Disorder Effect On The Anisotropic Resistivity Of Phosphorene Determined By A Tight-Binding Model

Abstract

In this work we develop a compact multiorbital tight-binding model for phosphorene that accurately describes states near the main band gap. The model parameters are adjusted using as reference the band structure obtained by a density functional theory calculation with the hybrid HSE06 functional. We use the optimized tight-binding model to study the effects of disorder on the anisotropic transport properties of phosphorene. In particular, we evaluate how the longitudinal resistivity depends on the lattice orientation for two typical disorder models: dilute scatterers with high potential fluctuation amplitudes, mimicking screened charges in the substrate, and dense scatterers with lower amplitudes, simulating weakly bounded adsorbates. We show that the intrinsic anisotropy associated to the band structure of this material, although sensitive to the type and intensity of the disorder, is robust.

Publication Date

10-17-2016

Publication Title

Physical Review B

Volume

94

Issue

16

Document Type

Article

Personal Identifier

scopus

DOI Link

https://doi.org/10.1103/PhysRevB.94.165419

Socpus ID

84992154235 (Scopus)

Source API URL

https://api.elsevier.com/content/abstract/scopus_id/84992154235

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