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The present work is devoted to the study of the excitation of two kinds of Si2O isomers. The results show that the is excitation energies, oscillator strengths, transition electric dipole moments and absorption spectra are affected evidently by external electric field. The triangular Si2O(C2v,1A1) has no visible light absorption spectrum under no external electric field, however, it has faint absorption spectrum(407.18—526.93 nm) in the visible region under external electric field. The linear Si-Si-O(C∞v,3Σ-) has absorption spectra in blue light region and in purple light both in the presence and in the absence of external electric field. One of the important results is that the linear Si-Si-O has strong blue light absorption spectrum(478.88—488.59 nm).
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Keywords:
- Si2O /
- external electric field /
- excited states /
- absorption spectrum
[1] Canham L T 1990 Appl. Phys. Lett. 57 1046
[2] Canham L T, Barraclough K G, Robbins D J 1987 Appl. Phys. Lett. 51 1509
[3] Kanemitsu Y, Suzuki K, Kyushin S, Masumoto H 1995 Phys. Rev. B 51 13103
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[8] Tong S, Liu X N, Bao X M 1995 Appl. Phys. Lett. 66 469
[9] Song H Z, Bao X M 1997 Phys. Rev. B 55 6988
[10] Augustine B H, Hu Y Z, Irene E A, McNeil L E 1995 Appl. Phys. Lett. 67 3694
[11] Liao L S, Bao X M, Zheng X Q, Li N S, Min N B 1996 Appl. Phys. Lett. 68 850
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[14] Lu W C, Wang C Z, Nguyen V, Schmidt M W, Gordon M S, Ho K M 2003 J. Phys. Chem. A 107 693 6
[15] Brown S T, Petraco N D K, Yamaguchi Y, Schaefer H F 2002 Polyhedron 21 599
[16] Boldyrev A I, Simons J 1993 J. Phys. Chem. 97 5875
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[19] Ruan W, Luo W L, Zhang L, Zhu Z H 2008 Acta Phys. Sin. 57 6207 (in Chinese) [阮 文、 罗文浪、 张 莉、 朱正和 2008 57 6207]
[20] Xu G L, Lü W J, Liu Y F, Zhu Z L, Zhang X Z, Sun J F 2008 Chin. Phys. B 17 4481
[21] Zhang Y W, Lu Q Z, Liu Y S 1987 Molecular Spectrum (Hefei: University of Science and Technology of China Press) p11 (in Chinese) [张允武、 陆庆正、 刘玉申 1988 分子光谱学 (合肥: 中国科学技术大学出版社) 第11页]
[22] Iraqi M, Goldberg N, Schwarz H 1993 J. Phys. Chem. 97 11371
[23] Grimme S 1996 Chem. Phys. Lett. 259 128
[24] Xu G L, Lü W J, Liu Y F, Zhu Z L, Zhang X Z, Sun J F 2009 Acta Phys. Sin. 58 3058 (in Chinese) [徐国亮、 吕文静、 刘玉芳、 朱遵略、 张现周、 孙金锋 2009 58 3058]
[25] Frisch M J, Trucks G W, Schlegel H B 2003 Gaussian03, Revision B03 (Pittsburgh PA: Gaussian Inc)
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[1] Canham L T 1990 Appl. Phys. Lett. 57 1046
[2] Canham L T, Barraclough K G, Robbins D J 1987 Appl. Phys. Lett. 51 1509
[3] Kanemitsu Y, Suzuki K, Kyushin S, Masumoto H 1995 Phys. Rev. B 51 13103
[4] Bao X M, Song H Z 1997 J. Materials Research 11 601 (in Chinese) [鲍希茂、 宋海智 1997 材料研究学报 11 601]
[5] Ma Z Y, Guo S H, Chen D Y, Wei D Y, Yao Y, Zhou J, Huang R, Li W, Xu J, Xu L, Huang X F, Chen K J, Feng D 2008 Chin. Phys. B 17 303
[6] Zheng L R, Huang B B, Wei J Y 2009 Acta Phys. Sin. 58 8612 (in Chinese)[郑立仁、 黄柏标、 尉吉勇 2009 58 8612]
[7] Koch K, Petrova K V, Muschik T, Nikolov A, Gavrilenko V 1992 MRS Proc. 283 197
[8] Tong S, Liu X N, Bao X M 1995 Appl. Phys. Lett. 66 469
[9] Song H Z, Bao X M 1997 Phys. Rev. B 55 6988
[10] Augustine B H, Hu Y Z, Irene E A, McNeil L E 1995 Appl. Phys. Lett. 67 3694
[11] Liao L S, Bao X M, Zheng X Q, Li N S, Min N B 1996 Appl. Phys. Lett. 68 850
[12] Zheng X Q, Guo X L, Liao L S, Liu Z G 1998 J. Semiconductors 19 21 (in Chinese) [郑祥钦、 郭新立、 廖良生、 刘治国 1998 半导体学报 19 21]
[13] Boldyrev A I, Simons J, Zakrzewski V G, Niessen W. V 1994 J. Phys. Chem. 98 1427
[14] Lu W C, Wang C Z, Nguyen V, Schmidt M W, Gordon M S, Ho K M 2003 J. Phys. Chem. A 107 693 6
[15] Brown S T, Petraco N D K, Yamaguchi Y, Schaefer H F 2002 Polyhedron 21 599
[16] Boldyrev A I, Simons J 1993 J. Phys. Chem. 97 5875
[17] Zhu Z H, Fu Y B, Gao T, Chen Y L, Chen X J 2003 J. Atom. Mole. Phys. 20 169 (in Chinese) [朱正和、 付依备、 高 涛、 陈银亮、 陈晓军 2003 原子与分子 20 169]
[18] Chen X J, Ma M Z, Luo S Z, Zhu Z H 2004 J. Atom. Mole. Phys. 21 19 (in Chinese) [陈晓军、 马美仲、 罗顺忠、 朱正和 2004 原子与分子 21 19]
[19] Ruan W, Luo W L, Zhang L, Zhu Z H 2008 Acta Phys. Sin. 57 6207 (in Chinese) [阮 文、 罗文浪、 张 莉、 朱正和 2008 57 6207]
[20] Xu G L, Lü W J, Liu Y F, Zhu Z L, Zhang X Z, Sun J F 2008 Chin. Phys. B 17 4481
[21] Zhang Y W, Lu Q Z, Liu Y S 1987 Molecular Spectrum (Hefei: University of Science and Technology of China Press) p11 (in Chinese) [张允武、 陆庆正、 刘玉申 1988 分子光谱学 (合肥: 中国科学技术大学出版社) 第11页]
[22] Iraqi M, Goldberg N, Schwarz H 1993 J. Phys. Chem. 97 11371
[23] Grimme S 1996 Chem. Phys. Lett. 259 128
[24] Xu G L, Lü W J, Liu Y F, Zhu Z L, Zhang X Z, Sun J F 2009 Acta Phys. Sin. 58 3058 (in Chinese) [徐国亮、 吕文静、 刘玉芳、 朱遵略、 张现周、 孙金锋 2009 58 3058]
[25] Frisch M J, Trucks G W, Schlegel H B 2003 Gaussian03, Revision B03 (Pittsburgh PA: Gaussian Inc)
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