundary (GB) junctions, which…

We combine the results of magnetic and transport measurements with neutron diffraction data to construct the structural and magnetic phase diagram of the entire family of SrMn$_{1-x}$Ru$_{x}$O$_3$ ($0 \leqslant x \leqslant 1$) perovskites.…

First-principles electronic structure calculations have been performed for the double perovskite Bi$_2$CoMnO$_6$ in its non-centrosymmetric polar state using generalized gradient approximation plus Hubbard U approach. We find that while Co…

First-principles density-functional calculations reveal a large spin-phonon coupling in cubic SrMnO$_{3}$, with ferromagnetic ordering producing a polar instability. Through combination of this coupling with the strain-polarization coupling…

Double perovskite Bi$_2$FeCrO$_6$, related with BiFeO$_3$, is very interesting because strong ferroelectricity and high magnetic Curie temperature beyond room temperature are observed in it. However, existing density-functional-theory (DFT)…

Magnetically-driven ferroelectric atomic displacements of the order of 10$^{-3} Angstrom have been observed in orthorhombic (perovskite like) YMnO$_3$ by a single-crystal synchrotron x-ray diffraction. The refined polar structure shows the…

The structure of BaMg1/3Ta2/3O3 (BMT) has been studied using X-ray scattering. The phonons have been measured and the results are similar to those of other materials with the perovskite structure such as PbMg1/3Nb2/3O3 (PMN). The acoustic…

We present a computational study of static and dynamic linear polarizabilities in solution. We use different theoretical approaches to describe solvent effects, ranging from quantum mechanics/molecular mechanics (QM/MM) to quantum embedding…

Using first-principles density functional theoretical analysis, we predict coexisting ferroelectric and semi-metallic states in two-dimensional monolayer of h-NbN subjected to electric field and in-plane strain ($\epsilon$). At strains…

Using first-principles calculations, we predict that tunable ferroelectricity can be realized in oxide perovskites with the Grenier structure and ordered oxygen vacancies. Specifically, we show that $R_{1/3}A_{2/3}\mathrm{FeO}_{2.67}$…

Based on density functional theory calculations and group theoretical analysis, we have studied NaLaMnWO$_{6}$ compound which has been recently synthesized [Phys. Rev. B 79, 224428 (2009)] and belongs to the $AA'BB'{\rm O}_{6}$ family of…

Two front instabilities in a reaction-diffusion system are shown to lead to the formation of complex patterns. The first is an instability to transverse modulations that drives the formation of labyrinthine patterns. The second is a…

Nanoparticles of Cr3+-substituted Ni-Zn ferrites with a general formula Ni0.4Zn0.6-xCrxFe2O4 (x = 0.0 - 0.6) have been synthesized via a facile microwave combustion route. The crystalline phase has been characterized by XRD, TEM, FT-I and…

The valence and spin state evolution of Mn and Co on TbMn$_{\rm 1-x}$Co$_{\rm x}$O$_3$ series is precisely determined by means of soft and hard x-ray absorption spectroscopy (XAS) and K$\beta$ x-ray emission spectroscopy (XES). Our results…

Microstrctural, vibrational, ferroelectric and dielectric properties investigation reveals non-stoichiometric chemical ordered regions (CORs) and relaxor like dielectric characteristics in lead magnesium niobate (PMN) ceramics uniaxially…

The structural, electronic and magnetic properties of anti-site disordered Sm$ _{2} $NiMnO$ _{6} $ double perovskite has been studied. RE$_{2}$NiMnO$_{6}$ (RE: rare-earth) ordered double perovskite is commonly believed to show two distinct…