Electronic structure and simulated STM images of non-honeycomb phosphorene allotropes

Kaur, S.; Kumar, A.; Srivastava, S.; Tankeshwar, K.

Electronic structure and simulated STM images of non-honeycomb phosphorene allotropes

Date

2018

Authors

Publisher

American Institute of Physics Inc.

Abstract

We have investigated the electronic structure and simulated STM images of various non-honeycomb allotropes of phosphorene namely ? - P, ? - P, ? - P and ? - P, within combined density functional theory and Tersoff-Hamman approach. All these allotropes are found to be energetically stable and electronically semiconductingwith bandgap ranging between 0.5-1.2 eV. Simulated STM images show distinctly different features in terms of the topography. Different maximas in the distance-height profile indicates the difference in buckling of atoms in these allotropes. Distinctly different images obtained in this study may be useful to differentiate various allotropes that can serve as fingerprints to identify various allotropes during the synthesis of phosphorene. ? 2018 Author(s).

Citation

Kaur, S., Kumar, A., Srivastava, S., & Tankeshwar, K. (2018). Electronic structure and simulated STM images of non-honeycomb phosphorene allotropes. Paper presented at the AIP Conference Proceedings.