Effective wave vector

As the nanotube diameter increases, more wave vectors become allowed for the circumferential direction, the nanotubes become more two-dimensional and the semiconducting band gap disappears, as is illustrated in Fig. 19 which shows the semiconducting band gap to be proportional to the reciprocal diameter l/dt. At a nanotube diameter of dt 3 nm (Fig. 19), the bandgap becomes comparable to thermal energies at room temperature, showing that small diameter nanotubes are needed to observe these quantum effects. Calculation of the electronic structure for two concentric nanotubes shows that pairs of concentric metal-semiconductor or semiconductor-metal nanotubes are stable [178]. 

In the weak-coupling limit unit cell a (, 0 7a for fra/u-polyacetylene) and the Peierls gap has a strong effect only on the electron states close to the Fermi energy eF-0, i.e., stales with wave vectors close to . The interaction of these electronic states with the lattice may then be described by a continuum, model [5, 6]. In this description, the electron Hamiltonian (Eq. (3.3)) takes the form ... 

The isotope effects of reactions of HD + ions with He, Ne, Ar, and Kr over an energy range from 3 to 20 e.v. are discussed. The results are interpreted in terms of a stripping model for ion-molecule reactions. The technique of wave vector analysis, which has been successful in nuclear stripping reactions, is used. The method is primarily classical, but it incorporates the vibrational and rotational properties of molecule-ions which may be important. Preliminary calculations indicate that this model is relatively insensitive to the vibrational factors of the molecule-ion but depends strongly on rotational parameters. 

Indeed, we have discussed the matrix elements involved in these formulas (see Eqs. (36), (52), and (56)) as well as the physical meaning of the Fourier coefficients pk p] t). However, the mathematical expressions are often rather involved and it is convenient, especially in specific applications, to introduce a diagram technique in order to represent the various terms of these general formulas.28 We first notice that in Eqs. (41) and (42), the momenta p,- essentially appear as parameters indeed, according to Eq. (52) only the wave-vectors are explicitly modified by the interactions. This is the reason why we shall only represent these wave numbers graphically it should, however, be kept in mind that the momenta are effectively affected by the interactions through the differential operators d/dp ... 

An alternative approach involves integrating out the elastic degrees of freedom located above the top layer in the simulation.76 The elimination of the degrees of freedom can be done within the context of Kubo theory, or more precisely the Zwanzig formalism, which leads to effective (potentially time-dependent) interactions between the atoms in the top layer.77-80 These effective interactions include those mediated by the degrees of freedom that have been integrated out. For periodic solids, a description in reciprocal space decouples different wave vectors q at least as far as the static properties are concerned. This description in turn implies that the computational effort also remains in the order of L2 InL, provided that use is made of the fast Fourier transform for the transformation between real and reciprocal space. The description is exact for purely harmonic solids, so that one can mimic the static contact mechanics between a purely elastic lattice and a substrate with one single layer only.81... 

The x-dependent separation constant is the y-component of the wave-vector, and acts as an effective index profile, cf. figure 5,... 

Fig. 20. Effect of an uniaxial pressure on the relative magnetic Bragg peak intensities associated with the three equivalent k-vectors for UN, UAs and USb single crystals. The uniaxial pressure is applied along the (001) direction. Full circles correspond to magnetic peaks Ii, associated with a wave vector perpendicular to the stress and open circles to magnetic peaks I, associated to a wave vector parallel to the stress. (Rossat-Mignod et al. )...

Thus, a susceptibility that depends on frequency and wave vector implies that the relation between P(x, t) and E(x, t) is nonlocal in time and space. Such spatially dispersive media lie outside our considerations. However, spatial dispersion can be important when the wavelength is comparable to some characteristic length in the medium (e.g., mean free path), and it is well at least to be aware of its existence it can have an effect on absorption and scattering by small particles (Yildiz, 1963 Foley and Pattanayak, 1974 Ruppin, 1975, 1981). 

A spin polaron should move at low temperatures with a fixed wave vector k, like any other pseudoparticle, and be scattered by phonons and magnons. The effective mass is expected to be of the form mey /0, where y l. To obtain this result, we compute the transfer integral when the polaron moves through one atomic distance. The spin will contribute a term proportional to... 

Here k is the Fermi wave vector determined from the value of the hole concentration p assuming a spherical Fermi surface, m is the hole effective mass taken as 0.5/no (mo is the free electron mass), is the exchange integral between the holes and the Mn spins, and h is Planck s constant. The transverse and longitudinal magnetic susceptibilities are determined from the magnetotransport data according to x = 3M/dB and xh = M/B. 

---