Abstract
We 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.
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Dates
Type | When |
---|---|
Created | 9 years, 2 months ago (June 7, 2016, 1 p.m.) |
Deposited | 2 years, 2 months ago (July 1, 2023, 11:06 a.m.) |
Indexed | 3 weeks, 5 days ago (Aug. 6, 2025, 9:45 a.m.) |
Issued | 9 years, 2 months ago (June 6, 2016) |
Published | 9 years, 2 months ago (June 6, 2016) |
Published Online | 9 years, 2 months ago (June 7, 2016) |
Published Print | 9 years, 2 months ago (June 6, 2016) |
Funders
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European Commission
10.13039/501100000780
Region: Europe
gov (National government)
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Awards
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- FP7-2011-NMP-ICT-FoF 285275
@article{Guo_2016, title={Band engineering in transition metal dichalcogenides: Stacked versus lateral heterostructures}, volume={108}, ISSN={1077-3118}, url={http://dx.doi.org/10.1063/1.4953169}, DOI={10.1063/1.4953169}, number={23}, journal={Applied Physics Letters}, publisher={AIP Publishing}, author={Guo, Yuzheng and Robertson, John}, year={2016}, month=jun }