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

Wannier-Slater Effective Mass Theory

In the approach to effective-mass theory proposed by Wannier [7] and expounded by Slater [8], the microscopic wavefunction is expanded as a linear combination of localized Wannier functions, each of which is centered within a different unit cell. The expansion coefficients can be regarded as values of a discrete lattice function which is interpolated between lattice points by a continuous function , for which an effective-mass Schroedinger equation is derived. If the electron dispersion relation can be expanded as

then the effective Hamiltonian is

 

The presence of higher derivatives in the kinetic energy operator is clearly required if one is to describe anything but a parabolic dispersion relation within the context of a single-band, continuum model. These higher derivatives, however, require that the wavefunction and its derivative (in fact all derivatives up to the order) be continuous. This contradicts the prevailing wisdom, that current continuity requires a kink in the wavefunction (discontinuous first derivative) across a heterojunction which creates an effective-mass discontinuity. This view is incorrect, and the present work attempts to clarify the situation. In the case of a higher-order hamiltonian, there are of course additional solutions (roots of the dispersion relation), which will usually be evanescent at the energies of interest. These evanescent solutions participate in the interface matching equations, and have the effect of keeping the wavefunction and the subject derivatives continuous over a microscopic distance scale, but over mesoscopic scale, the expected kink would appear.

To derive the appropriate J for this Hamiltonian, we require a generalized Green's identity:

 

(This identity is readily proven by expanding the derivative on the right-hand side; the summation then becomes a telescoping series.) The value of current density is thus

 

Some formulations of the matching conditions produce terms in the Hamiltonian of the form

 

Their contribution to the current density may be readily derived from another identity:

leading to contributions to the current density of

It appears (based upon an examination of some low-order cases) that any apparently hermitian differential operator [9] can be manipulated into an expression containing only terms of the form (4) and (7).



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



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