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We have carried out systematic temperature-dependent neutron diffraction measurements in conjunction with dielectric spectroscopy from 6 to 300 K for sodium niobate based compounds (1-x) NaNbO3 -xBaTiO3 (NNBTx). The dielectric constant is…

Materials Science · Physics 2018-05-23 S. K. Mishra , Mrinal Jauhari , R. Mittal , P. S. R. Krishna , V. R. Reddy , S. L. Chaplot

We present a first-principles investigation of structural and elastic properties of experimentally observed phases of bulk SrRuO$_3$ - namely orthorhombic, tetragonal, and cubic - by applying density functional theory (DFT) approximations.…

Materials Science · Physics 2016-10-11 Š. Masys , V. Jonauskas

We have investigated the temperature dependence of the crystal structure of quasi-one-dimensional monoclinic BaIrO$_3$ using X-ray diffraction. Diffraction patterns were measured across a temperature range from 13 K to 300 K, with 5-degree…

Materials Science · Physics 2025-11-07 Jeong Jinwon , Chang Bin , Noh Han-Jin , Lee Seongsu

Perovskite photovoltaic ABX$_3$ systems are being studied due to their high energy-conversion efficiencies with current emphasis placed on pure inorganic systems. In this work, synchrotron single-crystal diffraction measurements combined…

Despite the tremendous interest in halide perovskites in solar cells, the reason that the all-inorganic perovskite CsPbI$_3$ is unstable at room temperature remains mysterious. Here single-crystal X-ray diffraction and powder pair…

Materials Science · Physics 2020-07-08 Daniel B. Straus , Shu Guo , Milinda Abeykoon , Robert J. Cava

We study the structural and bulk superconducting properties of self flux grown PdBi2Te3 single crystal. Phase purity of as grown crystal is confirmed by Rietveld refinement of gently crushed powder XRD of the same. PdBi2Te3 crystallizes in…

Superconductivity · Physics 2019-12-23 M. M. Sharma , Lina Sang , Poonam Rani , X. L. Wang , V. P. S. Awana

We report structural and magnetic properties studies of large high quality single-crystals of the frustrated magnet, Nd$_2$Zr$_2$O$_7$. Powder x-ray diffraction analysis confirms that Nd$_2$Zr$_2$O$_7$ adopts the pyrochlore structure.…

Strongly Correlated Electrons · Physics 2015-05-18 M. Ciomaga Hatnean , M. R. Lees , O. A. Petrenko , D. S. Keeble , G. Balakrishnan , M. J. Gutmann , V. V. Klekovkina , B. Z. Malkin

We have carried out bulk-sensitive hard x-ray photoelectron spectroscopy (HAXPES) measurements on in-situ cleaved and ex-situ polished SmB6 single crystals. Using the multiplet-structure in the Sm 3d core level spectra, we determined…

Motivated by the experimental synthesis of two-dimensional (2D) perovskite materials, we study the stability of 2D SrTiO$_3$ from first principles. We find that the TiO$_6$ octahedral rotations emerge in 2D SrTiO$_3$ with a rotation angle…

Materials Science · Physics 2023-10-27 Shota Ono , Yu Kumagai

In this letter, we report growth and characterization of bulk Bi2Se3 single crystals. The studied Bi2Se3 crystals are grown by self flux method through solid state reaction from high temperature (950C) melt of constituent elements and slow…

Under normal conditions, bulk crystals of BiScO$_3$ , BiCrO$_3$, BiMnO$_3$, BiFeO$_3$, and BiCoO$_3$ present three very different variations of the perovskite structure: an antipolar phase, a rhombohedral phase with a large polarization…

Materials Science · Physics 2018-11-07 Akansha Singh , Viveka N. Singh , Enric Canadell , Jorge Íñiguez , Oswaldo Diéguez

A surface layer ("skin") that is functionally and structurally different from the bulk was found in single crystals of BiFeO3. Impedance analysis indicates that a previously reported anomaly at T* ~ 275 \pm 5 ^/circC corresponds to a phase…

Materials Science · Physics 2015-05-20 X. Marti , P. Ferrer , J. Herrero-Albillos , J. Narvaez , V. Holy , N. Barrett , M. Alexe , G. Catalan

We report the single-crystal X-ray analysis and magnetic properties of a new double-layered perovskite antiferromagnet, Cs$_3$Cu$_2$Cl$_4$Br$_3$. This structure is composed of Cu$_2$Cl$_4$Br$_3$ double layers with elongated CuCl$_4$Br$_2$…

Strongly Correlated Electrons · Physics 2015-06-25 F. Yamada , T. Ono , H. Tanaka , J. Yamaura

The structure of dielectric perovskite BaZrO$_3$, long known to be cubic at room temperature without any structural phase transition with variation of temperature, has been recently disputed to have different ground state structures with…

Materials Science · Physics 2022-06-29 Dong-Hyeon Gim , Yeahan Sur , Yoon Han Lee , Jeong Hyuk Lee , Soonjae Moon , Yoon Seok Oh , Kee Hoon Kim

Oxynitrides with the perovskite structure are promising candidates for photocatalysis under visible light due to their appropriate optical and electronic properties. Recently, layered perovskites have attracted attention for their improved…

Materials Science · Physics 2018-02-12 Maria Bouri , Ulrich Aschauer

Due to the strong lattice-property relationships which exist in complex oxide epitaxial layers, their electronic and magnetic properties can be modulated by structural distortions induced at the atomic scale. The modification and control…

One-dimensional organo-metal halide Perovskite (CH3NH3PbI3) nanorods whose diameter and length are dictated by the inner size of porous silicon nanotube templates have been grown, characterized and compared to bulk perovskites in the form…

Mesoscale and Nanoscale Physics · Physics 2017-03-01 Neta Arad-Vosk , Naama Rozenfeld , Roberto Gonzalez-Rodriguez , Jeffery L. Coffer , Amir Saar

We report a temperature-dependent neutron diffraction (ND) study on polycrystalline monoclinic BaIrO$_3$ which is famous for charge density wave (CDW) and weak ferromagnetic phase transitions at T$_C$$\sim$180 K simultaneously. A Rietveld…

Strongly Correlated Electrons · Physics 2023-08-17 Bin Chang , Jinwon Jeong , Han-Jin Noh , Seongsu Lee

The complex perovskite Pb2CoTeO6 (PCTO) has been prepared as polycrystalline powders by solid state reaction route, and the crystal structure and magnetic properties have been investigated using a combination of X-ray and neutron powder…

Materials Science · Physics 2010-12-01 S. A. Ivanov , P. Nordblad , R. Mathieu , R. Tellgren , C. Ritter

We suceeded in the preparation of polycrystalline Ca_2FeReO_6 which has a Curie temperature of 540 K, the highest value of all magnetic perovskites investigated up to now. This material has been characterised by X-ray and neutron powder…

Materials Science · Physics 2007-05-23 W. Westerburg , O. Lang , C. Felser , W. Tremel , M. Waldeck , F. Renz , P. Guetlich , C. Ritter , G. Jakob