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We have carried out temperature-dependent x-ray diffraction and Raman scattering experiments on powder $Cs_3Bi_2Br_9$. Trigonal to monoclinic structural transition at around 95 K is discussed and shown to be driven by the softening of the…

We investigate the thermodynamics and kinetics of a hydrogen interstitial in magnetic {\alpha}-iron, taking account of the quantum fluctuations of the proton as well as the anharmonicities of lattice vibrations and hydrogen hopping. We show…

Materials Science · Physics 2018-06-06 Bingqing Cheng , Anthony T. Paxton , Michele Ceriotti

Temperature-dependent FAR-infrared reflectivity spectra of partially ordered magnetodielectric La2CoMnO6 is presented, from room temperature up to 675 K. A clear first-ordered structural phase transition (SPT) from a monoclinic structure…

Materials Science · Physics 2018-02-22 R. X. Silva , A. Nonato , R. L. Moreira , R. M. Almeida , C. W. A. Paschoal

Unusual phases and phase transitions are seen at the magnetic-nonmagnetic boundary in Ce, Eu and Yb-based compounds. EuNi$_2$P$_{2}$ is a very unusual valence fluctuating Eu system, because at low temperatures the Eu valence stays close to…

Strongly Correlated Electrons · Physics 2016-11-11 U. B. Paramanik , A. Bar , Debarchan Das , N. Caroca-Canales , R. Prasad , C. Geibel , Z. Hossain

The effect of Sr doping in BaTiO3 (BTO) with nominal compositions Ba0.80Sr0.20TiO3 (BSTO) have been explored in its structural, lattice vibration, dielectric, ferroelectric and electrocaloric properties. The temperature dependent dielectric…

Materials Science · Physics 2020-03-02 Satish Yadav , Mohit Chandra , R. Rawat , Vasant Sathe , A. K. Sinha , Kiran Singh

The charge ordering (CO) transition in polycrystalline La1/3Sr2/3MnO3 has been studied by measuring the resistivity, magnetization and transverse ultrasonic velocity. At about 235K, a conspicuous increase in resistivity was observed, while…

Atomic and Molecular Clusters · Physics 2014-03-03 Kong Hui , Tong lianhai , Zhou yahui

We present the results of inelastic x-ray scattering for magnetite and analyze the energies and spectral widths of the phonon modes with different symmetries in a broad range of temperature 125<T<293 K. The phonon modes with X_4 and Delta_5…

Ferroelectric materials are a class of dielectrics that exhibit spontaneous polarization which can be reversed under an external electric field. The emergence of ferroelectric order in incipient ferroelectrics is a topic of considerable…

Materials Science · Physics 2025-10-31 Yu Zhu , Luigi Ranalli , Taikang Chen , Wei Ren , Cesare Franchini

Recent experiments suggest that the conditions for ferromagnetic order in, e.g., magnetite, can be modified by adsorption of chiral molecules. Especially, the coercivity of magnetite was increased by nearly 100 \%, or 20 times the earth…

Cu3Nb2O8 is an unusual multiferroic compound that undergoes a series of magnetic ordering at low temperatures. Concurrent development of electric polarization has been reported at TN1 ~25 K corresponding to a non-collinear helicoidal…

Strongly Correlated Electrons · Physics 2015-06-22 G. Sharma , J. Saha , S. D. Kaushik , V. Siruguri , S. Patnaik

Accurately predicting carrier mobility in strongly anharmonic solids necessitates a precise characterization of lattice dyndamics as a function of temperature. We achieve consistency with experimental electron mobility data for bulk…

Materials Science · Physics 2024-07-29 Luigi Ranalli , Carla Verdi , Marios Zacharias , Jacky Evens , Feliciano Giustino , Cesare Franchini

Ferroelectricity in BaTiO3 was observed nearly eighty years ago, but the mechanism underlying its ferroelectric-paraelectric phase transition remains elusive. The order-disorder transition has been recognized as playing a critical role,…

Materials Science · Physics 2025-10-02 Yang Zhang , Xiaoming Shi , Suk Hyun Sung , Cong Li , Houbing Huang , Pu Yu , Ismail El Baggari

We conduct first-principles theoretical studies to investigate the temperature-dependent phonon properties of orthorhombic SrZrO$_3$ (SZO) perovskite. Our calculations include the quasiharmonic approximation, in which we explored mode…

Materials Science · Physics 2023-09-06 P. K. Verma

Multifunctionality as a paradigm requires materials exhibiting multiple superior properties. Integrating second-order optical nonlinearity and large bandgap with piezoelectricity could, for example, enable broadband, strain-tunable…

We present a comprehensive investigation of the effects of Fe doping on the lattice dynamics, magnetic ordering, and magneto-transport properties of the intercalated van der Waals antiferromagnets Co1-xFexNb3S6 (x = 0.1 and 0.3).…

Fluctuating orders in solids are generally considered high-temperature precursors of broken symmetry phases. However, in some cases these fluctuations persist to zero temperature and prevent the emergence of long-range order, as for example…

Materials Science · Physics 2019-07-24 Tobia Nova , Ankit Disa , Michael Fechner , Andrea Cavalleri

The structural, dielectric and ferroelectric properties of lead-free (Na0.5-xKxBi0.5-xLax)TiO3 powders synthesized by sol-gel self-combustion method were investigated. Rietveld refinement of Synchrotron x-ray diffraction data confirms pure…

We consider the temperature dependence of the sound attenuation and sound velocity in layered impure metals due to superconducting fluctuations of the order parameter above the critical temperature. We obtain the dependence on material…

Superconductivity · Physics 2009-11-10 M. S. Mar'enko , C. Bourbonnais , A. -M. S. Tremblay

The effect of epitaxial strain on the phonon spectra, crystal structure, spontaneous polarization, dielectric, piezoelectric, and elastic properties of (001)-oriented ferroelectric (BaTiO$_3$)$_m$/(SrTiO$_3$)$_n$ superlattices ($m = n =…

Materials Science · Physics 2016-07-11 Alexander I. Lebedev

The normal ferroelectric to paraelectric phase transition in model ferroelectric materials such as BaTiO3 is typically characterized by a sharp, well-defined dielectric constant peak at a specific transition temperature. However, under…

Materials Science · Physics 2025-10-17 Prithwiraj Ganguly , Prashant Joshi , Maneesha Puthiyoth , Dilip Sasmal , Somaditya Sen