Electrons dielectric function

It is customary to denote the static electronic dielectric function (o> >o) as (oo), which seems strange. The only justification seems to be that (0) is reserved for the total static dielectric constant (ionic + electronic) and the infinity simply means at frequencies far above those where the ionic contributions are no longer significant, but are still much smaller than wq-... 

This is the LST relationship, which relates the ratio of the squares of the longitudinal to the transverse resonance frequencies to the ratio of the static to electronic dielectric function. 

The electronic dielectric function in the vicinity of o>Q. The dashed line is the uncorrected dielectric function and the solid line is the dielectric function corrected for the local field. Both functions tail off to 1 (the dotted line) for > mq-... 

Some solid-state physics texts (e.g., Kittel) include the correction for internal fields in calculating the electronic dielectric function but ignore it when calculating the ionic dielectric function and obtain the same result as Equation 23.17. Instead of computing the internal field corrections for ionic and electronic contributions to the dielectric function separately and then adding them, Ashcroft and Mermin combine the polarizabilities of the ions and the electrons and then apply the Clausius-Mossotti equation to the sum ... 

Having found the electronic dielectric function. Equation 23.49 to be given by... 

In its basic expression, the Drude model does not predict that the absorption bandwidth is affected by particle size. Experimentally, colloidal systems having a weak cluster-matrix interaction show a well-established inverse correlation with respect to the plasmon bandwidth with particle size. In order to describe the bandwidth dependency on particle size. Hovel et al. [47] proposed a classical view of free-electron metals here, the scattering of electrons with other electrons, phonons, lattice defects and impurities leads to a damping of the Mie resonance. Briefly, in realistic metals, the dielectric function is composed of contributions from both interband transitions and the free-electron portion [48]. The free-electron dielectric function can be modified by the Dmde model to account for this dependency, giving [47-50]... 

The simplest example is that of tire shallow P donor in Si. Four of its five valence electrons participate in tire covalent bonding to its four Si nearest neighbours at tire substitutional site. The energy of tire fiftli electron which, at 0 K, is in an energy level just below tire minimum of tire CB, is approximated by rrt /2wCplus tire screened Coulomb attraction to tire ion, e /sr, where is tire dielectric constant or the frequency-dependent dielectric function. The Sclirodinger equation for tliis electron reduces to tliat of tlie hydrogen atom, but m replaces tlie electronic mass and screens the Coulomb attraction. 

As shown in Fig. 7, a large increase in optical absorption occurs at higher photon energies above the HOMO-LUMO gap where electric dipole transitions become allowed. Transmission spectra taken in this range (see Fig. 7) confirm the similarity of the optical spectra for solid Ceo and Ceo in solution (decalin) [78], as well as a similarity to electron energy loss spectra shown as the inset to this figure. The optical properties of solid Ceo and C70 have been studied over a wide frequency range [78, 79, 80] and yield the complex refractive index n(cj) = n(cj) + and the optical dielectric function... 

Interaction ofthe electrons in the framework of the self-consistent field approximation is accounted for by considering the induced density fluctuations as a response of independent particles to Oext + Poissons equation [2], This means, physically, that collective excitations of the electrons can occur, taken into account via a chain of electron-holeexcitations. These collective excitations show up in S(q, ) as a distinct energy loss feature. Figure 2 shows the shape of the real and imaginary parts of the dielectric function in RPA (er(q, ), Si(q, )) and the resulting dielectric response... 

If V is localized, say, near the origin, then for locations far from the origin, this behaves like j 2kFr)/r2, which means as cos(2kFr)/ r3. These damped oscillations of frequency 2kF are the Friedel oscillations, which always arise when an electron gas is perturbed the frequency of oscillation comes from the kink in the dielectric function at 2kF. We see the Friedel oscillations (in planar rather than in spherical geometry) for the electron gas at a hard wall [Eq. (12) et seq.] and for the electron density at the surface of a metal. 

