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Nitrogen and silicon atoms have the smallest mismatch of bonding in the Si surface (111), and different percentages of nitrogen atoms are adopted to passivate silicon surface dangling bonds in the Si (111) orientation. The first-principle calculations showed that the band gap is broadened and the localized trap states are generated when the nitrogen atom content is 75%—100% in the Si surface (111). Then the corresponding local electronic-state model is proposed, and the physical mechanism of the previous experimental results of the visible PL emission on SiN films is clarified.
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Keywords:
- the first-principle calculations /
- SiN films /
- PL emission enhanced /
- localized trap states
[1] Cracium V, Boyd I W 1994 J. Appl. Phys. 75 1972
[2] Huang M C 2005 J. Xiamen Univ. (Natural Science) 44 874 (in Chinese) [黄美纯 2005 厦门大学学报 (自然科学版) 44 874]
[3] Canham L T 1990 Appl. Phys. Lett. 57 1046
[4] Nobuyoshi, Koshida 1992 Appl. Phys. Lett. 60 030347
[5] Wolkin M V, Jorne J, Fauchet P M 1999 Phys. Rev. Lett. 82 197
[6] Qin G G, Li Y J 2003 Phys. Rev. Lett. 68 085309
[7] Huang W Q, Jin F, Wang H X, Xu L, Wu K Y 2008 Appl. Phys. Lett. 92 221910
[8] Huang W Q, Lü Q, Xu L, Zhang R T, Wang H X, Jin F 2009 Chin. Phys. Lett. 26 026803
[9] Huang W Q, Wang X Y, Zhang R T, Yu S Q, Qin C J 2009 Acta Phys. Sin. 58 4652 (in Chinese) [黄伟其、王晓允、张荣涛、于世强、秦朝建 2009 58 4652]
[10] Huang W Q, Lü Q, Zhang R T, Wang X Y, Yu S Q 2009 Chin. Phys. B 18 5066
[11] Cen Z H, Xu J, Liu Y S, Li W, Xu L, Ma Z Y, Huang X F, Chen K J 2006 Appl. Phys. Lett. 89 163107
[12] Vanderbilt D 1990 Phys. Rev. B 41 7892
[13] Perdew J P, Burke K, Ernzerhof M 1996 Phys. Rev. Lett. 77 3865
[14] Car R, Parrinello M 1985 Phys. Rev. Lett. 55 2471
[15] Fischer T H, Almlof J 1992 J. Phys. Chem. 96 9768
[16] Segall M D, Lindan P L D 2002 J. Phys. Cond. Matt. 14 2717
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[1] Cracium V, Boyd I W 1994 J. Appl. Phys. 75 1972
[2] Huang M C 2005 J. Xiamen Univ. (Natural Science) 44 874 (in Chinese) [黄美纯 2005 厦门大学学报 (自然科学版) 44 874]
[3] Canham L T 1990 Appl. Phys. Lett. 57 1046
[4] Nobuyoshi, Koshida 1992 Appl. Phys. Lett. 60 030347
[5] Wolkin M V, Jorne J, Fauchet P M 1999 Phys. Rev. Lett. 82 197
[6] Qin G G, Li Y J 2003 Phys. Rev. Lett. 68 085309
[7] Huang W Q, Jin F, Wang H X, Xu L, Wu K Y 2008 Appl. Phys. Lett. 92 221910
[8] Huang W Q, Lü Q, Xu L, Zhang R T, Wang H X, Jin F 2009 Chin. Phys. Lett. 26 026803
[9] Huang W Q, Wang X Y, Zhang R T, Yu S Q, Qin C J 2009 Acta Phys. Sin. 58 4652 (in Chinese) [黄伟其、王晓允、张荣涛、于世强、秦朝建 2009 58 4652]
[10] Huang W Q, Lü Q, Zhang R T, Wang X Y, Yu S Q 2009 Chin. Phys. B 18 5066
[11] Cen Z H, Xu J, Liu Y S, Li W, Xu L, Ma Z Y, Huang X F, Chen K J 2006 Appl. Phys. Lett. 89 163107
[12] Vanderbilt D 1990 Phys. Rev. B 41 7892
[13] Perdew J P, Burke K, Ernzerhof M 1996 Phys. Rev. Lett. 77 3865
[14] Car R, Parrinello M 1985 Phys. Rev. Lett. 55 2471
[15] Fischer T H, Almlof J 1992 J. Phys. Chem. 96 9768
[16] Segall M D, Lindan P L D 2002 J. Phys. Cond. Matt. 14 2717
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