GeP3: A small indirect band gap 2D crystal with high carrier mobility and strong interlayer quantum confinement

Abstract

We propose a two-dimensional crystal which possesses low indirect band gaps of 0.55 eV (monolayer) and 0.43 eV (bilayer) and high carrier mobilities similar to those of phosphorene: GeP3. GeP3 has a stable three-dimensional layered bulk counterpart which is metallic and is known from experiment since 1970. It has a small cleavage energy, which suggests exfoliation of bulk material as viable means for the preparation of mono- and few-layer materials. The material shows strong interlayer quantum confinement effects, resulting in a band gap reduction from mono- to bilayer, and then to a semiconductor-metal transition between bi- and triple layer. Under biaxial strain, the indirect band gap can be turned into a direct one. Pronounced light absorption in the spectral range from ~600 to 1400 nm is predicted for monolayer and bilayer and promises applications in photovoltaics.

14 pages, 5 figures, submitted

References in corpus (7)

• Electric Field Effect in Atomically Thin Carbon Films
• Two Dimensional Atomic Crystals
• Germanene: a novel two-dimensional Germanium allotrope akin to Graphene and Silicene
• Semiconducting layered blue phosphorus: A computational study
• Anisotropic intrinsic lattice thermal conductivity of phosphorene from first principles
• Performance of arsenene and antimonene double-gate MOSFETs from first principles
• Experimental Demonstration of an Electride as a 2D Material

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