Electronic and Optical Properties of Silicon Carbide Nanostructures
學年 101
學期 2
出版（發表）日期 2013-07-01
作品名稱 Electronic and Optical Properties of Silicon Carbide Nanostructures
作品名稱（其他語言）
著者 Hsueh, Hung-Chung; Guo, Guang-Yu; Louie, Steven G.
單位 淡江大學物理學系
出版者 New York : Springer
著錄名稱、卷期、頁數 Silicon-based Nanomaterials, pp.139-159
摘要 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.
關鍵字 GW+BSE; Exciton; SiC nanostructure
語言 en_US
ISBN 9781461481683 9781461481690
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