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- W2021038211 abstract "The ground state of acceptors in Ge is investigated with both the electronic and structural properties of the impurity center taken into account. First-principles pseudopotential supercell calculations are performed in the central-cell region, while the effective-mass method is used to describe the long-range behavior of the impurity state. This approach allows us to evaluate the chemical shift of the acceptor ground state and to establish the relative importance of the contributions coming from electronic screening, lattice relaxation, spin-orbit interaction, and polarization of the acceptor wave function in the central cell. An atomiclike modification of the Bloch functions of Ge near the impurity core is essential to recover the experimental values of the ionization energy." @default.
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- W2021038211 title "Analysis of acceptor chemical shifts in Ge" @default.
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- W2021038211 doi "https://doi.org/10.1103/physrevb.45.5944" @default.
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