We propose germanium-vacancy complexes (GeVn) as a viable ingredient to exploit single-atom quantum effects in silicon devices at room temperature. Our predictions, motivated by the high controllability of the location of the defect via accurate single-atom implantation techniques, are based on ab-initio Density Functional Theory calculations within a parameterfree screened-dependent hybrid functional scheme, suitable to provide reliable bandstructure energies and defect-state wavefunctions. The resulting defect-related excited states, at variance with those arising from conventional dopants such as phosphorous, turn out to be deep enough to ensure device operation up to room temperature and exhibit a far more localized wavefunction.

GeVn complexes for silicon-based room-temperature single-atom nanoelectronics / S. Achilli, N. Manini, G. Onida, T. Shinada, T. Tanii, E. Prati. - In: SCIENTIFIC REPORTS. - ISSN 2045-2322. - 8:1(2018 Dec 21).

GeVn complexes for silicon-based room-temperature single-atom nanoelectronics

S. Achilli
Primo
;
N. Manini
Secondo
;
G. Onida;E. Prati
2018-12-21

Abstract

We propose germanium-vacancy complexes (GeVn) as a viable ingredient to exploit single-atom quantum effects in silicon devices at room temperature. Our predictions, motivated by the high controllability of the location of the defect via accurate single-atom implantation techniques, are based on ab-initio Density Functional Theory calculations within a parameterfree screened-dependent hybrid functional scheme, suitable to provide reliable bandstructure energies and defect-state wavefunctions. The resulting defect-related excited states, at variance with those arising from conventional dopants such as phosphorous, turn out to be deep enough to ensure device operation up to room temperature and exhibit a far more localized wavefunction.
multidisciplinary
Settore FIS/03 - Fisica della Materia
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Utilizza questo identificativo per citare o creare un link a questo documento: http://hdl.handle.net/2434/614644
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