Insulator-to-Metal Transition in Selenium-Hyperdoped Silicon: Observation and Origin

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Insulator-to-Metal Transition in Selenium-Hyperdoped Silicon: Observation and Origin

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Title: Insulator-to-Metal Transition in Selenium-Hyperdoped Silicon: Observation and Origin
Author: Ertekin, Elif; Winkler, Mark T.; Recht, Daniel; Said, Aurore J.; Aziz, Michael J.; Buonassisi, Tonio; Grossman, Jeffrey C.

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Citation: Ertekin, Elif, Mark T. Winkler, Daniel Recht, Aurore J. Said, Michael J. Aziz, Tonio Buonassisi, and Jeffrey C. Grossman. 2012. “Insulator-to-Metal Transition in Selenium-Hyperdoped Silicon: Observation and Origin.” Physical Review Letters 108, no. 2. doi:10.1103/physrevlett.108.026401.
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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.
Published Version: doi:10.1103/PhysRevLett.108.026401
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Citable link to this page: http://nrs.harvard.edu/urn-3:HUL.InstRepos:27417437
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