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Based on the full-potential linearized augmented plane-wave method (FP-LAPW), we investigated the electronic structures and the optical properties, including dielectric function, absorption spectra, refraction and extinction of Sn1-xAlxO2 (x=0, 0.0625, 0.125, 0.1875, 0.25) via substituting for Sn with Al in SnO2 supercell. Calculated results show that the introduced Al could induce the band gap widening, and this can be attributed to the increased folded states, which lead to the contraction of the valence band and less Sn 5s states at the bottom of the conduction band. With the increasing of Al concentration, the band gap becomes wider, and the intensity of the first main peaks decreases. All of the optical spectra contain the imaginary part of dielectric function, the absorption spectrum, the refraction, and the extinction show blue shift corresponding to the increasing of the band gaps. Finally, it is expected that our results may inspire the future experimental research.
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Keywords:
- band structure /
- density of states /
- optical properties /
- dielectric function
[1] Chopra K L, Major S, Pandya D K 1983 Thin Solid Films 102 1
[2] Dawar A L, Joshi J C 1984 J. Mater. Sci. 19 1
[3] 3815
[4] Kaplan L, Ben Shalom A, Boxman R L, Goldsmith S, Rosenberg U, Nathan M 1994 Thin Solid Films 253 1
[5] Wang H X, Yan Y, Mohammed Y S H, Du X B, Li K, Jin H M 2009 J. Magn. Magn. Mater. 321 337
[6] Du J, Ji Z G 2007 Acta Phys. Sin. 56 2388 (in Chinese) [杜 娟、季振国 2007 56 2388]
[7] Errico L A 2007 Physica B 389 140
[8] Xu J, Huang S P, Wang Z S 2009 Solid State Commun. 149 527
[9] Jin R C, Weng X J, Wang L D, Zhang W J 2008 Journal of Functional Materials and Devices 14 59 (in Chinese)[金仁成、翁雪军、王立鼎、张五金 2008 功能材料与器件学报 14 59]
[10] Xue Y B 2008 Journal of Dalian Jiaotong University 29 96 (in Chinese)[薛严冰 2008大连交通大学学报 29 96]
[11] Calderon-Munoz W R, Sen M, Jena D 2007 J. Appl. Phys. 102 23703
[12] Deng Z H, Yan J F, Zhang F C, Wang X W, Xu J P, Zhang Z Y 2007 Acta Photonica Sin. 36 110 (in Chinese) [邓周虎、闫军峰、张富春、王雪文、徐建平、张志勇2007 光子学报36 110]
[13] Xu J, Huang S P, Wang Z S, Lu D X, Yuan T S 2007 Acta Phys. Sin. 56 7195 (in Chinese) [徐 剑、黄水平、王占山、鲁大学、苑同锁 2007 56 7195]
[14] Zhang C W, Kao H, Dong J M 2009 Phys. Lett.A 373 2592
[15] Liu W, Cao L L 2001 Sci. Chin. Ser B 44 63
[16] Zuo C Y, Wen J, Bai Y L 2010 Chin. Phys. B 19 047101
[17] Zhang F Y, You J Q, Zeng Z, Zhong G H 2007 Chin. Phys. 16
[18] Zhang F C, Zhang Z Y, Zhang W H, Yan J F, Yong J N 2009 Chin. Phys. B 18 2508
[19] Shen J Q, Shi S Q, Ouyang C Y, Lei M S, Tang W H 2009 Chin. Phys. B 18 2551
[20] Yu F, Wang P J, Zhang C W 2009 Journal of University of Jinan(Sci. and Tech. ) 23 414 (in Chinese) [于 峰、王培吉、张昌文2009济南大学学报(自然科学版) 23 414]
[21] RomanL S, Valaski R, Canestraro C D, Magalhaes E C S, Persson C, Ahuja R, da Silva E F Jr., Pepe I, da Silva A F 2006 Appl. Surf. Sci. 252 5361
[22] Nabi Z, Kellou A, Mecabih S,Khalfi A, Benosman N 2003 Mater. Sci. Eng. B 98 104
