In certain materials
a narrow energy band, due to the d orbitals of the atoms, lies within a
broad energy band, originating from s-type
atomic orbitals. (For example, in copper the Fermi energy is in the middle of the
broad band and the narrow band lies somewhat below
; in nickel
cuts into the narrow band.) A simple one-dimensional model
can be constructed from a tight-binding Hamiltonian for the broad band,
, and from
, to describe nonoverlapping, localized
electrons. Here
and
create and annihilate an s-wave-type
electron in unit cell i;
and
create and annihilate a
localized electron. The electron operators obey the usual
anticommutation relations.
The total Hamiltonian includes a term to describe the possible
hopping of the electron from the localized orbit to the delocalized state
and back:
The spin indices are not used, since none of the processes involve spin flips.
Calculate the energy spectrum of the of the electrons for (a)
and (b) for
.
Laszlo Mihaly
Thu Oct 31 13:23:11 EST 1996