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Electronic structure and optical properties of a (5, 5) single-walled silicon carbide nanotube are studied with first principles calculation based on density functional theory. Depression and salient are formed near CSi defect and SiC defect in the surface of the nanotube. Defect energy levels are formed near the bottom of conduction band, which results in an n-type conductivity for nanotubes with antisite defects. In dielectric functions parallel and perpendicular to the axis of the nanotube, novel resonance peak is formed from transitions between top of the conduction band and the defect energy level.
[1] Tooski S B 2010 J. Appl. Phys. 107 034315
[2] Li X L, Jia Y, Cao A Y 2010 ACS Nano 4 506
[3] Menon M, Richter E, Mavrandonakis A, Andriotis A N 2004 Phys. Rev. B 69 115322
[4] Li C P, Fitzgerald J D, Zou J, Chen Y 2007 New J. Phys. 9 137
[5] Taguchi T, Igawa N, Yamamoto H, Jitsukawa S 2005 J. Am. Ceram. Soc. 88 459
[6] Torpo L, Marlo M, Staab T E M, Nieminen R M 2001 J. Phys. Condens. Matter 13 6203
[7] Litton C W, Johnstone D, Akarca-Biyikli S, Ramaiah K S, Bhat I, Chow T P, Kim J K, Schubert E F 2006 Appl. Phys. Lett. 88 121914
[8] Tetsuyoshi T 2008 J. Appl. Phys. 103 063521
[9] Bernardini F, Mattoni A, Colombo L 2004 Eur. Phys. J. B 38 437
[10] Lin F, Li Z Y, Wang S Y 2009 Acta Phys. Sin. 58 8544 (in Chinese) [林峰, 李缵轶, 王山鹰 2009 58 8544]
[11] Zhang L J, Hu H F, Wang Z Y, Wei Y, Jia J F 2010 Acta Phys. Sin. 59 527 (in Chinese) [张丽娟, 胡慧芳, 王志勇, 魏燕, 贾金凤 2010 59 527]
[12] Krainara N, Limtrakul J, Illas F, Bromley S T 2011 Phys. Rev. B 83 233305
[13] Perdew J, Burke K, Ernzerhof M 1996 Phys. Rev. Lett. 77 3865
[14] Huang S P, Wu D S, Hu J M, Zhang H, Xie Z, Hu H, Cheng W D 2007 Opt. Express 15 10947
[15] Shen X C 1992 The Spectrum and Optical Property of Semiconductor (Beijing: Science Press) p76(in Chinese) [沈学础 1992 半导体光谱和光学性质 (北京: 科学出版社)第76页]
[16] Wu I J, Guo G Y 2007 Phys. Rev. B 76 035343
[17] Baierle R J, Fagan S B, Mota R, Silva A J R, Fazzio A 2001 Phys. Rev. B 64 085413
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[1] Tooski S B 2010 J. Appl. Phys. 107 034315
[2] Li X L, Jia Y, Cao A Y 2010 ACS Nano 4 506
[3] Menon M, Richter E, Mavrandonakis A, Andriotis A N 2004 Phys. Rev. B 69 115322
[4] Li C P, Fitzgerald J D, Zou J, Chen Y 2007 New J. Phys. 9 137
[5] Taguchi T, Igawa N, Yamamoto H, Jitsukawa S 2005 J. Am. Ceram. Soc. 88 459
[6] Torpo L, Marlo M, Staab T E M, Nieminen R M 2001 J. Phys. Condens. Matter 13 6203
[7] Litton C W, Johnstone D, Akarca-Biyikli S, Ramaiah K S, Bhat I, Chow T P, Kim J K, Schubert E F 2006 Appl. Phys. Lett. 88 121914
[8] Tetsuyoshi T 2008 J. Appl. Phys. 103 063521
[9] Bernardini F, Mattoni A, Colombo L 2004 Eur. Phys. J. B 38 437
[10] Lin F, Li Z Y, Wang S Y 2009 Acta Phys. Sin. 58 8544 (in Chinese) [林峰, 李缵轶, 王山鹰 2009 58 8544]
[11] Zhang L J, Hu H F, Wang Z Y, Wei Y, Jia J F 2010 Acta Phys. Sin. 59 527 (in Chinese) [张丽娟, 胡慧芳, 王志勇, 魏燕, 贾金凤 2010 59 527]
[12] Krainara N, Limtrakul J, Illas F, Bromley S T 2011 Phys. Rev. B 83 233305
[13] Perdew J, Burke K, Ernzerhof M 1996 Phys. Rev. Lett. 77 3865
[14] Huang S P, Wu D S, Hu J M, Zhang H, Xie Z, Hu H, Cheng W D 2007 Opt. Express 15 10947
[15] Shen X C 1992 The Spectrum and Optical Property of Semiconductor (Beijing: Science Press) p76(in Chinese) [沈学础 1992 半导体光谱和光学性质 (北京: 科学出版社)第76页]
[16] Wu I J, Guo G Y 2007 Phys. Rev. B 76 035343
[17] Baierle R J, Fagan S B, Mota R, Silva A J R, Fazzio A 2001 Phys. Rev. B 64 085413
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