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• W2047814314 abstract "Hyperdoping has emerged as a promising method for designing semiconductors with unique optical and electronic properties, although such properties currently lack a clear microscopic explanation. Combining computational and experimental evidence, we probe the origin of sub--band-gap optical absorption and metallicity in Se-hyperdoped Si. We show that sub--band-gap absorption arises from direct defect--to--conduction-band transitions rather than free carrier absorption. Density functional theory predicts the Se-induced insulator-to-metal transition arises from merging of defect and conduction bands, at a concentration in excellent agreement with experiment. Quantum Monte Carlo calculations confirm the critical concentration, demonstrate that correlation is important to describing the transition accurately, and suggest that it is a classic impurity-driven Mott transition." @default.
• W2047814314 created "2016-06-24" @default.
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• W2047814314 date "2012-01-11" @default.
• W2047814314 modified "2023-10-16" @default.
• W2047814314 title "Insulator-to-Metal Transition in Selenium-Hyperdoped Silicon: Observation and Origin" @default.
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• W2047814314 doi "https://doi.org/10.1103/physrevlett.108.026401" @default.
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• W2047814314 hasPublicationYear "2012" @default.
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