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arXiv · 1801.08606

Theoretical studies of electronic transport in mono- and bi-layer phosphorene: A critical overview

Gautam Gaddemane·William G. Vandenberghe·Maarten L. Van de Put·Shanmeng Chen·Sabyasachi Tiwari·Edward Chen·Massimo V. Fischetti
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Abstract

Recent $\textit{ab initio}$ theoretical calculations of the electrical performance of several two-dimensional materials predict a low-field carrier mobility that spans several orders of magnitude (from 26,000 to 35 cm$^{2}$ V$^{-1}$ s$^{-1}$, 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 mono- and bi-layer phosphorene. For thin multi-layer phosphorene we confirm the most disappointing results, with a strongly anisotropic carrier mobility that does not exceed $\sim$ 30 cm$^{2}$ V$^{-1}$ s$^{-1}$ at 300 K for electrons along the armchair direction.

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Gautam Gaddemane, William G. Vandenberghe, Maarten L. Van de Put, Shanmeng Chen, Sabyasachi Tiwari, Edward Chen, Massimo V. Fischetti. 2018-01-25. Theoretical studies of electronic transport in mono- and bi-layer phosphorene: A critical overview. https://doi.org/10.1103/physrevb.98.115416

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