  In this paper a multi-band envelope-function Hamiltonian for lattice-matched
semiconductor heterostructures is derived from first-principles norm-conserving
pseudopotentials. The theory is applicable to isovalent or heterovalent
heterostructures with macroscopically neutral interfaces and no spontaneous
bulk polarization. The key assumption -- proved in earlier numerical studies --
is that the heterostructure can be treated as a weak perturbation with respect
to some periodic reference crystal, with the nonlinear response small in
comparison to the linear response. Quadratic response theory is then used in
conjunction with k.p perturbation theory to develop a multi-band effective-mass
Hamiltonian (for slowly varying envelope functions) in which all interface
band-mixing effects are determined by the linear response. To within terms of
the same order as the position dependence of the effective mass, the quadratic
response contributes only a bulk band offset term and an interface dipole term,
both of which are diagonal in the effective-mass Hamiltonian. Long-range
multipole Coulomb fields arise in quantum wires or dots, but have no
qualitative effect in two-dimensional systems beyond a dipole contribution to
the band offsets.
