Theoretical Studies of Electronic Transport in Monolayer and Bilayer Phosphorene: A Critical Overview
Vandenberghe, William G.
Van de Put, Maarten L.
Fischetti, Massimo V.
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Recent ab initio theoretical calculations of the electrical performance of several two-dimensional materials predict a low-field carrier mobility that spans several orders of magnitude (from 26000 to 35 cm²V⁻¹s⁻¹, for example, for the hole mobility in monolayer phosphorene) depending on the physical approximations used. Given this state of uncertainty, we review critically the physical models employed, considering phosphorene, a group-V material, as a specific example. We argue that the use of the most accurate models results in a calculated performance that is at the disappointing lower end of the predicted range. We also employ first-principles methods to study high-field transport characteristics in monolayer and bilayer phosphorene. For thin multilayer phosphorene we confirm the most disappointing results, with a strongly anisotropic carrier mobility that does not exceed ∼30 cm²V⁻¹s⁻¹ at 300 K for electrons along the armchair direction. We also discuss the dependence of low-field carrier mobility on the thickness of multilayer phosphorene. ©2018 American Physical Society.