Phys Chem Chem Phys
Department of Physics, Panjab University, Chandigarh 160014, India.
Published: August 2017
The van der Waals heterostructures of allotropes of phosphorene (α- and β-P) with MoSe (H-, T-, ZT- and SO-MoSe) are investigated in the framework of state-of-the-art density functional theory. The semiconducting heterostructures, β-P/H-MoSe and α-P/H-MoSe, form anti-type structures with type I and type II band alignments, respectively, whose bands are tunable with an external electric field. α-P/ZT-MoSe and α-P/SO-MoSe form ohmic semiconductor-metal contacts while the Schottky barrier in β-P/T-MoSe can be reduced to zero by an external electric field to form ohmic contacts which is useful to realize high-performance devices. Simulated STM images of the given heterostructures reveal that α-P can be used as a capping layer to differentiate between various allotropes of underlying MoSe. The dielectric response of the considered heterostructures is highly anisotropic in terms of lateral and vertical polarization. The tunable electronic and dielectric response of van der Waals phosphorene/MoSe heterostructures may find potential applications in the fabrication of optoelectronic devices.
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http://dx.doi.org/10.1039/c7cp03960c | DOI Listing |
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