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Two-atom basis (square)

Lattices & Geometry

Multiple atoms per unit cell turn a simple lattice into a richer crystal: a square lattice with two identical rods at (0.25,0.25)(0.25, 0.25) and (0.75,0.75)(0.75, 0.75) effectively doubles the band count and folds the bands of the underlying simple square. This is also the entry point for sublattice symmetry breaking, where the two atoms differ in radius or permittivity.

Explorer
▾two-atom-basis/
two_atom.py
1from blaze import BulkDriver
2
3# Two rods per cell, one at (0.25, 0.25), one at (0.75, 0.75).
4driver = BulkDriver("two_atom.toml")
5
6for result in driver.run_streaming():
7    print("atoms:", len(result["params"]["atoms"]))
8    print(result["num_bands"], "bands ×", result["num_k_points"], "k-points")

Band diagram

Run the example to see the band diagram.

Result · BandResult

Run the example to inspect the result object.
Examples