Search results for "Phonon"
showing 10 items of 466 documents
Self-sustained coherent phonon generation in optomechanical cavities
2016
Optical forces can set tiny objects in states of mechanical self-sustained oscillation, spontaneously generating periodic signals by extracting power from steady sources. Miniaturized self-sustained coherent phonon sources are interesting for applications such as mass-force sensing, intra-chip metrology and intra-chip time-keeping among others. In this paper, we review several mechanisms and techniques that can drive a mechanical mode into the lasing regime by exploiting the radiation pressure force in optomechanical cavities, namely stimulated emission, dynamical back-action, forward stimulated Brillouin scattering and self-pulsing.
Semi-empirical indo and shell-model calculations for perovskites
1999
Abstract Structural, phonon and some elastic and dielectric properties have been calculated for various paraelectric or ferroelectric phases of the perovskites KNbO3 and SrTiO3, using either the semi-empirical INDO (Intermediate Neglect of Differential Overlap) method or a temperature-dependent shell model. The INDO method was used to calculate the energy changes resulting from [100], [110] or [111] displacements of Nb atoms in the cubic perovskite cell of KNbO3, at 0K. The conventional shell model gives a good account of the elastic, dielectric and phonon properties of the cubic phase of strontium titanate at room temperature, but difficulties remain in modelling the permittivity and elast…
Phase Stability of Lanthanum Orthovanadate at High Pressure
2016
The journal of physical chemistry / C 120(25), 13749 - 13762(2016). doi:10.1021/acs.jpcc.6b04782
Phase Behavior of TmVO4 under Hydrostatic Compression: An Experimental and Theoretical Study
2020
We present a structural and optical characterization of magnetoelastic zircon-type TmVO4 at ambient pressure and under high pressure. The properties under high pressure have been determined experimentally under hydrostatic conditions and theoretically using density functional theory. By powder X-ray diffraction we show that TmVO4 undergoes a first-order irreversible phase transition to a scheelite structure above 6 GPa. We have also determined (from powder and single-crystal X-ray diffraction) the bulk moduli of both phases and found that their compressibilities are anisotropic. The band gap of TmVO4 is found to be Eg = 3.7(2) eV. Under compression the band gap opens linearly, until it unde…
Pressure Tunable Electronic Bistability in Fe(II) Hofmann-like Two-Dimensional Coordination Polymer [Fe(Fpz)2Pt(CN)4]: A Comprehensive Experimental a…
2021
A comprehensive experimental and theoretical study of both thermal-induced spin transition (TIST) as a function of pressure and pressure-induced spin transition (PIST) at room temperature for the two-dimensional Hofmann-like SCO polymer [Fe(Fpz)2Pt(CN)4] is reported. The TIST studies at different fixed pressures have been carried out by magnetic susceptibility measurements, while PIST studies have been performed by means of powder X-ray diffraction, Raman, and visible spectroscopies. A combination of the theory of elastic interactions and numerical Monte Carlo simulations has been used for the analysis of the cooperative interactions in TIST and PIST studies. A complete (T, P) phase diagram…
High-Pressure Raman Study of Fe(IO3)3: Soft-Mode Behavior Driven by Coordination Changes of Iodine Atoms
2020
[EN] We report high-pressure Raman spectroscopy studies of Fe(IO3)(3) up to nearly 21 GPa that have been interpreted with the help of density functional theory calculations, which include the calculation of phonon dispersion curves and elastic constants at different pressures. Zero-pressure Raman-active mode frequencies and their pressure dependences have been determined. Modes have been assigned and correlated to atomic movements with the help of calculations. Interestingly, in the high-frequency region, there are several modes that soften under compression. These modes have been identified as internal vibrations of the IO3 coordination polyhedron. Their unusual behavior is a consequence o…
Monazite-type SrCrO4 under compression
2016
We report a high-pressure study of monoclinic monazite-type SrCrO4 up to 26 GPa. Therein we combined x-ray diffraction, Raman and optical-absorption measurements with ab initio calculations, to find a pressure-induced structural phase transition of SrCrO4 near 8-9 GPa. Evidence of a second phase transition was observed at 10-13 GPa. The crystal structures of the high-pressure phases were assigned to the tetragonal scheelite-type and monoclinic AgMnO4-type structures. Both transitions produce drastic changes in the electronic band gap and phonon spectrum of SrCrO4. We determined the pressure evolution of the band gap for the low-pressure and high-pressure phases as well as the frequencies an…
Pressure dependence of the interlayer and intralayer E2g Raman-active modes of hexagonal BN up to the wurtzite phase transition
2020
We present a Raman-scattering study of the interlayer and intralayer ${E}_{2g}$ Raman-active modes of hexagonal boron nitride $(h\ensuremath{-}\mathrm{BN})$ under hydrostatic pressure for pressures up to the transition to the wurtzite phase (10.5 GPa). Pressure coefficients and Gr\"uneisen parameters are determined for both modes, and are compared to ab initio calculations based on density functional perturbation theory. The pressure coefficient of the low-energy interlayer mode is higher than that of the high-energy intralayer mode owing to the large compressibility of the $h\ensuremath{-}\mathrm{BN}$ crystal along the $c$ direction. Both modes exhibit a sublinear phonon frequency increase…
Optical phonons in theNaTiSi2O6oxide withS=12spin chains
2005
. The infrared-active phonon frequencies are obtained by Kramers-Kronig analy-sis of the reflectivity data. The assignment of the observed modes is done using lattice dynamical calculationsbased on the valence shell model. A phase transition at about 210 K is manifested through a dramatic changeof the mode frequency and broadening, and the appearance of new phonon modes. Analyzing the phononfrequency and damping vs temperature we have found that the phase transition leaves a fingerprint in thephonon dynamics of NaTiSi
High-pressure monoclinic–monoclinic transition in fergusonite-type HoNbO4
2021
Abstract In this paper we perform a high-pressure (HP) study of fergusonite-type HoNbO4. Powder x-ray diffraction experiments and ab initio density-functional theory (DFT) simulations provide evidence of a phase transition at 18.9(1.1) GPa from the monoclinic fergusonite-type structure (space group I2/a) to another monoclinic polymorph described by space group P21/c. The phase transition is reversible and the HP structural behavior is different than the one previously observed in related niobates. The HP phase remains stable up to 29 GPa. The observed transition involves a change in the Nb coordination number from 4 to 6, and it is driven by mechanical instabilities. We have determined the …