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The perovskite ruthenates (ARuO3, A = Ca, Ba, or Sr) exhibit unique properties owing to a subtle interplay of crystal structure and electronic-spin degrees of freedom. Here, we demonstrate an intriguing continuous tuning of crystal symmetry…

We report a Raman study of the effect of temperature on the self-energies of optical phonons in a number of transition metals with hexagonal-close-packed structure. Anisotropic softening of phonon energies and narrowing of phonon linewidths…

Materials Science · Physics 2017-01-04 Yu. S. Ponosov , S. V. Streltsov

We investigate the influence of three- and four-phonon scattering, perturbative anharmonic phonon renormalization, and off-diagonal terms of coherent phonons on the thermal conductivity of CsPbBr3 phase change perovskite, by using advanced…

Materials Science · Physics 2023-06-27 Xiaoying Wang , Zhibin Gao , Guimei Zhu , Jie Ren , Lei Hu , Jun Sun , Xiangdong Ding , Yi Xia , Baowen Li

We explore a novel coupling mechanism of electrons with the transverse optical (TO) phonon branch in a regime when the TO mode becomes highly anharmonic and drives the ferroelectric phase transition. We show that this anharmonicity, which…

Strongly Correlated Electrons · Physics 2020-03-04 P. Chudzinski

Raman scattering in the three-dimensional Dirac semimetal Cd3As2 shows an intricate interplay of electronic and phonon degrees of freedom. We observe resonant phonon scattering due to interband transitions, an anomalous anharmonicity of…

Materials Science · Physics 2017-07-05 A. Sharafeev , V. Gnezdilov , R. Sankar , F. C. Chou , P. Lemmens

Dielectric and magnetic properties of Eu0.5Ba0.25Sr0.25TiO3 are investigated between 10 K and 300 K in the frequency range from 10 Hz to 100 THz. A peak in permittivity revealed near 130 K and observed ferroelectric hysteresis loops prove…

Materials Science · Physics 2012-10-12 Veronica Goian , Stanislav Kamba , Premysl Vanek , Maxim Savinov , Christelle Kadlec , Jan Prokleska

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…

Non-centrosymmetric EuTGe3 (T=Co, Ni, Rh, and Ir) possesses magnetic Eu2+ ions and antiferromagnetic ordering appears at low temperatures. Transition metal substitution leads to changes of the unit cell volume and of the magnetic ordering.…

We present the electrodynamic response of TiOBr, which undergoes a transition to a spin-singlet ground state for temperatures below T$_{C1}=28$ K. The temperature evolution of the phonon anomalies indicates, like in \cl, an extended…

Materials Science · Physics 2009-11-10 G. Caimi , L. Degiorgi , P. Lemmens , F. C. Chou

We determine the nature of coupled phonons and magnetic excitations in AlFeO3 using inelastic light scattering from 5 K to 315 K covering a spectral range from 100-2200 cm-1 and complementary first-principles density functional theory-based…

Strongly Correlated Electrons · Physics 2012-05-01 Pradeep Kumar , A. Bera , D. V. S. Muthu , S. N. Shirodkar , R. Saha , A. Shireen , A. Sundaresan , U. V. Waghmare , A. K. Sood , C. N. R. Rao

All phonons in a single crystal of NaBr were measured by inelastic neutron scattering at temperatures of 10, 300 and 700 K. Even at 300 K the phonons, especially the longitudinal-optical (LO) phonons, showed large shifts in frequencies, and…

Materials Science · Physics 2020-08-26 Y. Shen , C. N. Saunders , C. M. Bernal , D. L. Abernathy , M. E. Manley , B. Fultz

The detailed temperature dependence of the infrared-active mode in Fe$_{1.03}$Te ($T_N\simeq 68$ K) and Fe$_{1.13}$Te ($T_N\simeq 56$ K) has been examined, and the position, width, strength, and asymmetry parameter determined using an…

Strongly Correlated Electrons · Physics 2016-05-18 C. C. Homes , Y. M. Dai , J. Schneeloch , R. D. Zhong , G. D. Gu

Quest for new states of matter near an ordered phase is a promising route for making modern physics forward. By probing thermal properties of a ferroelectric (FE) crystal Ba1-xSrxAl2O4, we have clarified that low-energy excitation of…

Materials Science · Physics 2021-04-06 Y. Ishii , A. Yamamoto , N. Sato , Y. Nambu , S. Ohira-Kawamura , N. Murai , T. Mori , S. Mori

The effects of off-stoichiometry and elemental substitution on electronic properties of iron-based ladder compound BaFe$_{2}$S$_{3}$ are investigated. Resistivity and magnetization are revealed to be quite sensitive to the stoichiometry of…

Strongly Correlated Electrons · Physics 2015-07-23 Yasuyuki Hirata , Sachiko Maki , Jun-ichi Yamaura , Touru Yamauchi , Kenya Ohgushi

Phonon-phonon anharmonic effects have a strong influence on the phonon spectrum; most prominent manifestation of these effects are the softening (shift in frequency) and broadening (change in FWHM) of the phonon modes at finite temperature.…

Oxygen vacancies (VOs) effects on magnetic ordering in Eu0.5Ba0.5TiO3-{\delta} (EBTO3-{\delta}) thin films have been investigated using a combination of experimental measurements and first-principles density-functional calculations. Two…

Anharmonic effects in an atomic monolayer thin crystal with honeycomb lattice structure are investigated by analytical and numerical lattice dynamical methods. Starting from a semi-empirical model for anharmonic couplings of third and…

Materials Science · Physics 2015-05-20 K. H. Michel , S. Costamagna , F. M. Peeters

We report on the lattice evolution of BiFeO3 as function of temperature using far infrared emissivity, reflectivity, and X-ray absorption local structure. A power law fit to the lowest frequency soft phonon in the magnetic ordered phase…

We report a molecular dynamics study of ab initio quality of the ferroelectric phase transition in crystalline PbTiO3. We model anharmonicity accurately in terms of potential energy and polarization surfaces trained on density functional…

Materials Science · Physics 2025-04-02 Pinchen Xie , Yixiao Chen , Weinan E , Roberto Car

Monoclinic crystal structure of the undoped BaBiO3 can be described as a cubic perovskite distorted by a frozen breathing and tilting phonon modes of BiO6 octahedra. The phonon mode softening is experimentally observed [M. Braden et al.,…

Strongly Correlated Electrons · Physics 2013-08-19 Dm. M. Korotin , D. Novoselov , V. I. Anisimov