Half-metallicity in Armchair Boron Nitride Nanoribbons: A First-Principles Study
Abstract
Using density functional theory, we predict half-metallicity in edge hydrogenated armchair boron nitride nanoribbons (ABNNRs). The predicted spin polarization is analyzed in detail by calculating electronic and magnetic properties of these hydrogenated ABNNRs by means of first-principles calculations within the local spin-density approximation (LSDA). ABNNRs with only edge B atoms passivated by H atoms are found to be half-metallic (regardless of their width) with a half-metal gap of 0.26 eV. Upto 100% spin polarized charge transport is predicted across the Fermi level owing to the giant spin splitting. Transmission spectrum analysis also confirms the separation of spin up and spindown electronic channels. It is revealed that H-passivation of only edge N atoms transforms non-magnetic bare ribbons into energetically stable magnetic semiconductors whereas hydrogenation of both the edges does not affect the electronic and magnetic state of bare ribbons significantly. The results are promising towards the realization of inorganic spintronic devices.
Keywords
Cite
@article{arxiv.1601.02424,
title = {Half-metallicity in Armchair Boron Nitride Nanoribbons: A First-Principles Study},
author = {Hari Mohan Rai and Shailendra K. Saxena and Vikash Mishra and Ravikiran Late and Rajesh Kumar and Pankaj R. Sagdeo and Neeraj K. Jaiswal and Pankaj Srivastava},
journal= {arXiv preprint arXiv:1601.02424},
year = {2016}
}
Comments
arXiv admin note: substantial text overlap with arXiv:1501.01473