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Within the framework of the envelope function approximation we have computed–without adjustable parameters and with a reduced computational effort due to analytical expression of relevant Hamiltonian terms–the energy levels of the shallow P impurity in silicon and the hyperfine and superhyperfine splitting of the ground state. We have studied the dependence of these quantities on the applied external electric field along the [001] direction. Our results reproduce correctly the experimental splitting of the impurity ground states detected at zero electric field and provide reliable predictions for values of the field where experimental data are lacking. Further, we have studied the effect of confinement of a shallow state of a P atom at the center of a spherical Si-nanocrystal embedded in a SiO2 matrix. In our simulations the valley–orbit interaction of a realistically screened Coulomb potential and of the core potential are …
Springer Berlin/Heidelberg
Publication date: 
1 Jan 2009
Biblio References: 
Pages: 221-239
Electron Spin Resonance and Related Phenomena in Low-Dimensional Structures