Strain-controlled thermoelectric properties of phosphorene hetero-bilayers

Abstract

The application of strain to 2D materials allows manipulating the electronic, magnetic, and thermoelectric properties. These physical properties are sensitive to slight variations induced by tensile and compressive strain and to the uniaxial strain direction. Herein, we take advantage of the reversible semiconductor-metal transition observed in certain monolayers to propose a hetero-bilayer device. We propose to pill up phosphorene (layered black phosphorus) and carbon monosulfide monolayers. In the first, such transition appears for positive strain, while the second appears for negative strain. Our first-principle calculations show that depending on the direction of the applied uniaxial strain; it is possible to achieve reversible control in the layer that behaves as an electronic conductor while the other layer remains as a thermal conductor. The described strain-controlled selectivity could be used in the design of novel devices.

arXiv comment8 pages, 8 figures

References in corpus (23)

• Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
• Canonical sampling through velocity-rescaling
• BoltzTraP. A code for calculating band-structure dependent quantities
• Isolation and characterization of few-layer black phosphorus
• Strain-induced gap modification in black phosphorus
• Strain-Engineering Anisotropic Electrical Conductance of Phosphorene and Few-Layer Black Phosphorus
• Direct Observation of Layer-Dependent Electronic Structure in Phosphorene
• Monolayer MXenes: promising half-metals and spin gapless semiconductors
• Electronic properties of the MoS2-WS2 heterojunction
• Enhanced thermoelectric performance of phosphorene by strain-induced band convergence
• Strain-induced enhancement of thermoelectric performance in a ZrS2 monolayer
• Observation of Low-frequency Interlayer Breathing Modes in Few-layer Black Phosphorus
• A New Phosphorus Allotrope with Direct Band Gap and High Mobility
• Experimental evidence of monolayer arsenene: An exotic two-dimensional semiconducting material
• Diameter dependence of thermoelectric power of semiconducting carbon nanotubes
• Electronic transport through bilayer graphene flakes
• Thermoelectric properties of orthorhombic group IV-VI monolayers from the first-principles calculations
• Mechanically Controlled Quantum Interference in Graphene Break Junctions
• Theoretical studies of electronic transport in mono- and bi-layer phosphorene: A critical overview
• Strain-induced phase transition in CrI${}_3$ bilayers
• Structure and Stability of Two Dimensional Phosphorene with =O or =NH Functionalization
• Carbon Monosulfide Nanostructures: Chains Arrays, Monolayers, and Thin Films
• Highly anisotropic thermoelectric properties of carbon sulfide monolayers