Gate induced monolayer behavior in twisted bilayer black phosphorus
| Autor: | Oguz Gulseren, Cem Sevik, John Wallbank, François M. Peeters, Deniz Çakır |
|---|---|
| Přispěvatelé: | Anadolu Üniversitesi, Mühendislik Fakültesi, Makine Mühendisliği Bölümü, Sevik, Cem |
| Jazyk: | angličtina |
| Rok vydání: | 2017 |
| Předmět: |
K.p
Materials science Stacking FOS: Physical sciences 02 engineering and technology (K)Over-Right-Arrow . (P)Over-Right-Arrow 01 natural sciences Condensed Matter::Materials Science Effective mass (solid-state physics) Electric field 0103 physical sciences Monolayer Mesoscale and Nanoscale Physics (cond-mat.mes-hall) General Materials Science 010306 general physics Anisotropy Condensed Matter - Mesoscale and Nanoscale Physics Effective Mass Condensed matter physics First Principles Calculations Mechanical Engineering Bilayer Physics Isotropy Black phosphorus General Chemistry 021001 nanoscience & nanotechnology Condensed Matter Physics Electric Field Mechanics of Materials Effective mass Black Phosphorus Density functional theory 0210 nano-technology First principles calculations |
| Zdroj: | Sevik, C, Wallbank, J, Gülseren, O, Peeters, F M & Çakır, D 2017, ' Gate induced monolayer behavior in twisted bilayer black phosphorus ', 2 D Materials, vol. 4, no. 3 . https://doi.org/10.1088/2053-1583/aa80c4 2D materials 2D Materials |
| ISSN: | 2053-1583 |
| DOI: | 10.1088/2053-1583/aa80c4 |
| Popis: | WOS: 000406926600001 Optical and electronic properties of black phosphorus strongly depend on the number of layers and type of stacking. Using first-principles calculations within the framework of density functional theory, we investigate the electronic properties of bilayer black phosphorus with an interlayer twist angle of 90 degrees. These calculations are complemented with a simple (k) over right arrow . (p) over right arrow model which is able to capture most of the low energy features and is valid for arbitrary twist angles. The electronic spectrum of 90 degrees twisted bilayer black phosphorus is found to be x-y isotropic in contrast to the monolayer. However x-y anisotropy, and a partial return to monolayer-like behavior, particularly in the valence band, can be induced by an external out-of-plane electric field. Moreover, the preferred hole effective mass can be rotated by 90 degrees simply by changing the direction of the applied electric field. In particular, a +0.4 (-0.4) V angstrom(1) out-of-plane electric field results in a similar to 60% increase in the hole effective mass along the y (x) axis and enhances the m(y)*/m(x)* (m(x)*/m(y)*) ratio as much as by a factor of 40. Our DFT and (k) over right arrow . (p) over right arrow simulations clearly indicate that the twist angle in combination with an appropriate gate voltage is a novel way to tune the electronic and optical properties of bilayer phosphorus and it gives us a new degree of freedom to engineer the properties of black phosphorus based devices. Scientific and Technological Research Council of Turkey (TUBITAK); FWO-Flanders; Flemish Science Foundation (FWO-Vl); Methusalem foundation of the Flemish government; Hercules foundation; TUBITAK [115F024]; ERC Synergy grant Hetero2D; EU Graphene Flagship Project This work was supported by the bilateral project between the The Scientific and Technological Research Council of Turkey (TUBITAK) and FWO-Flanders, Flemish Science Foundation (FWO-Vl) and the Methusalem foundation of the Flemish government. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TRGrid e-Infrastructure), and HPC infrastructure of the University of Antwerp (CalcUA) a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules foundation. We acknowledge the support from TUBITAK (Grant No. 115F024), ERC Synergy grant Hetero2D and the EU Graphene Flagship Project. We also thank Vladimir Fal'ko for helpful discussions. |
| Databáze: | OpenAIRE |
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