Experimental determination of the self-energy of the transverse optic mode in KBr at 100 and 300 K

Experimental determinations of the frequency dependence of the anharmonic self-energy shift and damping of the q ? 0 transverse optic mode in KBr at 300 and 100 K are presented. The room temperature measurements of the damping function are shown to be in good agreement with recent calculations by Bruce which include a contribution from a term reflecting the three phonon density of states.     

Molecular dynamics calculations of anharmonic properties of the vibrational spectrum of BCC zirconium under pressure

The structural stability and lattice dynamics of the high-pressure bcc phase of Zr at a constant temperature T = 500 K are studied for various volumes using molecular dynamics simulation with the Animalu pair pseudopotential. Dispersion curves of the vibrational spectrum calculated by the molecular dynamics method for various volumes are compared to the phonon spectrum obtained in the harmonic approximation. It is demonstrated that, as the volume decreases, all frequencies of the vibrational spectrum increase gradually and bcc zirconium remains strongly anharmonic along all high-symmetry directions of the Brillouin zone over the entire range of volumes studied. The strongly anharmonic N _T1 phonon is significantly softened near the point of structural instability of bcc-Zr at T = 500 K and V = 0.87V ₀. As the volume decreases to V = 0.73V ₀ under pressure, the anharmonic corrections for this phonon decrease by almost an order of magnitude and the phonons near the H point of the Brillouin zone become anharmonic. The damping of the T ₁ phonon mode along the [110] direction is calculated as a function of pressure.     

The lifetime of the “ferroelectric” phonon in some perovskite crystals at low temperatures

The lifetime of a low-lying transverse optic phonon with the wave vectork=0 (ferroelectric phonon) in perovskite crystals having the Curie point at low temperatures is investigated. Using a phenomenological Hamiltonian it is shown that mainly the process, in which the ferroelectric phonon and the transverse acoustic phonon are destroyed in order to create another optic phonon from the same branch, determines the lifetime of a ferroelectric phonon. The general result is specialized for SrTiO₃, and the temperature dependence of, exhibiting anomalies in comparison with normal ionic crystals, is discussed.The author thanks Dr. M. Marvan of the Physical Faculty of Charles University in Prague and Dr. P. Glogar and Dr. M. Trlifaj of the Institute of Physics, Czechoslovak Academy of Sciences, in Prague for valuable remarks.     

Effect of magnon-phonon interaction on phonon damping of two-dimensional Heisenberg ferromagnetic system at finite temperature

A magnon-phonon interaction model is developed on the basis of a two-dimensional square Heisenberg ferromagnetic system. By using Matsubara Green function theory we studied the transverse and longitudinal acoustic phonon dampings and calculated the transverse and longitudinal acoustic phonon damping curves on the main symmetric point and line in the first Brillouin zone. It is found that on the line Δ there is no damping for transverse acoustic phonon and on the line Z there is no damping for longitudinal acoustic phonon. In the first Brillouin zone the damping of transverse acoustic phonons is at least one order larger than that of longitudinal acoustic phonons. The influences of various parameters on transverse and longitudinal acoustic phonon dampings are discussed and the lifetime and the density of state of transverse and longitudinal acoustic phonons are explored as well according to the relation of the phonon damping and its lifetime and the relation of the phonon damping and its density of state.     

有限温度下二维Heisenberg铁磁系统的声子衰减

在二维正方Heisenberg铁磁系统的基础上建立了磁振子-声子相互作用模型. 利用松原格林函数理论研究了系统的声子衰减，计算了布里渊区的主要对称点线上的声子衰减曲线. 发现在第一布里渊区，在Δ线上，横向声频支声子无衰减，在Z线上，纵向声频支声子无衰减；横向声频支声子衰减比纵向声频支声子衰减至少大一个数量级，并讨论了各项参数的变化对横向声频支声子衰减与纵向声频支声子衰减的影响. 根据声子衰减与声子寿命的关系，声子衰减与声子态密度的关系，可以讨论横向声频支声子与纵向声频支声子的寿命与态密度. 关键词： 磁振子-声子相互作用 横向声频支声子衰减 纵向声频支声子衰减 声子寿命     

Temperature dependence of Raman scattering and anharmonic properties in LiNbO_3

The temperature dependence of the Raman spectrum in LiNbO \(_3\) is investigated from 100 to 700 K. The various sources of asymmetry of Raman bands and artefacts are discussed before analyzing the temperature dependence of A \(_1\) and E first-order phonon lines. The phonon frequency downshift and damping increase on heating are interpreted in terms of normal volume expansion and third- and fourth-order anharmonic potentials. Anharmonic contributions are highly anisotropic and mainly explain the temperature dependences of both frequency and damping of A \(_1\) optical vibrational modes along the ferroelectric axis. Results are consistent with Caciuc et al. (Phys Rev B 61:8806, 2000) predictions.     