[23] Qin G Q, Li D C, Feng Z J, Liu S M 2009 Thin Solid Films 517 3345
[24] Duan M Y, Xu M, Zhou H P, Chen Q Y, Hu Z G, Dong C J 2008 Acta Phys. Sin. 57 6520 (in Chinese) [段满益、徐 明、周海平、 陈青云、 胡志刚、 董成军 2008 57 6520]
[25] Peng L P, Meng G J, Xu L 2007 Journal of Higher Correspondence Education (Natural Sciences) 21 39 (in Chinese) [彭丽萍、孟桂菊、徐 凌 2007 高等函授学报(自然科学版) 21 39]
[26] Chen D G, Cheng W D, Wu D S, Zhang H, Gong Y J, Kan Z G 2005 Solid State Sci. 7 179
[27] Zhang X D, Guo M L, Liu C L, Zhang L A, Zhang W Y, Ding Y Q, Wu Q, Feng X 2008 Eur. Phys. J. B 62 417
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[1] Chopra K L, Major S, Pandya D K 1983 Thin Solid Films 102 1
[2] Dawar A L, Joshi J C 1984 J. Mater. Sci. 19 1
[3] 3815
[4] Kaplan L, Ben Shalom A, Boxman R L, Goldsmith S, Rosenberg U, Nathan M 1994 Thin Solid Films 253 1
[5] Wang H X, Yan Y, Mohammed Y S H, Du X B, Li K, Jin H M 2009 J. Magn. Magn. Mater. 321 337
[6] Du J, Ji Z G 2007 Acta Phys. Sin. 56 2388 (in Chinese) [杜 娟、季振国 2007 56 2388]
[7] Errico L A 2007 Physica B 389 140
[8] Xu J, Huang S P, Wang Z S 2009 Solid State Commun. 149 527
[9] Jin R C, Weng X J, Wang L D, Zhang W J 2008 Journal of Functional Materials and Devices 14 59 (in Chinese)[金仁成、翁雪军、王立鼎、张五金 2008 功能材料与器件学报 14 59]
[10] Xue Y B 2008 Journal of Dalian Jiaotong University 29 96 (in Chinese)[薛严冰 2008大连交通大学学报 29 96]
[11] Calderon-Munoz W R, Sen M, Jena D 2007 J. Appl. Phys. 102 23703
[12] Deng Z H, Yan J F, Zhang F C, Wang X W, Xu J P, Zhang Z Y 2007 Acta Photonica Sin. 36 110 (in Chinese) [邓周虎、闫军峰、张富春、王雪文、徐建平、张志勇2007 光子学报36 110]
[13] Xu J, Huang S P, Wang Z S, Lu D X, Yuan T S 2007 Acta Phys. Sin. 56 7195 (in Chinese) [徐 剑、黄水平、王占山、鲁大学、苑同锁 2007 56 7195]
[14] Zhang C W, Kao H, Dong J M 2009 Phys. Lett.A 373 2592
[15] Liu W, Cao L L 2001 Sci. Chin. Ser B 44 63
[16] Zuo C Y, Wen J, Bai Y L 2010 Chin. Phys. B 19 047101
[17] Zhang F Y, You J Q, Zeng Z, Zhong G H 2007 Chin. Phys. 16
[18] Zhang F C, Zhang Z Y, Zhang W H, Yan J F, Yong J N 2009 Chin. Phys. B 18 2508
[19] Shen J Q, Shi S Q, Ouyang C Y, Lei M S, Tang W H 2009 Chin. Phys. B 18 2551
[20] Yu F, Wang P J, Zhang C W 2009 Journal of University of Jinan(Sci. and Tech. ) 23 414 (in Chinese) [于 峰、王培吉、张昌文2009济南大学学报(自然科学版) 23 414]
[21] RomanL S, Valaski R, Canestraro C D, Magalhaes E C S, Persson C, Ahuja R, da Silva E F Jr., Pepe I, da Silva A F 2006 Appl. Surf. Sci. 252 5361
[22] Nabi Z, Kellou A, Mecabih S,Khalfi A, Benosman N 2003 Mater. Sci. Eng. B 98 104
[23] Qin G Q, Li D C, Feng Z J, Liu S M 2009 Thin Solid Films 517 3345
[24] Duan M Y, Xu M, Zhou H P, Chen Q Y, Hu Z G, Dong C J 2008 Acta Phys. Sin. 57 6520 (in Chinese) [段满益、徐 明、周海平、 陈青云、 胡志刚、 董成军 2008 57 6520]
[25] Peng L P, Meng G J, Xu L 2007 Journal of Higher Correspondence Education (Natural Sciences) 21 39 (in Chinese) [彭丽萍、孟桂菊、徐 凌 2007 高等函授学报(自然科学版) 21 39]
[26] Chen D G, Cheng W D, Wu D S, Zhang H, Gong Y J, Kan Z G 2005 Solid State Sci. 7 179
[27] Zhang X D, Guo M L, Liu C L, Zhang L A, Zhang W Y, Ding Y Q, Wu Q, Feng X 2008 Eur. Phys. J. B 62 417
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