Computing Band Structures in Undergraduate Solid State

Understanding band structures is quite challenging for undergraduate solid state physics students. Calculating the band structures is even more difficult. However, using the techniques developed earlier [1], and which were applied to the simple cubic structures, it is possible to extend them to semiconducting systems in a simple way. The idea is to employ the 8-band model concept of Harrison's Hamiltonian approach [2] to model and parametrize the bands. The method also uses the system's band structure's Green's function and employs the k-space Brillouin-zone ray approach [3] combined with a complex integration method [4] to obtain the density of states. The number of occupied electron states up to a certain energy is obtained using Romberg's method and example results will be shown. [1] Javier Hasbun (J42.00013) http://meetings.aps.org/Meeting/MAR10/Event/119248 [2] S. Froyen, and W. A. Harrison, Phys. Rev. B Vol. 20, 2420 (1979). [3] An-Ban Chen, Phys. Rev. B, Vol. 16, 3291 (1977). [4] Javier Hasbun http://meetings.aps.org/link/BAPS.2009.MAR.L29.12