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Correct phenomenological description of ferroelectric phase transitions in barium titanate requires accounting for eighth-order terms in the free energy expansion, in addition to the conventional sixth-order contributions. Another unusual…

Materials Science · Physics 2009-11-13 A. I. Sokolov

Multifunctional properties in quantum systems require the interaction between different degrees of freedom. As such, spin-phonon coupling emerges as an ideal mechanism to tune multiferroicity, magnetism, and magnetoelectric response. In…

The multiferroic properties of EuTiO3 are greatly enhanced when a sample is strained, signifying that coupling between strain and structural, magnetic or ferroelectric order parameters is extremely important. Here resonant ultrasound…

Materials Science · Physics 2015-03-19 J. Schiemer , L. J. Spalek , S. S. Saxena , C. Panagopoulos , T. Katsufuji , M. A. Carpenter

This research aims to investigate the synergistic effect between charge density wave, selective electron-phonon coupling under antiferromagnetic fluctuations, as well as the unusual electron distribution observed in ARPES data in YBa2Cu3Ox…

Superconductivity · Physics 2024-01-05 Chi Ho Wong , Rolf Lortz

Motivated by the absence of experimental superconductivity in the metallic Pm-3n phase of AlH3 despite the predictions, we reanalyze its vibrational and superconducting properties at pressures above 99 GPa making use of first-principles…

Superconductivity · Physics 2021-05-05 Pugeng Hou , Francesco Belli , Raffaello Bianco , Ion Errea

We consider a standard Ginzburg-Landau model of a ferroelectric whose electrical polarization is coupled to gradients of elastic strain. At the harmonic level, such flexoelectric interaction is known to hybridize acoustic and optic phonon…

Materials Science · Physics 2023-07-27 G. G. Guzmán-Verri , C. H. Liang , P. B. Littlewood

First-principles calculations were performed to investigate the ferroelectric properties of barium titanate and bismuth ferrite, as well as phonon dispersion of BaTiO3, using density functional theory and density functional perturbation…

Materials Science · Physics 2014-12-08 Hong-Jian Feng

We measured the temperature dependent infrared reflectivity spectra of MnF2 between 4 K and room temperature. We show that the phonon spectrum undergoes a strong renormalization at TN. The ab-initio calculation we performed on this compound…

Materials Science · Physics 2010-10-20 R. Schleck , Y. Nahas , R. P. S. M. Lobo , J. Varignon , M. B. Lepetit , C. S. Nelson , R. L. Moreira

The equilibrium ground-state structure of LiNbO3 in the paraelectric and ferroelectric phases is fully optimized in a first-principles calculation using the full-potential linearized augmented plane wave method. The equilibrium volume, c/a…

Materials Science · Physics 2007-05-23 A. V. Postnikov , V. Caciuc , G. Borstel

We examine the effects of strain and cation substitution on the superconducting phase of polar semiconductors near a ferroelectric quantum phase transition with a model that combines a strong coupling theory of superconductors with a…

Superconductivity · Physics 2018-11-01 J. R. Arce-Gamboa , G. G. Guzmán-Verri

The pressure- and anion-dependent electronic structure of EuX (X=Te, Se, S, O) monochalcogenides is probed with element- and orbital-specific X-ray absorption spectroscopy in a diamond anvil cell. An isotropic lattice contraction enhances…

Materials Science · Physics 2009-11-13 Narcizo M. Souza-Neto , Daniel Haskel , Yuan-Chieh Tseng , Gerard Lapertot

Future quantum computing architectures require electro-optic materials that maintain a strong, stable performance at cryogenic temperatures. In conventional electro-optic materials, large electro-optic coefficients are often confined to…

We investigate the temperature dependence of the frequency and linewidth of the triply-degenerate T$_{2g}$ zone-centered optical phonon in flux-grown ceria and hydrothermally-synthesized thoria single crystals from room temperature to 1273…

We have carried out temperature and pressure-dependent Raman and x-ray measurements on single crystals of Tb$_2$Ti$_2$O$_7$. We attribute the observed anomalous temperature dependence of phonons to phonon-phonon anharmonic interactions. The…

We present a comparative far-infrared reflection spectroscopy study of phonons, phase transitions, spin-phonon and electron-phonon interactions in isostructural multiferroic iron borates of gadolinium and terbium. The behavior of phonon…

Strongly Correlated Electrons · Physics 2016-03-02 S. A. Klimin , A. B. Kuzmenko , M. A. Kashchenko , M. N. Popova

In this work we present a detailed study of the structural and lattice dynamic properties of Y-doped EuMnO3 ceramics (Eu1-xYxMnO3, with 0<x<0.55). A thorough analysis towards the correlation between both structural and Raman modes…

Hafnia (HfO2) is a silicon-compatible dielectric material, yet stabilizing its desired but metastable ferroelectric phase remains challenging. Phase stability predictions by density functional theory (DFT) have provided crucial guidance,…

Materials Science · Physics 2026-04-21 Yiheng Shen , Chang Liu , Wei Xie , Wei Ren

We measured phonon dispersion in single crystal EuTiO$_3$ using inelastic x-ray scattering. A structural transition to an antiferrodistortive phase was found at a critical temperature $T_0$=287$\pm$1 K using powder and single-crystal x-ray…

Strongly Correlated Electrons · Physics 2015-06-11 David S. Ellis , Hiroshi Uchiyama , Satoshi Tsutsui , Kunihisa Sugimoto , Kenichi Kato , Daisuke Ishikawa , Alfred Q. R. Baron

Raman scattering measurements on BiFeO3 single crystals show an important coupling between the magnetic order and lattice vibrations. The temperature evolution of phonons shows that the lowest energy E and A1 phonon modes are coupled to the…

Strongly Correlated Electrons · Physics 2010-10-12 P. Rovillain , M. Cazayous , Y. Gallais , A. Sacuto , R. P. S. M. Lobo , D. Lebeugle , D. Colson

The coupling between localized spins and phonons can lead to shifts in the dielectric constant of insulating materials at magnetic ordering transitions. Studies on isostructural SeCuO3 (ferromagnetic) and TeCuO3 (antiferromagnetic)…

Materials Science · Physics 2009-04-14 G. Lawes , T. Kimura , C. M. Varma , M. A. Subramanian , R. J. Cava , A. P. Ramirez