Highly anisotropic electronic transport properties of monolayer and bilayer phosphorene from first principles

Journal Article · Mon Aug 01 00:00:00 EDT 2016 · Applied Physics Letters

DOI:https://doi.org/10.1063/1.4960526· OSTI ID:22594328

Jin, Zhenghe; Mullen, Jeffrey T. ^[1]

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1. Department of Electrical and Computer Engineering, North Carolina State University, Raleigh, North Carolina 27695 (United States)

The intrinsic carrier transport dynamics in phosphorene is theoretically examined. Utilizing a density functional theory treatment, the low-field mobility and the saturation velocity are characterized for both electrons and holes in the monolayer and bilayer structures. The analysis clearly elucidates the crystal orientation dependence manifested through the anisotropic band structure and the carrier-phonon scattering rates. In the monolayer, the hole mobility in the armchair direction is estimated to be approximately five times larger than in the zigzag direction at room temperature (460 cm{sup 2}/V s vs. 90 cm{sup 2}/V s). The bilayer transport, on the other hand, exhibits a more modest anisotropy with substantially higher mobilities (1610 cm{sup 2}/V s and 760 cm{sup 2}/V s, respectively). The calculations on the conduction-band electrons indicate a comparable dependence while the characteristic values are generally smaller by about a factor of two. The variation in the saturation velocity is found to be less pronounced. With the anticipated superior performance and the diminished anisotropy, few-layer phosphorene offers a promising opportunity particularly in p-type applications.

• OSTI ID: 22594328
• Journal Information: Applied Physics Letters, Vol. 109, Issue 5; Other Information: (c) 2016 Author(s); Country of input: International Atomic Energy Agency (IAEA); ISSN 0003-6951
• Country of Publication: United States
• Language: English

Related Subjects

71 CLASSICAL AND QUANTUM MECHANICS
GENERAL PHYSICS
75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
ANISOTROPY
CARRIERS
COMPARATIVE EVALUATIONS
CRYSTALS
DENSITY FUNCTIONAL METHOD
ELECTRONS
HOLE MOBILITY
HOLES
LAYERS
PHONONS
SATURATION
SCATTERING
TEMPERATURE RANGE 0273-0400 K
TRANSPORT THEORY
VELOCITY