Structure in hand

3D Band Structure Visualization

This project was undertaken for a numerical analysis course. The project uses the tight binding model with the hamiltonian parameters supplied by Chadi and Cohen (D. J. Chadi and Marvin L. Cohen. Tight-binding calculations of the valence bands of diamond and zincblende crystals. phys. stat. sol., 68:405, 1975.). It calculates the eigenvalues for a 2D plane in the first Brillouin zone, and saves those eigen values to a 3D model file, where x and y are mapped to the position on the plane, and z is the eigenvalue in eV. This is then imported into Blender, skinned, scaled, and printed on a ZCorp 310 printer. As a future project, even more interesting shapes could be obtained by incorporating external fields into the calculation.

Diamond

Diamond Band Structure

GaAs

Diamond Band Structure

Poster presented at the undergraduate research symposium:

Research Poster

References

  • Neil W. Ashcroft and N. David Mermin. Solid State Physics. Brooks/Cole, 1976.
  • D. J. Chadi and Marvin L. Cohen. Tight-binding calculations of the valence bands of diamond and zincblende crystals. phys. stat. sol., 68:405, 1975.
  • Walter A. Harrison. Electronic Structure and the Properties of Solids. Dover Publications, Inc., New York, 1989.
  • Charles Kittel. Solid State Physics. John Wiley & Sons, Inc., 2nd edition, 1962.
  • Richard P. Muller and William A. Goddard III. harrison.py. http://www.wag.caltech.edu/home/rpm/projects/tight-binding/, March 2005.