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Tight-Binding Band Structure

The simplest model of a solid: one orbital per site, an on-site energy, and a hopping amplitude tt to neighbours. Bloch's theorem turns it into a band E(k)=ε02tcoskaE(k)=\varepsilon_0-2t\cos ka for the 1D chain (width 4t4t), the curvature at the bottom fixing the effective mass m=2/2ta2m^*=\hbar^2/2ta^2. Dimerize the chain (alternating t1,t2t_1,t_2) and a gap 2t1t22|t_1-t_2| opens at the zone boundary, the SSH insulator. On the 2D square lattice E=2t(coskxa+coskya)E=-2t(\cos k_xa+\cos k_ya) has a van Hove saddle and a Fermi surface that you can fill by dragging EFE_F.

Figure 1. Tight-binding dispersion with the filled states and density of states (1D / SSH), or the 2D band and Fermi surface. Method: closed-form Bloch dispersion; SSH 2x2 Hamiltonian; 2D Fermi-surface contouring.
lattice
hopping t1.00
dimerization0.50
Fermi level E_F0.00

WHAT TO TRY

  • Vary each control and watch the rail readouts respond.
  • Compare the diagnostic plot against the live scene.