This work studies multielectron configurations in phosphorus-doped silicon devices with atomistic Hartree–Fock calculations. It shows how electron–electron interaction can substantially reshape donor wave functions relative to the single-electron picture.
Keywords: silicon dopants
Main result: many-electron effects can significantly modify donor-state wave functions in P-doped silicon devices. A purely single-particle description is insufficient once realistic charging is included.
PDF: PRB_maicol2.pdf