Spin Properties of Chiral BN Nanotubes (7, n2)

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Abstract

Using the nonempirical relativistic augmented cylindrical wave method, the dependences of the electronic structure of single-layer (n1, n2) BN nanotubes with n1 = 7 and 6 ≥ n2 ≥ 1 on chirality and spin are calculated. All nanotubes are wide-bandgap semiconductors with optical gaps equal to 3.6–4.6 eV and spin-orbit splittings of the top of the valence band and the minimum of the conduction band of 0.15–0.004 meV. The energies of spin splittings in right- and left-handed nanotubes coincide, and the spin directions are opposite. The (7, 1) nanotube is most suitable for selective spin transport of electrons, which can find application in spintronics elements.

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P. N. Dyachkov

Kurnakov Institute of General and Inorganic Chemistry of the Russian Academy of Sciences

Author for correspondence.
Email: p_dyachkov@rambler.ru
Russian Federation, 31, Leninsky Ave., Moscow, 119991

E. P. Dyachkov

Kurnakov Institute of General and Inorganic Chemistry of the Russian Academy of Sciences

Email: p_dyachkov@rambler.ru
Russian Federation, 31, Leninsky Ave., Moscow, 119991

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2. Fig. 1. Electronic structure of a nanotube (7, 1): a - general view without CO splitting, b - electronic levels of the valence band and conduction band edges in enlarged scale, c, d - CO splitting of boundary levels in right-handed (rh) (c) and left-handed (lh) (d) nanotubes; π / hz = 5.73 at. units-1.

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3. Fig. 2. General view of the zone structure of chiral BN nanotube (7, 2).

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4. Fig. 3. Zone structure of the BN nanotube (7, 3); π / hz = 6.74 at. units-1.

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5. Fig. 4. General view of the dispersion curves of BN nanotubes (7, 4), (7, 5) and (7, 6) for positive values of the wave vector; π / hz = 7.32, 7.92 and 7.55 at. units-1.

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