Consider an infinite 1D chain of H₂ molecules where the molecular axis is oriented perpendicular to the chain direction, as shown below.

(a) How many bands are there in the band structure?

(b) Sketch the crystal orbitals for each band at k = 0 and k = π/a.

(c) Sketch out the band structure of this chain and include the position of the Fermi level.

(d) Sketch a DOS plot.

(e) Would you expect this chain to be a metallic conductor? Develop your answer using the bonding and antibonding MOs of the H₂ molecule.

Transcribed Image Text:

H +++ H I H + H H I H ++ H I