One has to solve for (x) with o) = V, (oo) = 0, and and D continuous at z = 0. Since the effect of the metal electrons is incorporated into the dielectric function, there are no free charges to consider in the metal, so that D is constant inside the metal, and the equation becomes... 

The reflectivity of bulk materials can be expressed through their complex dielectric functions e(w) (i.e., the dielectric constant as a function of frequency), the imaginary part of which signifies absorption. In the early days of electroreflectance spectroscopy the spectra were often interpreted in terms of the dielectric functions of the participating media. However, dielectric functions are macroscopic concepts, ill suited to the description of surfaces, interfaces, or thin layers. It is therefore preferable to interpret the data in terms of the electronic transitions involved wherever possible. 

For gas-phase molecules the assumption of electronic adiabaticity leads to the usual Bom-Oppenheimer approximation, in which the electronic wave function is optimized for fixed nuclei. For solutes, the situation is more complicated because there are two types of heavy-body motion, the solute nuclear coordinates, which are treated mechanically, and the solvent, which is treated statistically. The SCRF procedures correspond to optimizing the electronic wave function in the presence of fixed solute nuclei and for a statistical distribution of solvent coordinates, which in turn are in equilibrium with the average electronic structure. The treatment of the solvent as a dielectric material by the laws of classical electrostatics and the treatment of the electronic charge distribution of the solute by the square of its wave function correctly embodies the result of... 

The study of behavior of many-electron systems such as atoms, molecules, and solids under the action of time-dependent (TD) external fields, which includes interaction with radiation, has been an important area of research. In the linear response regime, where one considers the external held to cause a small perturbation to the initial ground state of the system, one can obtain many important physical quantities such as polarizabilities, dielectric functions, excitation energies, photoabsorption spectra, van der Waals coefficients, etc. In many situations, for example, in the case of interaction of many-electron systems with strong laser held, however, it is necessary to go beyond linear response for investigation of the properties. Since a full theoretical description based on accurate solution of TD Schrodinger equation is not yet within the reach of computational capabilities, new methods which can efficiently handle the TD many-electron correlations need to be explored, and time-dependent density functional theory (TDDFT) is one such valuable approach. 

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. 

Electrons in metals at the top of the energy distribution (near the Fermi level) can be excited into other energy and momentum states by photons with very small energies thus, they are essentially free electrons. The optical response of a collection of free electrons can be obtained from the Lorentz harmonic oscillator model by simply clipping the springs, that is, by setting the spring constant K in (9.3) equal to zero. Therefore, it follows from (9.7) with co0 = 0 that the dielectric function for free electrons is... 

An elementary treatment of the free-electron motion (see, e.g., Kittel, 1962, pp. 107-109) shows that the damping constant is related to the average time t between collisions by y = 1 /t. Collision times may be determined by impurities and imperfections at low temperatures but at ordinary temperatures are usually dominated by interaction of the electrons with lattice vibrations electron-phonon scattering. For most metals at room temperature y is much less than oip. Plasma frequencies of metals are in the visible and ultraviolet hu>p ranges from about 3 to 20 eV. Therefore, a good approximation to the Drude dielectric functions at visible and ultraviolet frequencies is... 

The reflectance, dielectric functions, and refractive indices, together with calculations based on the Drude theory, for the common metal aluminum are shown in Fig. 9.11. Aluminum is described well by the Drude theory except for the weak structure near 1.5 eV, which is caused by bound electrons. The parameters we have chosen to fit the reflectance data, hu>p = 15 eV and hy = 0.6 eV, are appreciably different from those used by Ehrenreich et al. (1963), hup = 12.7 eV and hy = 0.13 eV, to fit the low-energy (hu < 0.2 eV) reflectance of aluminum. This is probably caused by the effects of band transitions and the difference in electron scattering mechanisms at higher energies. The parameters we use reflect our interest in applying the Drude theory in the neighborhood of the plasma frequency. 

---