Tuning the electronic and magnetic properties of boron nitride nanotubes |
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| Authors: | Michael Miller Frank J. Owens |
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| Affiliation: | 1. Armament Research Development and Engineering Center, Picatinny, 07806-5000 NJ, United States;2. Department of Physics, Hunter College, Graduate Center City University of New York, 695 Park Ave., 10065 NY, United States;1. Laboratory for Developing New Materials and Their Characterizations, University of Setif, Algeria;2. Department of Physics, Faculty of Sciences, University of Biskra, Algeria |
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| Abstract: | Density Functional Theory is used to investigate the effect of altering the B/N ratio and carbon doping on the electronic and magnetic structure of zigzag, (7, 0) and armchair (5, 5) boron nitride nanotubes. The calculations indicate that increasing the boron content relative to the nitrogen content significantly reduces the band gap to a value typical of a semiconductor. Calculations of carbon doped semiconducting BN tubes, which have more boron atoms than nitrogen atoms have a net spin and a difference in the density of states at the valence band between the spin up and spin down state. |
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