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Inelastic neutron scattering measurements on the molecular dimer-Mott insulator $\kappa$-(BEDT-TTF)$_{2}$Cu[N(CN)$_{2}$]Cl reveal a phonon anomaly in a wide temperature range. Starting from $T_{\rm ins}\sim50$-$60$ K where the charge gap…

We report ab-inito density functional theory calculation of phonons in cubic phase of ZrW2O8 in the entire Brillouin zone and identify specific anharmonic phonons that are responsible for large negative thermal expansion (NTE) in terms of…

Materials Science · Physics 2015-06-15 M. K. Gupta , R. Mittal , S. L. Chaplot

Shape-memory alloys exhibit a solid-to-solid phase transition that involves a temperature-driven rearrangement of their crystal structure and is responsible for their remarkable properties and numerous technological applications. Here, we…

Materials Science · Physics 2025-08-01 Carlo Andrea Rozzi , Annamaria Lisotti , Guido Goldoni , Valentina De Renzi

It is well known that conventional harmonic lattice dynamics cannot be applied to energetically unstable crystals at 0 K, such as high temperature body centered cubic (BCC) phase of crystalline Zr. Predicting phonon spectra at finite…

Materials Science · Physics 2019-01-02 Xin Qian , Ronggui Yang

We present a Raman scattering study of Ca$_2$RuO$_4$, in which we investigate the temperature-dependence of the lattice dynamics and the electron-phonon interaction below the metal-insulator transition temperature ({\it T}$_{\rm MI}$).…

Strongly Correlated Electrons · Physics 2009-11-11 H. Rho , S. L. Cooper , S. Nakatsuji , H. Fukazawa , Y. Maeno

Zn(CN)2 and Ni(CN)2 are known for exhibiting anomalous thermal expansion over a wide temperature range. The volume thermal expansion coefficient for the cubic, three dimensionally connected material, Zn(CN)2, is negative ({\alpha}V = -51 x…

Materials Science · Physics 2015-05-20 R Mittal , M. Zbiri , H. Schober , E Marelli , S. J. Hibble , A. M. Chippindale , S. L Chaplot

Following previous works reporting an anomalous behavior of several zone-center optical phonons across the magnetic transition of square lattice iridates Sr2IrO4 and Sr3Ir2O7, we have investigated the lattice dynamics as a function of…

Strongly Correlated Electrons · Physics 2022-02-02 K. Sen , R. Heid , S. M. Souliou , D. Boll , A. Bosak , N. H. Sung , J. Bertinshaw , H. Gretarsson , B. J. Kim , F. Weber , M. Le Tacon

We report inelastic light scattering experiments on CaFe_2As_2 in the temperature range of 4 to 290 K. In in-plane polarizations two Raman-active phonon modes are observed at 189 and 211 cm-1, displaying A_1g and B_1g symmetries,…

Superconductivity · Physics 2009-11-13 K. -Y. Choi , D. Wulferding , P. Lemmens , N. Ni , S. L. Bud'ko , P. C. Canfield

The THz spectrum of density fluctuations, $S(Q, \omega)$, of vitreous GeO$_2$ at ambient temperature was measured by inelastic x-ray scattering from ambient pressure up to pressures well beyond that of the known $\alpha$-quartz to rutile…

An anisotropic lattice anomaly near the superconducting transition temperature, Tc, was observed in MgB2 by high-resolution neutron powder diffraction. The a-axis thermal expansion becomes negative near Tc, while the c-axis thermal…

Superconductivity · Physics 2007-05-23 J. D. Jorgensen , D. G. Hinks , P. G. Radaelli , W. I. F. David , R. M. Ibberson

We use variable-temperature x-ray thermal diffuse scattering and inelastic scattering to investigate the lattice dynamics in single crystals of multiferroic CaMn7O12 which undergo a series of orbital and magnetic transitions at low…

Strongly Correlated Electrons · Physics 2016-11-24 S. M. Souliou , Y. Li , X. Du , M. Le Tacon , A. Bosak

Comprehensive inelastic neutron-scattering measurements were performed to study the soft optical phonons in La2-xSrxCuO4 at x=0.10, 0.12 and 0.18. We found at x=0.18 that the softening of Z-point phonon, suggesting incipient structural…

Superconductivity · Physics 2009-10-31 H. Kimura , K. Hirota , C. H. Lee , K. Yamada , G. Shirane

The thermal memory effect, TME, has been studied in Ni55Fe19Ga26 shape memory alloys, fabricated as ribbons via melt-spinning and as pellets via arc-melting, to evaluate its dependence on the martensitic structure and the macrostructure of…

Shape memory alloys inherit their macroscopic properties from their mesoscale microstructure originated from the martensitic phase transformation. In a cubic to orthorhombic transition, a single variant of marten- site can have a compatible…

Materials Science · Physics 2020-09-23 Oguz Umut Salman , Alphonse Finel , Remi Delville , Dominique Schryvers

SrTiO$_3$ has been extensively investigated owing to its abundant degrees of freedom for modulation. However, the microscopic mechanism of thermal transport especially the relationship between phonon scattering and lattice distortion during…

Materials Science · Physics 2023-03-15 Jian Han , Changpeng Lin , Ce-wen Nan , Yuan-hua Lin , Ben Xu

A drastic variation (~47%) in thermal conductivity (\k{appa}) for synthesized samples (TiCoSb1+x, x=0.0, 0.01, 0.02, 0.03, 0.04, and 0.06) is observed. The lowest \k{appa} is reported for the TiCoSb1.02 sample. Thermal variation of \k{appa}…

Single-crystal diffuse scattering data have been collected at room temperature on synthetic titanite using both neutrons and high-energy X-rays. A simple ball-and-springs model reproduces the observed diffuse scattering well, confirming its…

Materials Science · Physics 2013-07-12 M. J. Gutmann , K. Refson , M. v. Zimmermann , I. P. Swainson , A. Dabkowski , H. Dabkowska

We report a comprehensive Raman study of the phonon behaviour in PdSe$_2$ in the temperature range of 5 K to 300 K. A remarkable change in the Raman spectrum is observed at 120 K: a significant enhancement of the out-of-plane phonon…

The caged compound LaRu2Zn20 exhibits a structural transition at TS =150 K, whose driving mechanism remains elusive. We have investigated atomic dynamics by the measurements of specific heat C and inelastic X-ray scattering (IXS). The…

Strongly Correlated Electrons · Physics 2017-05-18 K. Wakiya , T. Onimaru , S. Tsutsui , K. T. Matsumoto , N. Nagasawa , A. Q. R. Baron , T. Hasegawa , N. Ogita , M. Udagawa , T. Takabatake

We report a comprehensive investigation of the lattice dynamics of URu$_2$Si$_2$ as a function of temperature using Raman scattering, optical conductivity and inelastic neutron scattering measurements as well as theoretical {\it ab initio}…