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Perovskite structured materials contain myriad tunable ordered phases of electronic and magnetic origin with proven technological importance and strong promise for a variety of energy solutions. An always-contributing influence beneath…

We characterize perovskite TiF_3, a material which displays significant negative thermal expansion at elevated temperatures above its cubic-to-rhombohedral structural phase transition at 330 K. We find the optical response favors an…

The empty perovskite ScF3 exhibits negative thermal expansion up to 1100 K. We demonstrate that ab-initio calculations of temperature-dependent effective phonon spectra allow to quantitatively describe the behavior of this compound and the…

Materials Science · Physics 2016-08-03 Ambroise van Roekeghem , Jesús Carrete , Natalio Mingo

We investigated the temperature evolution of crystal structure of orthorhombic CoZr3, which is a superconductor with a transition temperature of 4.3 K, by synchrotron and laboratory (CuK{\alpha}) X-ray diffraction. Uniaxial negative thermal…

Negative thermal expansion (NTE) describes the anomalous propensity of materials to shrink when heated. Since its discovery, the NTE effect has been found in a wide variety of materials with an array of magnetic, electronic and structural…

Materials Science · Physics 2018-11-09 Connor A. Occhialini , G. G. Guzmán-Verri , Sahan U. Handunkanda , Jason N. Hancock

Negative thermal expansion (NTE) is unusual but important property for control of thermal expansion. In the present study, the chemical modification is utilized to engineer controllable thermal expansion in cubic NTE ScF3. A broad window of…

Materials Science · Physics 2016-12-09 Xiaojian Wang , Jun Chen , Fei Han , Yang Ren , Tao Wang , Jinxia Deng , Xianran Xing

We report the synthesis and structural characterisation of the molecular framework copper(I) hexacyanocobaltate(III), Cu$_3$[Co(CN)$_6$], which we find to be isostructural to H$_3$[Co(CN)$_6$] and the colossal negative thermal expansion…

The anomalous thermal expansion in a layered 3$d$-5$d$ based triple perovskite iridate Ba$_{3}$CoIr$_{2}$O$_{9}$ is investigated using high resolution synchrotron diffraction. Below the magneto-structural transition at 107\,K, the onset of…

Strongly Correlated Electrons · Physics 2021-04-21 Charu Garg , Antonio Cervellino , Sunil Nair

We have devised an isotropic interaction potential that gives rise to negative thermal expansion (NTE) behavior in equilibrium many-particle systems in both two and three dimensions over a wide temperature and pressure range (including zero…

Materials Science · Physics 2008-07-24 Mikael C. Rechtsman , Frank H. Stillinger , Salvatore Torquato

In this work, we show that the CuAl2-type superconductor CoZr2 and alloyed systems exhibit anomalous thermal expansion in a wide temperature range. We performed neutron powder diffraction and X-ray powder diffraction on CoZr2 and observed…

Materials Science · Physics 2022-09-23 Yoshikazu Mizuguchi , Md. Riad Kasem , Yoichi Ikeda

We use a symmetry-motivated approach to analysing X-ray pair distribution functions to study the mechanism of negative thermal expansion in two ReO$_3$-like compounds; ScF$_3$ and CaZrF$_6$. Both average and local structure suggest that it…

Materials Science · Physics 2020-02-26 Tobias Bird , Jessica Woodland-Scott , Lei Hu , Michael Wharmby , Jun Chen , Andrew Goodwin , Mark Senn

CsSnI3 is a promising eco-friendly solution for energy harvesting technologies. It exists at room temperature in either a black perovskite polymorph or a yellow 1D double-chain, which irreversibly deteriorates in the air. In this work, we…

Materials Science · Physics 2023-02-10 Lorenzo Monacelli , Nicola Marzari

The discovery of unusual negative thermal expansion (NTE) provides the opportunity to control the common but much desired property of thermal expansion, which is valuable not only in scientific interests but also in practical applications.…

Negative thermal expansion (NTE) - the phenomenon where some materials shrink rather than expand when heated - is both intriguing and useful, but remains poorly understood. Current understanding hinges on the role of specific vibrational…

Materials Science · Physics 2020-09-23 Martin T Dove , Juan Du , Zhongsheng Wei , David A Keen , Matthew G Tucker , Anthony E Phillips

The fluorine-doped rare-earth iron oxypnictide series SmFeAsO$_{1-x}$F$_x$ (0 $\leq x \leq$ 0.10) was investigated with high resolution powder x-ray scattering. In agreement with previous studies, the parent compound SmFeAsO exhibits a…

Superconductivity · Physics 2018-02-26 H. D. Zhou , P. M. Sarte , B. S. Conner , L. Balicas , C. R. Wiebe , X. H. Chen , T. Wu , G. Wu , R. H. Liu , H. Chen , D. F. Fang

The microscopic origin of the large negative thermal expansion of cubic scandium trifluorides (ScF3) is investigated by performing a set of anharmonic free-energy calculations based on density functional theory. We demonstrate that the…

Materials Science · Physics 2019-03-13 Yusuke Oba , Terumasa Tadano , Ryosuke Akashi , Shinji Tsuneyuki

The low-energy part of the vibration spectrum in KNbO$_3$ was studied by cold neutron inelastic scattering in the cubic phase. In addition to acoustic phonons, we observe strong diffuse scattering, which consists of two components. The…

Materials Science · Physics 2007-05-23 S. N. Gvasaliya , B. Roessli , R. A. Cowley , S. G. Lushnikov , A. Choubey , P. Gunter

Negative thermal expansion is an unusual phenomenon appearing in only a handful of materials, but pursuit and mastery of the phenomenon holds great promise for applications across disciplines and industries. Here we report use of X-ray…

Strongly Correlated Electrons · Physics 2020-04-01 D. G. Mazzone , M. Dzero , M. Abeykoon , H. Yamaoka , H. Ishii , N. Hiraoka , J. P. Rueff , J. Ablett , K. Imura , H. S. Suzuki , J. N. Hancock , I. Jarrige

Powder X-ray diffraction (PXRD) and single-crystal neutron scattering were used to study in detail the structural properties of the Cs2CuCl(4-x)Br(x) series, good realizations of layered triangular antiferromagnets. Detailed…

Recently, uniaxial negative thermal expansion (NTE) has been observed in transition-metal zirconides including tetragonal (CuAl2-type) CoZr2 and orthorhombic (Re3B-type) CoZr3. Here, we report the observation of uniaxial NTE in tetragonal…

Materials Science · Physics 2023-06-14 Yoshikazu Mizuguchi
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