Pseudopotential Theory of Shallow-Donor Ground States
- 15 July 1973
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 8 (2), 652-659
- https://doi.org/10.1103/physrevb.8.652
Abstract
The effective-mass theory of shallow impurity states is given a pseudopotential formulation. A first-principles pseudopotential is constructed accounting for orthogonalization to the impurity core states, spatial dependence of the dielectric constant, and the spatial dependence of the core shielding. Valley-orbit coupling is included, and a correction is made for the energy shift due to the deformation produced by the size difference of the host and impurity atoms. A variational calculation is done for the ground states of P, As, and Sb in Si, and good results are obtained for the lowest ground states () of P and Sb, poor results for As.
Keywords
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