Study of the far infrared optical properties of KI by dispersive Fourier transform spectrometry

The optical constants of KI have been determined in the far infrared at 200 and 300K by dispersive Fourier transform spectrometry and used to calculate the imaginary part of the anharmonic self-energy of the qo transverse optic mode. The overall agreement, both quãlitatively and quantitatively, with calculations by Berg and Bell and by Edridge and Kembry which include contributions from cubic anharmonicity is good.     

Softening behavior of acoustic phonon mode in ZnO nanoparticles: the effect of impurities and particle size variation with temperature

Decay dynamics of the acoustic phonon mode in ZnO nanoparticles, synthesized using the wet chemical technique, is investigated. It is well established that optic phonon modes in a semiconductor favor an anharmonic decay dynamics; in contrast, acoustic modes evidence a rather complex decay behavior, manifesting their dependence on other parameters such as particle size, impurity species, etc. At lower temperatures (T < 500 K), the anharmonic decay process, caused by the weakening of the bond strength, is responsible for the observed decrease in the acoustic mode wavenumbers. However, particle growth due to the coalescence sintering process is prominent at higher temperatures (>600 K) and governs the softening behavior of the acoustic phonon mode towards the Rayleigh line. On the other hand, the precursor species and reaction byproducts on the surface of ZnO nanoparticles induce an anomalous softening behavior in the decay dynamics at specific temperatures by damping the acoustic phonon mode. Copyright © 2011 John Wiley & Sons, Ltd.     

Green’s function approach to phonon hydrodynamics in solids

In the first part the Green’s function approach developed byKadanoff andBaym is used to derive a transport equation for phonons in a dielectric anharmonic crystal. The approximations which reduce this generalized equation to the Peierls equation are exhibited. In the second part, neglecting Umklapp processes, the linearized equation is applied to hydrodynamic phenomena. In a system close to local thermal equilibrium second sound and Poiseuille flow may exist. The damping through normal processes is approximately calculated by a momentum-dependent relaxation time. The coupling between the phonon and the dilatation fields is discussed.     

On Certain Anharmonic Characteristics of B2-Phase Ti(Ni, Fe) Alloys under Hydrostatic Pressure

It is found that frequencies of the acoustic phonon mode in the B2-phase of Ti(Ni, Fe) alloys decrease prior to the B2 R transformation as the isothermal hydrostatic pressure is increased. This is shown to be due to the anharmonic character of atomic-interaction forces in the B2 crystal lattice. The coefficient of volumetric expansion is predicted to have negative values in the pressure range studied.     

Origin of the acoustic phonon frequency shifts in semiconducting nanoparticles

The surface and size effects on the acoustic phonon properties of semiconducting nanoparticles, such as ZnO, are studied using the s-d model and a Green's function technique. We have shown that the electron-phonon and anharmonic phonon-phonon interactions play an important role in ZnO nanoparticles and must be taken into account in order to explain the experimental data. Due to surface and size effects on the electron-phonon constants, the acoustic phonon frequency and their damping increase with decreasing of particle size.     

Theoretical study of phonon spectra in ferromagnetic nanoparticles

Based on the spin-phonon model we analyze the influence of surface and size effects on the phonon properties of ferromagnetic nanoparticles. A Green's function technique in real space enables us to calculate the renormalized phonon energy and its damping depending on the temperature and the anharmonic spin-phonon interaction constants. With decreasing particle size the phonon energy can decrease or increase for different surface spin-phonon interaction constants, whereas the damping increases always. The influence of an external magnetic field is discussed, too. The theoretical results are in reasonable accordance to experimental data.     

Effect of magnon–phonon interaction on transverse acoustic phonon excitation at finite temperature

A magnon–phonon interaction model is developed on the basis of two-dimensional square Heisenberg ferromagnetic system. By using Matsubara Green function theory transverse acoustic phonon excitation is studied and transverse acoustic phonon excitation dispersion curves is calculated on the main symmetric point and line in the first Brillouin zone. On line Σ it is found that there is hardening for transverse acoustic phonon on small wave vector zone (nearby point Γ), there is softening for transverse acoustic phonon on the softening zone and there is hardening for transverse acoustic phonon near point M. On line Δ it is found there is no softening and hardening for transverse acoustic phonon. On line Z it is found that there is softening for transverse acoustic phonon on small wave vector zone (nearby point X) and there is hardening for transverse acoustic phonon nearby point M. The influences of various parameters on transverse acoustic phonon excitation are also explored and it is found that the coupling of the magnon–phonon and the spin wave stiffness constant play an important role for the softening of transverse acoustic phonon.     

