Jump to main content
Jump to site search


Tailoring electronic properties of multilayer phosphorene by siliconization

Abstract

Controlling a thickness dependence of electronic properties for two-dimensional (2d) materials is among primary goals for their large-scale applications. Herein, employing a first-principles computational approach, we predict that Si interaction with multilayer phosphorene (2d-P) can result in the formation of highly stable 2d-SiP and 2d-SiP2 compounds with a weak interlayer interaction. Our analysis demonstrates that these systems are semiconductors with band gap energies that can be governed by varying the thicknesses and stacking arrangements. Specifically, siliconization of phosphorene allows to design 2d-SiPx materials with significantly weaker thickness dependence of electronic properties than that in 2d-P and to develop ways for their tailoring. We also reveal the spatial dependence of electronic properties for 2d-SiPx highlighting the difference in effective band gaps for different layers. Particularly, our results show that central layers in the multilayer 2d systems determine their overall electronic properties, while the role of the outermost layers is noticeably smaller.

Back to tab navigation

Supplementary files

Publication details

The article was received on 11 Sep 2017, accepted on 06 Dec 2017 and first published on 06 Dec 2017


Article type: Paper
DOI: 10.1039/C7CP06196J
Citation: Phys. Chem. Chem. Phys., 2017, Accepted Manuscript
  •   Request permissions

    Tailoring electronic properties of multilayer phosphorene by siliconization

    O. I. Malyi, K. Sopiha, I. Radchenko, P. Wu and C. Persson, Phys. Chem. Chem. Phys., 2017, Accepted Manuscript , DOI: 10.1039/C7CP06196J

Search articles by author

Spotlight

Advertisements