Finding novel atomically thin heterostructures and understanding their electronic properties is critical for developing better nanoscale electronic and optoelectronic devices. In this work, we investigate the structural and electronic properties of arsenene/GaS van der Waals (vdW) heterostructures using first-principles calculations. Our results suggest that this heterostructure has an intrinsic type-II band alignment and an indirect band gap. Comparing the calculated band edge positions to the redox potentials of water, we identify that the arsenene/GaS vdW heterostructure is a promising photocatalyst for water splitting. Moreover, we also find that intriguing indirect–direct and semiconductor–metal transitions can be induced by strain. In particular, under certain strain, degenerate valleys of conduction band bottoms will be created, which suggests potential applications in valleytronics.
Tunable electronic properties of arsenene/GaS van der Waals heterostructures
Xiao-Hua Li,Baoji Wang,X. Cai,Liwei Zhang,Guo‐Dong Wang,S. Ke
Published 2017 in RSC Advances
ABSTRACT
PUBLICATION RECORD
- Publication year
2017
- Venue
RSC Advances
- Publication date
2017-05-25
- Fields of study
Chemistry, Materials Science, Physics
- Identifiers
- External record
- Source metadata
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CLAIMS
CONCEPTS
- arsenene/gas vdw heterostructure
A van der Waals heterostructure formed by stacking arsenene and GaS monolayers.
Aliases: arsenene/GaS van der Waals heterostructure, arsenene/GaS heterostructure, vdW heterostructure
- degenerate valleys
Multiple conduction-band minima that become equal in energy under strain.
Aliases: valley degeneracy, degenerate conduction-band valleys
- indirect band gap
A band gap in which the valence-band maximum and conduction-band minimum occur at different crystal momenta.
Aliases: indirect gap
- indirect-direct transition
A strain-driven change in which the electronic band gap switches between indirect and direct character.
Aliases: indirect to direct transition, direct band gap transition
- semiconductor-metal transition
A strain-driven change in which the material switches between semiconducting and metallic behavior.
Aliases: metal-semiconductor transition, semiconductor to metal transition
- strain
Applied mechanical deformation used to tune the heterostructure's lattice and electronic structure.
Aliases: applied strain
- type-ii band alignment
A band alignment in which the conduction- and valence-band edges reside in different layers of the heterostructure.
Aliases: type II band alignment
- valleytronics
A device concept that exploits electron valley degrees of freedom for information processing.
- water splitting photocatalyst
A photocatalytic material evaluated for driving water-splitting reactions using its electronic band-edge positions.
Aliases: photocatalyst for water splitting
REFERENCES
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