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Band engineering in transition metal dichalcogenides: Stacked versus lateral heterostructures

Accepted version
Peer-reviewed

Type

Article

Change log

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

Volume Title

108

Publisher

AIP Publishing
Sponsorship
European Commission (285275)
European Commission (project Grafol)