Half-metallicity in hybrid BCN nanoribbons
10.1063/1.2971187
Crossref journal-article
AIP Publishing
The Journal of Chemical Physics (317)
Abstract

The established chemical synthetic strategy toward graphene nanoribbons has greatly prompted and justified the research of theoretical designs of novel materials based on graphene. In this paper, we report the novel half-metallicity in C and BN hybrid zigzag nanoribbons even though stand-alone C or BN nanoribbon possesses a finite band gap. By performing first-principles electronic-structure calculations, we find this unexpected half-metallicity in the hybrid nanostructures stems from a competition between the charge and spin polarizations, as well as from the π orbital hybridization between C and BN. Molecular dynamics simulations indicate that the hybrid nanoribbons are stable. Our results point out a possibility of making spintronic devices solely based on nanoribbons and a new way of fabricating metal-free half metals.

Bibliography

Kan, E.-J., Wu, X., Li, Z., Zeng, X. C., Yang, J., & Hou, J. G. (2008). Half-metallicity in hybrid BCN nanoribbons. The Journal of Chemical Physics, 129(8).

Authors 6
  1. Er-Jun Kan (first)
  2. Xiaojun Wu (additional)
  3. Zhenyu Li (additional)
  4. X. C. Zeng (additional)
  5. Jinlong Yang (additional)
  6. J. G. Hou (additional)
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Dates
Type When
Created 17 years ago (Sept. 2, 2008, 10:43 a.m.)
Deposited 2 years, 1 month ago (Aug. 3, 2023, 6:07 p.m.)
Indexed 1 month ago (July 30, 2025, 6:51 a.m.)
Issued 17 years ago (Aug. 28, 2008)
Published 17 years ago (Aug. 28, 2008)
Published Online 17 years ago (Aug. 29, 2008)
Published Print 17 years ago (Aug. 28, 2008)
Funders 0

None

@article{Kan_2008, title={Half-metallicity in hybrid BCN nanoribbons}, volume={129}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.2971187}, DOI={10.1063/1.2971187}, number={8}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Kan, Er-Jun and Wu, Xiaojun and Li, Zhenyu and Zeng, X. C. and Yang, Jinlong and Hou, J. G.}, year={2008}, month=aug }