We present a scalable method for calculating the electronic properties of a delta-doped phosphorus layer in silicon and germanium. Our calculations are based on an sp(3)d(5)s* tight-binding model and the Thomas-Fermi-Dirac approximation. The energy shift in the lowest conduction band states of the Ge band structure is characterized and a comparison is made to a delta-doped P layer in Si. The results for the delta-doped Si:P layer themselves compare well to the predictions of more "resource intensive" computational models. The Thomas-Fermi method presented herein scales easily to large system sizes. Efficient scaling is important for the calculation of quantum transport properties in delta-doped semiconductors that are currently of experimental interest.
History
Journal
Physical Review B (Condensed Matter and Materials Physics)