Insulator-to-Metal Transition in Selenium-Hyperdoped Silicon: Observation and Origin
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Ertekin-2012-Insulator-to-Metal Transition in Selenium.pdf
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Author(s)
Ertekin, Elif
Winkler, Mark Thomas
Recht, Daniel
Said, Aurore J.
Aziz, Michael J.
Grossman, Jeffrey C.
Buonassisi, Anthony
Date Issued
January 2012
Journal
Physical Review Letters
Publisher
American Physical Society
Citation
Ertekin, Elif et al. “Insulator-to-Metal Transition in Selenium-Hyperdoped Silicon: Observation and Origin.” Physical Review Letters 108.2 (2012). © 2012 American Physical Society
Version
Final published version
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.
MIT Department
Massachusetts Institute of Technology. Department of Materials Science and Engineering
Massachusetts Institute of Technology. Department of Mechanical Engineering
Massachusetts Institute of Technology. Laboratory for Manufacturing and Productivity
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Article is made available in accordance with the publisher's policy and may be subject to US copyright law. Please refer to the publisher's site for terms of use.
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DOI of Published Version
https://doi.org/10.1103/PhysRevLett.108.026401
