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In this paper we use first-principles full potential linearized augmented plane wave method (FP-LAPW) to inwestigate density of states (DOS), band structure and optical properties of the materials that doped with In and N. The results show that the doping structure has fine locat levels in both the spin-down direction and the spin-up direction and both state densities are symmetrical. The local levels are produced in the spin-down direction in the band gap, and co-doped compounds show being semi-metallic. The energy band structure indicates that the two co-doped compounds are still direct band gap semiconductors. The top of valence band shifts toward the low energy with the increase of the concentration of N, so obviously the band gap is widened. The main dielectric peak of imaginary part of dielectric function exists only at 8.58 eV, the position of main peak shifts to ward the right and the peak intensity increases significantly. The static dielectric constants of two different concentrations of N-doped structure also significantly increase, and a strong interaction takes place between the states of N 2p and In 5s. The number of peaks of co-doped absorption spectra reduces and the range of absorption wavelength is broadened.
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Keywords:
- electronic structure /
- density of states /
- band structure /
- optical property
[1] Dolbec R, El Khakani M A, Serventi A M, Trudeau M , Saint-Jacques R G 2002 Thin Solid Films 419 230
[2] Aukkaravittayapun S, Wongtida N, Kasecwatin T, Charojrochkul S, Unnanon K, Chindaudom K 2006 Thin Solid Films 496 117
[3] Yamamoto T, Yoshida H K 1999 Jpn. J. Appl. Phys. Part 2 38 166
[4] Yamamoto T, Katayama Y H 2001 Physica B 302 155
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[6] Bian J M, Li X M, Gao X D, Yu W D, Chen L D 2004 Appl. Phys. Lett. 84 541
[7] Chen L L, Ye Z Z, Lu J G, Chu P K 2006 Appl. Phys. Lett. 89 252113
[8] Ye H B, Kong J F, Shen W Z, Zhao J L, Li X M 2007 Appl. Phys. Lett. 90 102115
[9] Yuan N Y, Li J H, Fan L N, Wang X Q, Xie J S 2006 Acta Phys. Sin. 55 3581(in Chinese)[袁宁一、 李金华、 范利宁、 王秀琴、 谢建生 2006 55 3581]
[10] Zhao H F, Cao Q X, Li J T 2008 Acta Phys. Sin. 57 5828(in Chinese)[赵慧芳、 曹全喜、 李建涛 2008 57 5828]
[11] Chen K, Fan G H, Zhang Y, Ding S F 2008 Acta Phys. Sin. 57 3138 (in Chinese) [陈 琨、 范广涵、 章 勇、 丁少锋 2008 57 3138] 〖12] Zhao L, Lu P F, Yu Z Y, Liu Y M, Wang D L, Ye H 2010 Chin. Phys. B 19 056104
[12] Zuo C Y, Wen J, Bai Y L 2010 Chin. Phys. B 19 047101
[13] Zhang F Y, You J Q, Zeng Z, Zhong G H 2007 Chin. Phys. 16 3815
[14] Zhang F C, Zhang Z Y, Zhang W H, Yan J F, Yong J N 2009 Chin. Phys. B 18 2508
[15] Yu F, Wang P J, Zhang C W F,2009 J. University of Jinan (Sci. Tech.) Ed. 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]
[16] Yu F, Wang P J, Zhang C W 2011 Acta Phys. Sin. 60 023101 (in Chinese) [于 峰、 王培吉、 张昌文 2011 60 023101]
[17] Yu F, Wang P J, Zhang C W 2010 Acta Phys. Sin. 59 7277(in Chinese) [于 峰、 王培吉、 张昌文 2010 59 7277]
[18] Thangaraju B 2002 Thin Solid Films 402 71
[19] Hazen R M, Finger L W 1981 J. Phys. Chem. Solid 42 143
[20] Bolzan A A, Fong C, Kennedy B J, Howard C J 1997 Acta Cryst. B 53 373
[21] 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]
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[1] Dolbec R, El Khakani M A, Serventi A M, Trudeau M , Saint-Jacques R G 2002 Thin Solid Films 419 230
[2] Aukkaravittayapun S, Wongtida N, Kasecwatin T, Charojrochkul S, Unnanon K, Chindaudom K 2006 Thin Solid Films 496 117
[3] Yamamoto T, Yoshida H K 1999 Jpn. J. Appl. Phys. Part 2 38 166
[4] Yamamoto T, Katayama Y H 2001 Physica B 302 155
[5] Du J, Ji Z G 2007 Acta Phys. Sin. 56 2388 (in Chinese) [杜 娟、 季振国 2007 56 2388]
[6] Bian J M, Li X M, Gao X D, Yu W D, Chen L D 2004 Appl. Phys. Lett. 84 541
[7] Chen L L, Ye Z Z, Lu J G, Chu P K 2006 Appl. Phys. Lett. 89 252113
[8] Ye H B, Kong J F, Shen W Z, Zhao J L, Li X M 2007 Appl. Phys. Lett. 90 102115
[9] Yuan N Y, Li J H, Fan L N, Wang X Q, Xie J S 2006 Acta Phys. Sin. 55 3581(in Chinese)[袁宁一、 李金华、 范利宁、 王秀琴、 谢建生 2006 55 3581]
[10] Zhao H F, Cao Q X, Li J T 2008 Acta Phys. Sin. 57 5828(in Chinese)[赵慧芳、 曹全喜、 李建涛 2008 57 5828]
[11] Chen K, Fan G H, Zhang Y, Ding S F 2008 Acta Phys. Sin. 57 3138 (in Chinese) [陈 琨、 范广涵、 章 勇、 丁少锋 2008 57 3138] 〖12] Zhao L, Lu P F, Yu Z Y, Liu Y M, Wang D L, Ye H 2010 Chin. Phys. B 19 056104
[12] Zuo C Y, Wen J, Bai Y L 2010 Chin. Phys. B 19 047101
[13] Zhang F Y, You J Q, Zeng Z, Zhong G H 2007 Chin. Phys. 16 3815
[14] Zhang F C, Zhang Z Y, Zhang W H, Yan J F, Yong J N 2009 Chin. Phys. B 18 2508
[15] Yu F, Wang P J, Zhang C W F,2009 J. University of Jinan (Sci. Tech.) Ed. 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]
[16] Yu F, Wang P J, Zhang C W 2011 Acta Phys. Sin. 60 023101 (in Chinese) [于 峰、 王培吉、 张昌文 2011 60 023101]
[17] Yu F, Wang P J, Zhang C W 2010 Acta Phys. Sin. 59 7277(in Chinese) [于 峰、 王培吉、 张昌文 2010 59 7277]
[18] Thangaraju B 2002 Thin Solid Films 402 71
[19] Hazen R M, Finger L W 1981 J. Phys. Chem. Solid 42 143
[20] Bolzan A A, Fong C, Kennedy B J, Howard C J 1997 Acta Cryst. B 53 373
[21] 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]
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