Band engineering in transition metal dichalcogenides: Stacked versus lateral heterostructures
Accepted version
Peer-reviewed
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Repository DOI
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Authors
Guo, Yuzheng
Robertson, John
Abstract
jats:pWe calculate a large difference in the band alignments for transition metal dichalcogenide (TMD) heterojunctions when arranged in the stacked layer or lateral (in-plane) geometries, using direct supercell calculations. The stacked case follows the unpinned limit of the electron affinity rule, whereas the lateral geometry follows the strongly pinned limit of alignment of charge neutrality levels. TMDs therefore provide one of the few clear tests of band alignment models, whereas three-dimensional semiconductors give less stringent tests because of accidental chemical trends in their properties.</jats:p>
Description
Keywords
51 Physical Sciences, 5104 Condensed Matter Physics
Journal Title
APPLIED PHYSICS LETTERS
Conference Name
Journal ISSN
0003-6951
1077-3118
1077-3118
Volume Title
108
Publisher
AIP Publishing
Publisher DOI
Sponsorship
European Commission (285275)
European Commission (project Grafol)