Characteristic features of anharmonic effects in the lattice dynamics of fcc metals

The dispersion in the entire Brillouin zone and the temperature dependence (right up to the melting temperature) of the anharmonic frequency shift and phonon damping in a number of fcc metals is investigated on the basis of microscopic calculations. It is found that the anharmonic effects depend sharply on the wave vector in the directions Г-X, X-W, and Г-L and, in contrast to bcc metals, the magnitude of the effects is not due to the softness of the initial phonon spectrum. It is shown that the relative frequency shifts and the phonon damping near melting do not exceed 10–20%. The relative role of various anharmonic processes is examined, and the relation between the results obtained and existing experimental data is discussed. Pis’ma Zh. éksp. Teor. Fiz. 69, No. 9, 649–652 (10 May 1999)     

Phonons in YBa2Cu3O7−x crystals with site-selective oxygen isotope substitution: Frequencies,normal vectors,non-linear properties

Lattice vibrations of YBa₂Cu₃O_7–x crystals with a site-selective isotope substitution¹⁸O¹⁶O are investigated theoretically. It is shown that shifts of the frequencies of A_1g oxygen vibrations due to this substitution are smaller than under complete one. However, phonon bands and normal vectors are changed much stronger, especially in the case when apical oxygens are substituted. On the basis of the presented analysis anharmonic properties and transition temperatures of the selectively substituted crystals are also briefly discussed.     

Optical phonon frequencies and damping in AlAs, GaP, GaAs, InP, InAs and InSb studied by oblique incidence infrared spectroscopy

The transverse (TO) and longitudinal (LO) optical phonons in AlAs, GaP, GaAs, InP, InAs and InSb have been measured at room temperature by infrared spectroscopy using an oblique incidence reflectance method. The spectra obtained were then fitted using a novel approach to determine the TO and LO phonon frequencies and damping. The results obtained are found to be more precise than in earlier reflectivity measurements using near-normal angles of incidence and provide information on the damping of both phonons. Apart from the GaAs LO mode, the observed damping parameters are found to be quite different from those predicted by theory. From these results the Lowndes condition governing the relative magnitudes of the TO and LO phonon line widths is found to be violated for all these zincblende semiconductors.     

Theory of phonon properties in doped and undoped CuO nanoparticles

We have studied the phonon properties of CuO nanoparticles and have shown the importance of the anharmonic spin–phonon interaction. The Raman peaks of CuO nanoparticles shift to lower frequency and become broader as the particle size decreases in comparison with those of bulk CuO crystals owing to size effects. By doping with different ions, in dependence of their radius compared to the host ionic radius the phonon energies ω could be reduced or enhanced. The phonon damping is always enhanced through the ion doping effects.     

Propagation of sound at continuous structural phase transitions

Structural phase transitions of second order can be divided into two groups: (i) distortive phase transitions, with a soft (ultimately overdamped) optic mode, and (ii) elastic phase transitions, with an acoustic soft mode or no soft phonon for shear or isostructural transitions, respectively. The propagation of sound shows significantly different features in these two cases. We consider the theory of the critical variation of the velocity of ultrasonic modes as well as the damping and dispersion near transitions of second order.Talk given at the Conference on Transport and Propagation in Nonlinear Systems, Los Alamos, May 21–25, 1984.     

Dynamics of the phase-change material GeTe across the structural phase transition

Results of inelastic neutron scattering experiments and ab initio molecular dynamics simulations for GeTe – the parent compound of phase-change materials are reported. The inelastic neutron spectra of GeTe powder samples have been determined in the temperature range extending from 300 to 700 K. The phonon peaks undergo thermal shifts resulting from anharmonic effects being weaker for acoustic than optic modes. A small concentration of free charge carries arising from the presence of Ge-vacancies was found not to affect significantly the neutron weighted phonon densities of states of GeTe. The spectral pattern changes qualitatively across the structural phase transition, but the local structure of GeTe remains hardly affected, as confirmed by the analysis of temperature dependence of the pairdistribution function obtained from ab initio molecular dynamics investigations. The present theoretical studies support in a wide extent our experimental observations and also those provided by local probe methods.     

Temperature and layer number dependence of the G and 2D phonon energy and damping in graphene

We have studied the temperature and size dependence of the G and 2D phonon modes in graphene. It is shown that in a graphene monolayer the phonon energy decreases whereas the phonon damping increases with increasing temperature. The electron-phonon interaction leads to hardening whereas the fourth-order anharmonic phonon-phonon processes lead to softening of the phonon energy with increasing temperature. We have shown that the electron-phonon interaction plays an important role also by the dispersion dependence of the phonon G mode, by the observation of the Kohn anomaly. The G mode frequency decreases and damping increases, whereas the 2D phonon frequency and damping increase with increasing layer number. The temperature and size effects of the 2D mode are much stronger than those of the G mode.