Label the two displacements in cell by , with cell length . Choose the spring within a cell and the spring between cells. The equations are
A Bloch wave gives a two-by-two eigenvalue problem, whose determinant is
Thus the alternating-spring chain dispersion relation is
Periodic boundaries require , so modulo . There are distinct wavenumbers in the Brillouin zone and two branches, accounting for modes. The minus branch is acoustic, with zero frequency and in-phase motion at the centre; the plus branch is optical, with opposite cell displacements.
Expanding the square root near zero gives
At the zone boundary the square root is , so the acoustic maximum is and the optical minimum is . The frequency gap is therefore
Quantizing each harmonic mode gives phonons, bosonic excitations of energy and crystal momentum defined modulo a reciprocal lattice vector. Their group velocity is ; acoustic phonons carry long-wavelength sound, while optical phonons have a nonzero centre frequency. There is one longitudinal polarization per branch here, and phonon number is not conserved in thermal equilibrium.
Label the two atoms in primitive cell by and , with understood modulo because of the periodic boundary condition. Choose the spring between them to have constant . Newton's second law gives
For a longitudinal normal mode, put
Periodicity requires , so . Since the primitive-cell length is , wavevectors differing by describe the same mode, and the first Brillouin zone may be chosen as
The amplitudes obey
Setting its determinant to zero gives the alternating-spring chain dispersion relation
The lower sign is the acoustic phonon branch and the upper sign is the optical phonon branch.
At the edge of the Brillouin zone,
so the frequency band gap is
It vanishes at , when the apparent two-atom primitive cell can be reduced to one atom.
Near the centre of the Brillouin zone, a Taylor expansion gives
and
The group velocity of the acoustic branch at long wavelength is the speed of sound,
Figure 1.
Dispersion relation of the alternating-spring chain
. The acoustic and optical branches for alpha equal to 0.35. The vertical separation at the Brillouin-zone edge is the frequency gap. Details.
Let the nearest-neighbour spacing be , so the primitive unit cell has length . Denote the two longitudinal displacements in cell by , with spring within each cell and spring between cells. Hooke's law and Newton's second law give
For normal modes and , the two amplitudes satisfy
Its vanishing determinant gives the alternating-spring chain dispersion relation
The minus sign is the acoustic phonon branch, with and at the origin. The plus sign is the optical phonon branch, with at the origin. For positive springs the acoustic phonon branch rises from zero to at the Brillouin zone edge; the optical phonon branch falls from to . Their long-wavelength limits are
Thus the leading frequency in the strong-bond limit of the alternating-spring chain is , the internal stretching frequency of a pair with reduced mass .
Figure 1.
Acoustic and optical branches of an alternating-spring chain
. Original calculated dispersions for , using the two-atom primitive cell. Frequencies are in units of . Details.
Let adjacent equal masses be separated by , with alternating strong and weak spring constants and , . The pattern repeats after , even though the masses are identical. Thus the first Brillouin zone is
Choose the strong bond inside each two-atom primitive unit cell. With displacement amplitudes , the normal mode equations are
The alternating-spring chain dispersion relation is consequently
The lower acoustic phonon branch has in-phase motion within the strongly bound pair and . Its small- slope is the speed of sound,
The upper optical phonon branch has opposite motion within each pair, with . Here “optical” names the gapped branch; equal neutral masses need not couple to light through an electric dipole.
In the strong-bond limit of the alternating-spring chain, the pairs act almost as rigid dimers in the low-frequency branch, while their internal stretch gives a high, nearly flat branch:
At the zone edge the two frequencies are and , separated by a large forbidden frequency interval. Neighbouring cells are out of phase there. Both branches have horizontal tangents at the edge.
Figure 1.
Phonon branches and displacement patterns of a strongly dimerized equal-mass chain
. Original calculation for . The horizontal coordinate uses the two-atom-cell Brillouin-zone boundary. Strong solid bonds and weak dashed bonds identify each dimer. Arrows show relative displacements at the zone centre and edge; their overall sign and amplitude are arbitrary. Details.
Take equal masses , atomic spacing , and alternating springs . The primitive unit cell contains a strong-bonded pair, so its length is and the Brillouin zone ends at . Expanding the exact alternating-spring chain dispersion relation gives
The low-frequency acoustic phonon branch moves almost rigid dimers of mass coupled by weak springs; its speed of sound tends to . The high-frequency optical phonon branch describes internal dimer stretch. At the zone edge the exact frequencies are and .