One distinct class of band structures, spin gapless semiconductors in which both electrons and holes could be fully spin polarized, was proposed recently. Exotic spin-related phenomena and potential applications were predicted for those semiconductors. In the present work, the electronic structures of BN nanoribbons were studied from ab initio calculations. Two kinds of spin gapless semiconductors were predicted in the nanoribbons with certain B or N vacancies. The unique bands were found to be independent of the width of the nanoribbons. The appearance of the spin-polarized bands in BN system without traditional magnetic ions was ascribed to dangling-bond states formed near the vacancies. The magnetism induced by B vacancies was found to be stronger than that by N. The magnetism could be understood well through Stoner rule.

Electronic Structures and Spin Gapless Semiconductors in BN Nanoribbons with Vacancies. Y.Pan, Z.Yang: Physical Review B, 2010, 82[19], 195308