Abstract
Using first-principles calculations, we investigate the electronic structures of the recently synthesized hydrogenated graphene, called graphane, with substitutional B, N, P, and Al atoms. We find that both the n-type and p-type substitutions can cause the semiconductor-to-metal transitions in graphane sheets. The substitutional B and Al atoms induce magnetic moments of nearby carbon atoms. Moreover, the B-substituted graphane sheets have the concentration-dependent magnetic properties, while the Al-substituted ones exhibit robust half-metallic behaviors. Our studies demonstrate that the substituted graphane sheets have potential applications in nanoelectronics and spintronics.
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Dates
Type | When |
---|---|
Created | 14 years, 4 months ago (April 18, 2011, 6:32 p.m.) |
Deposited | 2 years, 1 month ago (July 3, 2023, 12:52 p.m.) |
Indexed | 4 weeks ago (July 30, 2025, 6:55 a.m.) |
Issued | 14 years, 4 months ago (April 18, 2011) |
Published | 14 years, 4 months ago (April 18, 2011) |
Published Online | 14 years, 4 months ago (April 18, 2011) |
Published Print | 14 years, 4 months ago (April 18, 2011) |
@article{Wang_2011, title={Electronic structures of graphane sheets with foreign atom substitutions}, volume={98}, ISSN={1077-3118}, url={http://dx.doi.org/10.1063/1.3574906}, DOI={10.1063/1.3574906}, number={16}, journal={Applied Physics Letters}, publisher={AIP Publishing}, author={Wang, Yanli and Ding, Yi and Shi, Siqi and Tang, Weihua}, year={2011}, month=apr }