Bragg point 2026-10-03
A Bragg point is a crystal momentum at which two plane waves differing by a reciprocal lattice vector are degenerate. A periodic potential mixes the waves there, producing an avoided crossing and opening a band gap.
Let . The free states and are degenerate at the Bragg point . Since
degenerate perturbation theory restricts the Hamiltonian near this crossing to
Writing and diagonalizing gives the nearly-free electron dispersion near a one-dimensional band gap
Thus the two continuous bands avoid crossing, and at their separation is
This is the nearly-free electron model. The dispersion relation is the relation between energy and Bloch wavevector.
For the specified potential,
Hence
and all other nonconstant Fourier coefficients vanish. The gaps are therefore
Their centre energies are respectively
The extended-zone sketch consists of the free-particle parabolas shifted upward by , with avoided crossings of these two widths at the listed Bragg points; elsewhere they meet to this order because the corresponding Fourier coefficients vanish.
Figure 1.
Extended-zone nearly-free-electron bands and their two nonzero gaps
. Gray curves are the intersecting free-electron parabolas. Colored avoided crossings show the larger n equals 2 gap at ka over pi equals plus or minus 2 and the smaller n equals 4 gap at plus or minus 4.