Insulator-to-Metal Transition in Selenium-Hyperdoped Silicon: Observation and Origin
Author(s)
Ertekin, Elif; Winkler, Mark Thomas; Recht, Daniel; Said, Aurore J.; Aziz, Michael J.; Grossman, Jeffrey C.; Buonassisi, Anthony; ... Show more Show less
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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.
Date issued
2012-01Department
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 ProductivityJournal
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
ISSN
0031-9007
1079-7114