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Breaking the doping limit in silicon by deep impurities

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arxiv 1809.06055 v3 pith:GLRVOVRB submitted 2018-09-17 cond-mat.mtrl-sci

Breaking the doping limit in silicon by deep impurities

classification cond-mat.mtrl-sci
keywords dopingimpuritiesconcentrationdeeplimitconcentrationsdimerselectron
verification ladder T0 review T1 audit T2 compute T3 formal T4 reserved
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N-type doping in Si by shallow impurities, such as P, As and Sb, exhibits an intrinsic limit due to the Fermi-level pinning via defect complexes at high doping concentrations. Here we demonstrate that doping Si with the chalcogen Te by non-equilibrium processing, a deep double donor, can exceed this limit and yield higher electron concentrations. In contrast to shallow impurities, both the interstitial Te fraction decreases with increasing doping concentration and substitutional Te dimers become the dominant configuration as effective donors, leading to a non-saturating carrier concentration as well as to an insulator-to-metal transition. First-principle calculations reveal that the Te dimers possess the lowest formation energy and donate two electrons per dimer to the conduction band. These results provide novel insight into physics of deep impurities and lead to a possible solution for the ultra-high electron concentration needed in today's Si-based nanoelectronics.

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