Jump to main content
Jump to site search


Metal-free spin and spin-gapless semiconducting heterobilayers: Monolayer boron carbonitrides on hexagonal boron nitride

Abstract

The interfaces between monolayer boron carbonitrides and hexagonal boron nitride (h-BN) play an important role in their practical applications. Herein, we respectively investigate the structural and electronic properties of two metal-free heterobilayers constructed by vertically stacking two-dimensional (2D) spintronic materials (B4CN3 and B3CN4) on h-BN monolayer from the views of lattice match and lattice mismatch models using density functional calculations. It is found that both B4CN3 and B3CN4 monolayers can be stably adsorbed on the h-BN monolayer due to the van der Waals interactions. Intriguingly, we demonstrate that the bipolar magnetic semiconductor (BMS) behavior of B4CN3 layer and the spin gapless semiconductor (SGS) property of B3CN4 layer can be well preserved in the B4CN3/BN and B3CN4/BN heterobilayers, respectively. The magnetic moments and spintronic properties of the two systems originate mainly from the 2pz electrons of the carbon atoms in B4CN3 and B3CN4 layers. Furthermore, the BMS behavior of B4CN3/BN bilayer is very robust while the electronic property of B3CN4/BN bilayer is sensitive to the interlayer couplings. These theoretical results are helpful both in understanding the interlayer coupling between B4CN3 or B3CN4 and h-BN monolayers and in providing a possibility of fabricating 2D composite B4CN3/BN and B3CN4/BN metal-free spintronic materials theoretically.

Back to tab navigation
Please wait while Download options loads

Supplementary files

Publication details

The article was received on 18 Feb 2017, accepted on 05 May 2017 and first published on 08 May 2017


Article type: Paper
DOI: 10.1039/C7CP01088E
Citation: Phys. Chem. Chem. Phys., 2017, Accepted Manuscript
  •   Request permissions

    Metal-free spin and spin-gapless semiconducting heterobilayers: Monolayer boron carbonitrides on hexagonal boron nitride

    H. Pan, H. Zhang, Y. Sun, Y. Ding, J. Chen, Y. Du and N. Tang, Phys. Chem. Chem. Phys., 2017, Accepted Manuscript , DOI: 10.1039/C7CP01088E

Search articles by author