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Problem: Hybridization of Energy Bands

    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 tex2html_wrap_inline5147 ; in nickel tex2html_wrap_inline5147 cuts into the narrow band.) A simple one-dimensional model can be constructed from a tight-binding Hamiltonian for the broad band, tex2html_wrap_inline6257 , and from tex2html_wrap_inline6259 , to describe nonoverlapping, localized electrons. Here tex2html_wrap_inline6261 and tex2html_wrap_inline6263 create and annihilate an s-wave-type electron in unit cell i; tex2html_wrap_inline6269 and tex2html_wrap_inline6271 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:  

equation1982

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) tex2html_wrap_inline6273 and (b) for tex2html_wrap_inline6275 .

 


This document can be accessed on the World Wide Web at "http//:solidstate.physics.sunysb.edu/book/prob/ ".

Laszlo Mihaly
Thu Oct 31 13:23:11 EST 1996


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