title: Theoretical predictions on the electronic structure and charge carrier mobility in 2D phosphorus sheets.
abstract: We have investigated the electronic structure and carrier mobility of four types of phosphorous monolayer sheet (α-P, β-P,γ-P and δ-P) using density functional theory combined with Boltzmann transport method and relaxation time approximation. It is shown that α-P, β-P and γ-P are indirect gap semiconductors, while δ-P is a direct one. All four sheets have ultrahigh carrier mobility and show anisotropy in-plane. The highest mobility value is ~3 × 10(5) cm(2)V(-1)s(-1), which is comparable to that of graphene. Because of the huge difference between the hole and electron mobilities, α-P, γ-P and δ-P sheets can be considered as n-type semiconductors, and β-P sheet can be considered as a p-type semiconductor. Our results suggest that phosphorous monolayer sheets can be considered as a new type of two dimensional materials for applications in optoelectronics and nanoelectronic devices.
authors.affiliation: Institute of Super-microstructure and Ultrafast Process in Advanced Materials, School of Physics and Electronics, Central South University, Changsha 410083, China.
authors.forename: Jin
authors.initials: J
authors.lastname: Xiao
authors.affiliation: 1] Institute of Super-microstructure and Ultrafast Process in Advanced Materials, School of Physics and Electronics, Central South University, Changsha 410083, China [2] Department of Physics and Materials Science, City University of Hong Kong, Hong Kong, China.
authors.forename: Mengqiu
authors.initials: M
authors.lastname: Long
authors.affiliation: Institute of Super-microstructure and Ultrafast Process in Advanced Materials, School of Physics and Electronics, Central South University, Changsha 410083, China.
authors.forename: Xiaojiao
authors.initials: X
authors.lastname: Zhang
authors.affiliation: Institute of Super-microstructure and Ultrafast Process in Advanced Materials, School of Physics and Electronics, Central South University, Changsha 410083, China.
authors.forename: Jun
authors.initials: J
authors.lastname: Ouyang
authors.affiliation: Institute of Super-microstructure and Ultrafast Process in Advanced Materials, School of Physics and Electronics, Central South University, Changsha 410083, China.
authors.forename: Hui
authors.initials: H
authors.lastname: Xu
authors.affiliation: 1] Institute of Super-microstructure and Ultrafast Process in Advanced Materials, School of Physics and Electronics, Central South University, Changsha 410083, China [2] Department of Physics and Astronomy, University of Rochester, Rochester, NY 14627, USA.
authors.forename: Yongli
authors.initials: Y
authors.lastname: Gao
mesh_terms: D004581:Electronics; D008962:Models, Theoretical; D010758:Phosphorus
chemical_list: D010758:Phosphorus