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

Abstract

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.

Authors:
;  [1];  [1];  [2]
  1. Department of Electrical and Computer Engineering, North Carolina State University, Raleigh, North Carolina 27695 (United States)
  2. (United States)
Publication Date:
OSTI Identifier:
22594328
Resource Type:
Journal Article
Resource Relation:
Journal Name: Applied Physics Letters; Journal Volume: 109; Journal Issue: 5; Other Information: (c) 2016 Author(s); Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
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

Citation Formats

Jin, Zhenghe, Mullen, Jeffrey T., Kim, Ki Wook, E-mail: kwk@ncsu.edu, and Department of Physics, North Carolina State University, Raleigh, North Carolina 27695. Highly anisotropic electronic transport properties of monolayer and bilayer phosphorene from first principles. United States: N. p., 2016. Web. doi:10.1063/1.4960526.
Jin, Zhenghe, Mullen, Jeffrey T., Kim, Ki Wook, E-mail: kwk@ncsu.edu, & Department of Physics, North Carolina State University, Raleigh, North Carolina 27695. Highly anisotropic electronic transport properties of monolayer and bilayer phosphorene from first principles. United States. doi:10.1063/1.4960526.
Jin, Zhenghe, Mullen, Jeffrey T., Kim, Ki Wook, E-mail: kwk@ncsu.edu, and Department of Physics, North Carolina State University, Raleigh, North Carolina 27695. Mon . "Highly anisotropic electronic transport properties of monolayer and bilayer phosphorene from first principles". United States. doi:10.1063/1.4960526.
@article{osti_22594328,
title = {Highly anisotropic electronic transport properties of monolayer and bilayer phosphorene from first principles},
author = {Jin, Zhenghe and Mullen, Jeffrey T. and Kim, Ki Wook, E-mail: kwk@ncsu.edu and Department of Physics, North Carolina State University, Raleigh, North Carolina 27695},
abstractNote = {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.},
doi = {10.1063/1.4960526},
journal = {Applied Physics Letters},
number = 5,
volume = 109,
place = {United States},
year = {Mon Aug 01 00:00:00 EDT 2016},
month = {Mon Aug 01 00:00:00 EDT 2016}
}