關鍵字查詢 | 類別:期刊論文 | | 關鍵字:Excitonic effects in the optical properties of a SiC sheet and nanotubes

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序號 學年期 教師動態
1 100/1 物理系 薛宏中 教授 期刊論文 發佈 Excitonic effects in the optical properties of a SiC sheet and nanotubes , [100-1] :Excitonic effects in the optical properties of a SiC sheet and nanotubes期刊論文Excitonic effects in the optical properties of a SiC sheet and nanotubesHsueh, H.C.; Guo, G.Y.; Louie, Steven G.淡江大學物理學系College Park: American Physical SocietyPhysical Review B 84(8), 085404 (10 pages)The quasiparticle band structure and optical properties of single-walled zigzag and armchair SiC nanotubes (SiC-NTs) as well as a single SiC sheet are investigated by ab initio many-body calculations using the GW and the GW plus Bethe-Salpeter equation approaches, respectively. Significant GW quasiparticle corrections, of more than 1.0 eV, to the Kohn-Sham band gaps from the local density approximation (LDA) calculations are found. The GW self-energy corrections transform the SiC sheet from an indirect LDA band gap to a direct band gap material. Furthermore, the quasiparticle band gaps of SiC-NTs with different chiralities behave very differently as a function of tube diameter, and this can be attributed to the di
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