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Band Offset Models of Three-Dimensionally Bonded Semiconductors and Insulators

Guo, Y.; Li, H.; Clark, S.J.; Robertson, J.

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Authors

Y. Guo

H. Li

J. Robertson



Abstract

The band offsets of heterojunctions of three-dimensionally (3D) bonded semiconductors lie between two limits, the electron affinity rule (unpinned limit) and the matching of the charge neutrality levels (CNLs), equivalent to the pinned limit. It is shown that it has been difficult to compare the validity of these cases because most experimental and theoretical tests require a lattice matching across the heterojunction, and most semiconductors with the same lattice constant have similar average band energies referred to the vacuum level. A second point is that the CNL when referenced to the vacuum level varies surprisingly weakly with the midgap energy with respect to the vacuum level. A calculation of band offsets for heterojunctions with larger lattice mismatch provides a stronger test, and this result is found to favor the CNL matching model. This result is important for many practical device heterojunctions, where unmatched interfaces are common.

Citation

Guo, Y., Li, H., Clark, S., & Robertson, J. (2019). Band Offset Models of Three-Dimensionally Bonded Semiconductors and Insulators. Journal of Physical Chemistry C, 123(9), 5562-5570. https://doi.org/10.1021/acs.jpcc.9b00152

Journal Article Type Article
Acceptance Date Feb 10, 2019
Online Publication Date Feb 12, 2019
Publication Date Mar 7, 2019
Deposit Date Mar 5, 2019
Publicly Available Date Feb 12, 2020
Journal Journal of Physical Chemistry C
Print ISSN 1932-7447
Electronic ISSN 1932-7455
Publisher American Chemical Society
Peer Reviewed Peer Reviewed
Volume 123
Issue 9
Pages 5562-5570
DOI https://doi.org/10.1021/acs.jpcc.9b00152

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Accepted Journal Article (330 Kb)
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Copyright Statement
This document is the Accepted Manuscript version of a Published Work that appeared in final form in Journal of physical chemistry C, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see https://doi.org/10.1021/acs.jpcc.9b00152





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