The Electronic Structure of Oxygen in Silicon as Revealed by Volume Visualization of Ab Initio Calculations

@inproceedings{Wolfe1991TheES,
  title={The Electronic Structure of Oxygen in Silicon as Revealed by Volume Visualization of Ab Initio Calculations},
  author={Robert H. Wolfe and Mark Needels and John D. Joannopoulos},
  booktitle={IEEE Visualization},
  year={1991}
}
We apply volumetric rendering to the interpretation of atomic-scale data generated from quantum molecular dynamics computations. In particular, we examine silicon computations, and we discover that volumetric visualization of the computed 3D electronic charge density is a valuable tool for identifying defect states in silicon lattices in which oxygen atoms occur as impurities. Rendering of several judiciously selected ranges of charge density in translucent colors provides an effective means of… CONTINUE READING