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Related papers: Superstructure reflexions in tilted perovskites pa…

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Distinct shortcomings of individual halide perovskites for solar applications, such as restricted range of band gaps, propensity of ABX3 to decompose into AX+BX2, or oxidation of 2ABX3 into A2BX6 have led to the need to consider alloys of…

Materials Science · Physics 2018-12-31 Gustavo M. Dalpian , Xingang Zhao , Lawrence Kazmerski , Alex Zunger

This paper approaches, using structural complexity theory, the question of whether there is a chasm between knowing an object exists and getting one's hands on the object or its properties. In particular, we study the nontransparency of…

Artificial Intelligence · Computer Science 2019-01-15 Lane A. Hemaspaandra , David E. Narváez

Ferroelectric-dielectric superlattices have attracted renewed interest for their ability to frustrate the polar order, leading to the emergence of exotic polar textures. The electrostatic depolarization, thought to be responsible for the…

Materials Science · Physics 2024-08-16 Ran Xu , Francesco Delodovici , Brahim Dkhil , Charles Paillard

Supersolidity -- a quantum-mechanical phenomenon characterized by the presence of both superfluidity and crystalline order -- was initially envisioned in the context of bulk solid helium, as a possible answer to the question of whether a…

We have fabricated PbTiO$_{3}$/SrRuO$_{3}$ superlattices with ultra-thin SrRuO$_{3}$ layers. Due to the superlattice geometry, the samples show a large anisotropy in their electrical resistivity, which can be controlled by changing the…

Materials Science · Physics 2015-06-03 S. J. Callori , J. Gabel , D. Su , J. Sinsheimer , M. V. Fernandez-Serra , M. Dawber

We report on the growth and properties of high quality bicolor oxide superlattices, composed of two perovskites out of BaTiO3, CaTiO3, and SrTiO3. The artificially grown superlattices are structurally unique and have a macroscopically…

This manuscript presents a working model linking chemical disorder and transport properties in correlated-electron perovskites with high-entropy formulations and a framework to actively design them. We demonstrate this new learning in…

A key property that drives research in ferroelectric perovskite oxides is their strong piezoelectric response in which an electric field is induced by an applied strain, and vice-versa for the converse piezoelectric effect. We have achieved…

Materials Science · Physics 2015-06-11 J. Sinsheimer , S. J. Callori , B. Bein , Y. Benkara , J. Daley , J. Coraor , D. Su , P. W. Stephens , M. Dawber

The recent observation of superconductivity in Nd$_{0.8}$Sr$_{0.2}$NiO$_{2}$ calls for further investigation and optimization of the synthesis of this metastable infinite-layer nickelate structure. Here, we present our current understanding…

X-ray diffraction, dynamical mechanical analysis and infrared reflectivity studies revealed an antiferrodistortive phase transition in EuTiO3 ceramics. Near 300K the perovskite structure changes from cubic Pm-3m to tetragonal I4/mcm due to…

Nonlinear response in a material increases with its index of refraction as $n^4$. Commonly, $n \sim$ 1 so that diffraction, dispersion, and chromatic walk-off limit nonlinear scattering. Ferroelectric crystals with a periodic 3D…

We present first-principles calculations of the structural phase behavior of the [1:1] \pzta\ superlattice and the \ptoa\ and \pzoa\ parent compounds as a function of in-plane epitaxial strain. A symmetry analysis is used to identify the…

Materials Science · Physics 2013-05-29 Jeroen L. Blok , Karin M. Rabe , David Vanderbilt , Dave H. A. Blank , Guus Rijnders

We uncover a strong coupling between nonlinearity and diffraction in a photonic crystal at the supercollimation point. We show this is modeled by a nonlinear diffraction term in a nonlinear schroedinger type equation, in which the…

Instability of hybrid organic-inorganic halide perovskites hinders their development for photovoltaic applications. First-principle calculations are used for evaluation of a decomposition reaction enthalpy of hybrid halide perovskites,…

Materials Science · Physics 2017-06-19 Chao Zheng , Oleg Rubel

Single crystal neutron diffraction is combined with synchrotron x-ray scattering to identify the different superlattice phases present in $Cs_{0.8}Fe_{1.6}Se_2$. A combination of single crystal refinements and first principles modelling are…

A systematic analysis of resonant x-ray Bragg diffraction data for UPd$_3$, with signal enhancement at the U M$_{IV}$ edge, including possible structural phase-transitions leads to a new determination of the space groups of the material in…

Strongly Correlated Electrons · Physics 2014-05-22 Javier Fernandez-Rodriguez , Stephen W. Lovesey , Jesus A. Blanco

We report investigation of structural phase transitions in technologically important material sodium niobate as a function of temperature on heating over 300-1075 K. Our high resolution powder neutron diffraction data show variety of…

Materials Science · Physics 2015-05-20 S. K. Mishra , R. Mittal , V. Yu. Pomjakushin , S. L. Chaplot

Properties of (BaTiO$_3$)$_1$/(BaZrO$_3$)$_n$ ferroelectric superlattices (SLs) with $n = {}$1--7 grown in the [001] direction are calculated from first principles within the density functional theory. It is revealed that the…

Materials Science · Physics 2013-06-20 Alexander I. Lebedev

A macroscopic characterization of fractals showing up a structural transition from dense to multibranched growth is made using optical diffraction theory. Such fractals are generated via the numerical solution of the 2D Poisson and…

Condensed Matter · Physics 2009-10-22 F. Perez-Rodriguez , Wei Wang , E. Canessa

The effect of epitaxial strain on structural, magnetic and electronic properties of BaFeO 3 per- ovskite oxide are investigated from first principles calculations, using the Density Functional The- ory (DFT) plus the Hubbard approach…

Materials Science · Physics 2017-10-31 Imene Cherair , Eric Bousquet , Michael Marcus Schmitt , Nadia Iles , Abdelhafid Kellou