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Electronic structure and optical property of 3d transition metal doped (5,5) boron nitride nanotube

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Abstract

The electronic structure and magnetic and optical properties of a 3d transition metal M (M = V, Cr, Mn, Fe) doped (5,5) boron nitride (B19MN20) nanotube are investigated by using the first-principles projector augmented wave potential within density functional theory under the generalized gradient approximation. It is found that B19VN20 and B19MnN20 systems are ideal candidates for spintronic applications, and the B19CrN20 system seems to be a promising diluted magnetic semiconductor. The analyses of optical dielectric functions show that B19CrN20 exhibits a new main peak at about 0.3 eV, and thus may be utilized in fields that are associated with infrared technology, such as infrared detectors, infrared masers, and so on.

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Acknowledgements

The authors would like to acknowledge the National Natural Science Foundation of China (Grant No. 51071098), the State Key Development for Basic Research of China (Grant No. 2010CB631002), and the Innovation Funds of Graduate Programs of SNNU (Grant No. 2012CXB013) for providing financial support for this research.

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Authors and Affiliations

  1. College of Physics and Information Technology, Shaanxi Normal University, Xi’an, 710062, Shaanxi, P.R. China

    Su-Fang Wang, Yan Zhang & Jian-Min Zhang

  2. State Key Laboratory for Mechanical Behavior of Materials, Xian Jiaotong University, Xi’an, 710049, Shaanxi, P.R. China

    Ke-Wei Xu

  3. ICMMO/LEMHE, UMR CNRS 8182, Université Paris-Sud 11, 91405, Orsay Cedex, France

    Vincent Ji

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  1. Su-Fang Wang
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  2. Yan Zhang
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Correspondence to Jian-Min Zhang.

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Wang, SF., Zhang, Y., Zhang, JM. et al. Electronic structure and optical property of 3d transition metal doped (5,5) boron nitride nanotube. Appl. Phys. A 109, 601–606 (2012). https://doi.org/10.1007/s00339-012-7074-4

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  • DOI: https://doi.org/10.1007/s00339-012-7074-4

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