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Sevik, Cem; Wallbank, John R; Peeters, François M; Gülseren, Oğuz; Çakır, Deniz, E-mail: csevik@anadolu.edu.tr, E-mail: john.wallbank@manchester.ac.uk, E-mail: gulseren@fen.bilkent.edu.tr, E-mail: francois.peeters@uantwerpen.be, E-mail: deniz.cakir@und.edu2017
AbstractAbstract
[en] 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°. These calculations are complemented with a simple model which is able to capture most of the low energy features and is valid for arbitrary twist angles. The electronic spectrum of 90° 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° simply by changing the direction of the applied electric field. In particular, a 0.4 (−0.4) V out-of-plane electric field results in a ∼60% increase in the hole effective mass along the () axis and enhances the () ratio as much as by a factor of 40. Our DFT and 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. (paper)
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Available from http://dx.doi.org/10.1088/2053-1583/aa80c4; Country of input: International Atomic Energy Agency (IAEA)
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Journal Article
Journal
2D Materials; ISSN 2053-1583;
; v. 4(3); [8 p.]

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