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The interplay of electronic and structural degrees of freedom is a prominent feature of many quantum materials and of particular interest in systems with strong ferroelectric fluctuations, such as SrTiO$_3$ (STO) and KTaO$_3$ (KTO). Both…

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

The strength of the electron-phonon coupling parameter and its evolution throughout a solid's phase diagram often determines phenomena such as superconductivity, charge- and spin-density waves. Its experimental determination relies on the…

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 have studied the magnetic field dependence of far-infrared active magnetic modes in a single ferroelectric domain \BFO/ crystal at low temperature. The modes soften close to the critical field of 18.8\,T along the [001] (pseudocubic)…

Strongly Correlated Electrons · Physics 2013-06-26 U. Nagel , Randy S. Fishman , T. Katuwal , H. Engelkamp , D. Talbayev , Hee Taek Yi , S. -W. Cheong , T. Rõõm

We developed a Landau type theory for the description of polar phenomena in low-dimensional transition metal dichalcogenides (TMDs), specifically exploring flexoelectric origin of the polarization induced by a spontaneous bending and by…

In the orbitally ordered, quasi-one dimensional Heisenberg antiferromagnet KCuF3 the low-energy Eg and B1g phonon modes show an anomalous softening (25% and 13%) between room temperature and the characteristic temperature T_S = 50 K. In…

Strongly Correlated Electrons · Physics 2022-05-31 V. Gnezdilov , J. Deisenhofer , P. Lemmens , D. Wulferding , O. Afanasiev , P. Ghigna , A. Loidl , A. Yeremenko

GeTe is a well-known ferroelectric and thermoelectric material that undergoes a structural phase transition from a rhombohedral to the rocksalt structure at $\sim 600-700$ K. We present a first principles approach to calculate the thermal…

Materials Science · Physics 2018-07-10 Đorđe Dangić , Aoife R. Murphy , Éamonn D. Murray , Stephen Fahy , Ivana Savić

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.…

Dielectric properties of BTZ-BCT ceramics were probed in the frequency range from 10 Hz to 100 THz in a broad temperature range (10-900 K). Polar soft phonon observed in infrared spectra softens with cooling, however below 500 K its…

Materials Science · Physics 2016-12-13 S. Kamba , E. Simon , V. Skoromets , V. Bovtun , M. Kempa , J. Pokorny , M. Savinov , J. Koruza , B. Malic

Proximity ferroelectricity is a novel paradigm for inducing ferroelectricity in a non-ferroelectric polar material such as AlN or ZnO that are typically unswitchable with an external field below their dielectric breakdown field. When placed…

We investigate three dimensional anharmonic phonons in tetrahedral symmetry and superconductivity mediated by these phonons. Three dimensional anharmonic phonon spectra are calculated directly by solving Schr\"odinger equation and the…

Superconductivity · Physics 2015-05-18 Kazumasa Hattori , Hirokazu Tsunetsugu

Phonons in single crystals of PrFeAsO_{1-y} are investigated using high-resolution inelastic x-ray scattering and ab initio pseudopotential calculations. Extensive measurements of several samples at temperatures spanning the magnetic…

Strongly Correlated Electrons · Physics 2011-08-12 T. Fukuda , A. Q. R. Baron , H. Nakamura , S. Shamoto , M. Ishikado , M. Machida , H. Uchiyama , A. Iyo , H. Kito , J. Mizuki , M. Arai , H. Eisaki

In this manuscript, we provide a general theory for how surface phonons couple to molecular adsorbates. Our theory maps the extended dynamics of a surface's atomic vibrational motions to a generalized Langevin equation, and by doing so…

Chemical Physics · Physics 2024-05-03 Ardavan Farahvash , Adam P. Willard

We investigate decoherence of an electron in graphene caused by electron-flexural phonon interaction. We find out that flexural phonons can produce dephasing rate comparable to the electron-electron one. The problem appears to be quite…

Mesoscale and Nanoscale Physics · Physics 2015-05-20 Konstantin S. Tikhonov , Wei L. Z. Zhao , Alexander M. Finkel'stein

We provide a macroscopic theory and experimental results for magnetic resonances of antiferromagnetically-coupled ferrimagnets. Our theory, which interpolates the dynamics of antiferromagnets and ferromagnets smoothly, can describe…

We present a novel analytical formulation on generation of electro-acoustic noise in ferroelectric materials where the thermal fluctuations induced polarization and acoustic modes distinctly contribute to noise. The conservative force…

Applied Physics · Physics 2023-03-02 Dhiraj Sinha

We investigate the role of specific phonon mode symmetries for the room temperature superconductivity in atomic hydrogen under large pressure. Using anisotropic Migdal-Eliashberg theory with ab initio input from density functional theory,…

Superconductivity · Physics 2021-03-11 Ashok K. Verma , P. Modak , Fabian Schrodi , Alex Aperis , Peter M. Oppeneer

Magnetic order parameters in altermagnets can couple to quantized lattice vibration via both piezomagnetic and magnetoelastic effects, leading to the renormalization of phonon dispersion. Here, we demonstrate photo-induced dynamic frequency…

The class of layered 3D-topological insulators have shown intriguingly anomalous temperature dependence in their thermal expansion coefficients. It was proposed that stacking faults are the origin of the observed anomalous thermal…

Materials Science · Physics 2020-01-08 Gyan Prakash , Koushik Pal , U. V. Waghmare , A. K. Sood
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