Contents
1. Preliminary Information
2. Finite, one-dimensional systems - One basis function
2.1 Linear chains
2.2 Rings
3. Finite, one-dimensional systems - Three basis functions
3.1 Linear chains - Three basis functions
3.2 Rings - Three basis functions
4. Infinite rings - Three basis functions
5. Infinite rings - One basis function - Alternating / Non-alternating bond lengths
5.1 First case: β1 = β2
5.2 Second case: β1 ≠ β2
6. Infinite rings - Three basis functions - Alternating bond lengths
7. Density of states (DOS)
7.1 DOS of the pπ band
7.2 DOS of the pσ and the sσ bands
8. Crystal Orbital Overlap Population (COOP)
9. Overview: Energy band, DOS and COOP
10. Band structure of a two-dimensional carbon lattice
11. Summary of formulae