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Oxygen vacancy ordering in perovskite-type transition-metal oxides plays an important role in the emergence of exotic electronic properties, as typified by superconducting cuprates. In this study, we predict the stability of…

计算物理 · 物理学 2020-04-15 Atsuto Seko , Shintaro Ishiwata

The layered perovskite YBaCuFeO5 (YBCFO) is able to adopt chiral magnetic order up to unexpectedly high temperatures, paving the way to strong magnetoelectric coupling at room temperature. In this perovskite A-site cations are fully ordered…

Although crystalline solids are characterized by their periodic structures, some are only periodic on average and deviate on a local scale. Distinct local orderings can exist with identical periodic structures making their differences…

Polarized and unpolarized neutron diffraction has been used to search for magnetic order in YBa$_2$Cu$_3$O$_{6+x}$ superconductors. Most of the measurements were made on a high quality crystal of YBa$_2$Cu$_3$O$_{6.6}$. It is shown that…

超导电性 · 物理学 2009-11-07 H. A. Mook , Pengcheng Dai , S. M. Hayden , A. Hiess , J. W. Lynn , S. -H. Lee , F. Dogan

Designing and understanding functional electronic and magnetic properties in perovskite oxides requires controlling and tuning the underlying crystal lattice. Here we report the structure, including oxygen and cation positions, of a…

We present a simple ionic model which successfully reproduces the various types of compositional long-range order observed in a large class of complex insulating perovskite alloys. The model assumes that the driving mechanism responsible…

材料科学 · 物理学 2009-10-31 L. Bellaiche , David Vanderbilt

The effects of local B-cation (Ti, Zr) distribution and octahedral tilting on the pre-edge structure in the Ti X-ray absorption K-spectra of the CaTi1-xZrxO3 perovskite solid solutions were investigated. Experimental spectra for the…

材料科学 · 物理学 2009-11-11 V. Krayzman , I. Levin , J. C. Woicik , D. Yoder , D. A. Fischer

CaxCu3Ti4O12 polycrystalline powders with variation in calcium content were prepared via the oxalate precursor route. The structural, morphological and dielectric properties of the ceramics fabricated using these powders were studied using…

材料科学 · 物理学 2013-01-18 P. Thomas , K. Dwarakanath , K. B. R. Varma

We report and compare the structural, magnetic, and optical properties of ordered La2NiMnO6 thin films and its disordered LaNi0.5Mn0.5O3 counterpart. An x-ray diffraction study reveals that the B-site Ni/Mn ordering induces additional XRD…

材料科学 · 物理学 2015-05-13 M. P. Singh , K. D. Truong , S. Jandl , P. Fournier

Perovskite-type iron oxides with Fe4+ ions have attracted much attention for their versatile helimagnetic phases. While the introduction of a layered A-site ordered structure to AFeO3 with Fe4+ ions potentially lead to novel helimagnetic…

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.…

材料科学 · 物理学 2009-11-13 S. Kolesnik , B. Dabrowski , O. Chmaissem

Realistic, first-principles-based interatomic potentials have been used in molecular dynamics simulations to study the effect of cation composition on the ionic conductivity in the Zr2Y2O7-Y3NbO7 system and to link the dynamical properties…

化学物理 · 物理学 2009-09-09 Dario Marrocchelli , Paul A Madden , Stefan T Norberg , Stephen Hull

We point to a class of materials representing an exception to the Daltonian view that compounds maintain integer stoichiometry at low temperatures, because forming stoichiometry-violating defects cost energy. We show that carriers in the…

We report investigations of the structural, magnetic, electrical transport and thermal properties of five compositions of the metallic perovskite GdRh$_3$C$_{1-x}$B$_x$ ($0.00 \le x \le 1.00$). Our results show that all the five…

Recent experiments have synthesized Cs2AgBi2I9 by partially substituting Cs+ with Ag+ at the A-site of Cs3Bi2I9, resulting in enhanced charge transport properties compared to Cs3Bi2I9. However, the atomic-scale mechanisms behind this…

材料科学 · 物理学 2025-03-05 Shuhan Li , Siyu Song , Peng Lv , Shihao Wang , Jiawang Hong , Gang Tang

The B-site ordered double perovskite Ba2CaOsO6 was studied by d.c. magnetic susceptibility, powder neutron diffraction and muon spin relaxation methods. The lattice parameter is a = 8.3619(6) A at 280K and cubic symmetry (Fm-3m) is retained…

The dynamical properties of free and bound domain-wall excitations in Ising-chain materials have recently become the focus of intense research interest. New materials and spectrometers have made it possible to control the environment of…

Measurements of the electrical and thermal conductivities, thermopower and paramagnetic susceptibility have been performed on single crystal samples of Bi1/2Sr1/2MnO3 and complemented with the X-ray powder diffraction data. A pronounced…

强关联电子 · 物理学 2009-11-07 J. Hejtmanek , K. Knizek , Z. Jirak , M. Hervieu , C. Martin , M. Nevriva , P. Beran

First principles computations of Raman intensities were performed for perovskite-family compound CaAl$_{1/2}$Nb$_{1/2}$O$_3$ (CAN). This compound features 1:1 (NaCl-type) ordering of Al and Nb superimposed onto the $b^-b^-c+$ octahedral…

材料科学 · 物理学 2009-11-10 S. A. Prosandeev , U. Waghmare , I. Levin , J. Maslar

This is the first study of the effect of pressure on transition metal dichalcogenides intercalated by atoms that order magnetically. Co$_{1/3}$NbS$_2$ is a layered system where the intercalated Co atoms order antiferromagnetically at T$_N$…