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Electronic and Optical Properties of Silicon Carbide Nanostructures

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Silicon-based Nanomaterials

Part of the book series: Springer Series in Materials Science ((SSMATERIALS,volume 187))

Abstract

The electronic and optical properties of quasi-one-dimensional single-walled zigzag/armchair silicon-carbide nantotubes (SiC-NTs) as well as a two-dimensional SiC monolayer are investigated by ab initio methods. In order to elucidate many-electron effects on SiC nanosystems, we apply the ab initio many-body Green’s function approach to calculate the quasiparticle and optical properties of SiC nanostructures. The significant band gap correction, more than 1 eV, to the Kohn-Sham gap of density functional theory within the local density approximation of semiconducting SiC-NTs and a SiC monolayer is mainly due to the many-electron interaction effect, which is included in the GW approximation for the electron self energy. Furthermore, taking into account electron-hole interaction, the optical spectra of SiC-NTs are calculated by solving the Bethe-Salpeter equation (BSE) for the electron-hole amplitudes. Our GW+BSE calculations reveal the presence of excitons with a large binding energy as well as strong anisotropy in the optical properties in the low-dimensional SiC systems. The characteristics of the strongly bound electron-hole pairs or excitons in SiC nanostructures are also discussed in terms of the corresponding excitonic wavefunctions.

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Acknowledgments

We thank the National Science Council and NCTS of Taiwan ROC for support, and also NCHC and IAMS (Academia Sinica) of Taiwan ROC for CPU time. HCH acknowledges support under Grant No. NSC 101-2112-M-032-001-MY3. SGL acknowledges support by the Director, Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division, US Department of Energy, under Contract No. DE-AC02-05CH11231.

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Authors and Affiliations

  1. Department of Physics, Tamkang University, Tamsui, 25137 , New Taipei, Taiwan

    Hung-Chung Hsueh

  2. Department of Physics, National Taiwan University, 10617 , Taipei, Taiwan

    Guang-Yu Guo

  3. Department of Physics, University of California at Berkeley, Berkeley, CA, 94720, USA

    Steven G. Louie

  4. Materials Sciences, Lawrence Berkeley National Laboratory, Berkeley, CA, 94720, USA

    Steven G. Louie

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  1. Hung-Chung Hsueh
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  2. Guang-Yu Guo
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  3. Steven G. Louie
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Correspondence to Hung-Chung Hsueh .

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Editors and Affiliations

  1. cState Key Laboratory of Electronic, University of Electronic Science and Technology of China, Chengdu, People's Republic of China

    Handong Li

  2. State Key Laboratory of Electronic Thin, University of Electronic Science and Technology of China, Chengdu, People's Republic of China

    Jiang Wu

  3. State Key Laboratory of Electronic, University of Electronic Science and Technology, Chengdu, People's Republic of China

    Zhiming M. Wang

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Hsueh, HC., Guo, GY., Louie, S.G. (2013). Electronic and Optical Properties of Silicon Carbide Nanostructures. In: Li, H., Wu, J., Wang, Z. (eds) Silicon-based Nanomaterials. Springer Series in Materials Science, vol 187. Springer, New York, NY. https://doi.org/10.1007/978-1-4614-8169-0_7

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