next up previous
Next: Summary Up: The Current Density Previous: Luttinger-Kohn Effective Mass

Tight-Binding Theories

In the tight-binding approach [15], the wavefunction is expanded in terms of a set of localized states in each atomic layer j

The coefficients can be thought of as forming a block-structured vector with vector elements . The Hamiltonian then becomes a block-structured matrix , of which the diagonal blocks are hermitian and describe interactions within a plane and the off-diagonal blocks are not necessarily hermitian () and describe the coupling between planes. If only nearest-neighbor interactions are included, is block-tridiagonal [16,17] ( only for j = i-1, i, i+1).

Because the tight-binding representation is intrinsically discrete, we need to modify somewhat our concepts of probability and current density. A total probability density is associated with each atomic plane i, and is equal to . The current density represents the flux between adjacent planes; we will write the flux between planes i and i+1 as [18]. Applying (2) to the tight-binding Hamiltonian and assuming only nearest-neighbor interactions, we get

This can be written as a discrete continuity equation,

if is identified as

Here we see the machinery of Green's identity operating in a discrete space.

A variation of the tight-binding scheme is the ``Wannier Orbital Model'' [19], which draws upon the discrete form of the Wannier-Slater theory. Interactions with remote neighbors are included to fit the dispersion, and typically M=1, so that only one band is modeled. Inserting such a Hamiltonian into (2) leads to many terms, which cannot be associated with a particular position. Thus, the notion of a local current density disappears, due to the direct interactions between remote sites. Instead, we may define an antisymmetric current matrix with elements

where is the current flowing out of site i into site j. The nonlocal continuity equation is then



next up previous
Next: Summary Up: The Current Density Previous: Luttinger-Kohn Effective Mass



William R. Frensley
Tue May 23 12:57:57 CDT 1995