Transverse lattice vibrations

There is however a manifest difference in the anomalies of second sound. Since second sound of Sm-A is transferred into a transverse sound mode (transverse lattice vibrations) in Xtal-5, Eq.(5) has to be replaced in the Xtal-5 phase by... 

I he notation 0e indicates that this is the dielectric function at frequencies low i ompared with electronic excitation frequencies. We have also replaced co0 with l (, the frequency of the transverse optical mode in an ionic crystal microscopic theory shows that only this type of traveling wave will be readily excited bv a photon. Note that co2 in (9.20) corresponds to 01 e2/me0 for the lattice vibrations (ionic oscillators) rather than for the electrons. The mass of an electron is some thousands of times less than that of an ion thus, the plasma liequency for lattice vibrations is correspondingly reduced compared with that lor electrons. 

Lattice vibrations may be acoustic or optical in the former case the motion involves all the ions, in volumes down to that of a unit cell, moving in unison, while in the optical mode cations and anions move in opposite senses. Both acoustic and optical modes can occur as transverse or longitudinal waves. 

Hereby, the branches with E - and / -symmetry are twofold degenerated. Both A - and / d-modes are polar, and split into transverse optical (TO) and longitudinal optical (LO) phonons with different frequencies wto and wlo, respectively, because of the macroscopic electric fields associated with the LO phonons. The short-range interatomic forces cause anisotropy, and A - and / d-modcs possess, therefore, different frequencies. The electrostatic forces dominate the anisotropy in the short-range forces in ZnO, such that the TO-LO splitting is larger than the A -E splitting. For the lattice vibrations with Ai- and F -symmetry, the atoms move parallel and perpendicular to the c-axis, respectively (Fig. 3.2). 

Wurtzite ZnO structure with four atoms in the unit cell has a total of 12 phonon modes (one longitudinal acoustic (LA), two transverse acoustic (TA), three longitudinal optical (LO), and six transverse optical (TO) branches). The optical phonons at the r point of the Brillouin zone in their irreducible representation belong to Ai and Ei branches that are both Raman and infrared active, the two nonpolar 2 branches are only Raman active, and the Bi branches are inactive (silent modes). Furthermore, the Ai and Ei modes are each spht into LO and TO components with different frequencies. For the Ai and Ei mode lattice vibrations, the atoms move parallel and perpendicular to the c-axis, respectively. On the other hand, 2 modes are due to the vibration of only the Zn sublattice ( 2-low) or O sublattice ( 2-high). The expected Raman peaks for bulk ZnO are at 101 cm ( 2-low), 380 cm (Ai-TO), 407 cm ( i-TO), 437 cm ( 2-high), and 583 cm ( j-LO). 

Several theoretical and experimental studies assess the vibrational properties of the high-pressure phases of silicon. A group-theoretical analysis of lattice vibrations in the -tin structure has been made by Chen [98]. In the vicinity of the F point, the optical modes consist of one longitudinal optical (LO) branch and at higher frequencies of a doubly degenerate transverse optical (TO) branch, both of which are Raman active. Zone-center phonon frequencies of Si-11 have been calculated as a function of pressure using the ab initio pseudopotential method... 

Figure 12.2 Dispersion curves of Nb in direction. L and T denote longitudinal and transverse branches of the lattice vibration, respectively. The open circles and filled circles...

The free energy due to harmonic lattice vibrations (or equivalently the Debye temperature) is approximately the same for bcc, fee, and hep structures but with a significant tendency for the bcc value to be a few percent lower. The more open bcc structure has a transverse phonon mode with a particularly low frequency which causes a more rapid decrease in the free energy with temperature. On cooling, sodium and lithium transform partially from bcc to hep at very low temperatures (0.1-0.2 Tm). Calcium, strontium, beryllium, and thallium transform to a bcc phase at high temperatures (0.66-0.98 Tm) when there is a considerable anharmonic contribution to the free energy. 

Ot resonating angular frequency of the optical mode of lattice vibration transverse waves, y attenuation constant, co angular frequency... 

Lattice vibrations are also classified as optical branch and acoustical branch modes or as transverse optical (TO) and longitudinal optical (LO) modes. These are not important to us. Lattice vibrations disappear if the crystal is destroyed by any means—e.g., by melting or solution. They are a cooperative phenomenon of a highly ordered system. 

In molecular crystals or in crystals composed of complex ions it is necessary to take into account intramolecular vibrations in addition to the vibrations of the molecules with respect to each other. If both modes are approximately independent, the former can be treated using the Einstein model. In the case of covalent molecules specifically, it is necessary to pay attention to internal rotations. The behaviour is especially complicated in the case of the compounds discussed in Section 2.2.6. The pure lattice vibrations are also more complex than has been described so far . In addition to (transverse and longitudinal) acoustical phonons, i.e. vibrations by which the constituents are moved coherently in the same direction without charge separation, there are so-called optical phonons. The name is based on the fact that the latter lattice vibrations are — in polar compounds — now associated with a change in the dipole moment and, hence, with optical effects. The inset to Fig. 3.1 illustrates a real phonon spectrum for a very simple ionic crystal. A detailed treatment of the lattice dynamics lies outside the scope of this book. The formal treatment of phonons (cf. e(k), D(e)) is very similar to that of crystal electrons. (Observe the similarity of the vibration equation to the Schrodinger equation.) However, they obey Bose rather than Fermi statistics (cf. page 119). 

Iditional importance is that the vibrational modes are dependent upon the reciprocal e vector k. As with calculations of the electronic structure of periodic lattices these cal-ions are usually performed by selecting a suitable set of points from within the Brillouin. For periodic solids it is necessary to take this periodicity into account the effect on the id-derivative matrix is that each element x] needs to be multiplied by the phase factor k-r y). A phonon dispersion curve indicates how the phonon frequencies vary over tlie luin zone, an example being shown in Figure 5.37. The phonon density of states is ariation in the number of frequencies as a function of frequency. A purely transverse ition is one where the displacement of the atoms is perpendicular to the direction of on of the wave in a pmely longitudinal vibration tlie atomic displacements are in the ition of the wave motion. Such motions can be observed in simple systems (e.g. those contain just one or two atoms per unit cell) but for general three-dimensional lattices of the vibrations are a mixture of transverse and longitudinal motions, the exceptions... 

From the lattice dynamics viewpoint a transition to the ferroelectric state is seen as a limiting case of a transverse optical mode, the frequency of which is temperature dependent. If, as the temperature falls, the force constant controlling a transverse optical mode decreases, a temperature may be reached when the frequency of the mode approaches zero. The transition to the ferroelectric state occurs at the temperature at which the frequency is zero. Such a vibrational mode is referred to as a soft mode . 

Fig. XIV-2.—Number of vibrations per unit frequency range, in a simple cubic lattice with constant velocity of propagation. It is assumed that the velocity of the longitudinal wave is twice that of the transverse waves. Dotted curve indicates Debye s assumption.

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