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Cited by 477

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Band alignment of two-dimensional semiconductors for designing heterostructures with momentum space matching

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Özçelik, V. Ongun, Azadani, Javad G., Yang, Ce, Koester, Steven J., Low, Tony·2016·Physical Review B

Abstract

We present a comprehensive study of the band alignments of two-dimensional (2D) semiconducting materials and highlight the possibilities of forming momentum-matched type I, II, and III heterostructures, an enticing possibility being atomic heterostructures where the constituent monolayers have band edges at the zone center, i.e., $\mathrm{\ensuremath{\Gamma}}$ valley. Our study, which includes the group IV and III-V compound monolayer materials, group V elemental monolayer materials, transition-metal dichalcogenides, and transition-metal trichalcogenides, reveals that almost half of these materials have conduction and/or valence band edges residing at the zone center. Using first-principles density functional calculations, we present the type of the heterostructure for 903 different possible combinations of these 2D materials which establishes a periodic table of heterostructures.

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Metadata

Authors
Özçelik, V. O., Azadani, J. G., Yang, C., Koester, S. J., & Low, T.
Venue
Physical Review B
Published
2016-07-11
Volume
94
Issue
3
ISSN
  • 2469-9950 (ISSN-L)
  • 2469-9969
OpenAlex
W2294304493
Cited by
477
References
6
FWCI
16.30
Type
journal article
Language
en
Open access
green

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CoChat. (2026). Citation check: Band alignment of two-dimensional semiconductors for designing heterostructures with momentum space matching. https://app.cochat.ai/papers/10.1103/physrevb.94.035125
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Özçelik, V. O., Azadani, J. G., Yang, C., Koester, S. J., & Low, T. (2016). Band alignment of two-dimensional semiconductors for designing heterostructures with momentum space matching. Physical Review B. https://doi.org/10.1103/physrevb.94.035125

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