2017
DOI: 10.1039/c6cp06583j
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Electronic properties of layered phosphorus heterostructures

Abstract: Two-dimensional (2D) layered phosphorus possesses multiple structural phases with different properties. By using ab initio approaches, the electronic properties of vertical heterostructured compounds of different structural phases of layered phosphorus have been studied. Both type-I (symmetric) and type-II (staggered) band alignments have been realized in the van der Waals heterostructures. Through appropriate doping, the type-II band alignment can be further tuned to type-III (broken). The multiple types of b… Show more

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Cited by 9 publications
(6 citation statements)
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“…In addition to electronic properties, other aspects of blue P, such as thermal conductivity, superconductivity, optical and magnetic properties, , have also been theoretically investigated. To achieve real applications, many vertical heterostructures based on blue P were designed, e.g., black P/blue P, blue P/graphene, blue P/MS 2 (M = Mo, Nb, Ta), , and g-ZnO/blue P . Recently, blue P was also proposed to be a promising candidate for gas molecular sensors …”
Section: Introductionmentioning
confidence: 99%
“…In addition to electronic properties, other aspects of blue P, such as thermal conductivity, superconductivity, optical and magnetic properties, , have also been theoretically investigated. To achieve real applications, many vertical heterostructures based on blue P were designed, e.g., black P/blue P, blue P/graphene, blue P/MS 2 (M = Mo, Nb, Ta), , and g-ZnO/blue P . Recently, blue P was also proposed to be a promising candidate for gas molecular sensors …”
Section: Introductionmentioning
confidence: 99%
“…It is important to address that, in the light of the published works, the single-ξ polarized (SZP) basis set is usually sufficiently accurate for the systems of bulk metal used as the electrode . And, for a FET based on a 2D semiconductor, the doped carriers originating from the metal electrode can greatly shield the electron–electron interaction in the channel.…”
Section: Methodsmentioning
confidence: 99%
“…It is important to address that, in the light of the published works, the single-ξ polarized (SZP) basis set is usually sufficiently accurate for the systems of bulk metal used as the electrode. 58 And, for a FET based on a 2D semiconductor, the doped carriers originating from the metal electrode can greatly shield the electron−electron interaction in the channel. Consequently, the DFT−GGA strategy-based single electron approximation is effective enough to describe the electron behavior of the heavily doped 2D semiconductor and evaluate the SBH in a FET configuration, comparing with the results of the GW method and experiment.…”
Section: Introductionmentioning
confidence: 99%
“…Beyond graphene, h-BN, and TMDs, several other promising semiconductors have also recently attracted much attention in respect to their prominent properties [110, 129134]. Jeon et al utilized the flexible p-type black phosphorus and ZnO to construct van der Waals heterostructures for junction FETs [135].…”
Section: Integration and Characterization Of 2d Pnictogen Fetsmentioning
confidence: 99%