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N-doped Cu2O films are deposited at different temperatures by sputtering a CuO target in the mixture of Ar and N2. By the analysis of transmission spectra, it is found that the N-doped Cu2O films are changed into a direct allowed band-gap semiconductor and the optical band gap energy is enlarged to 2.52±0.03 eV for the films deposited at different temperatures. The first-principles calculations indicate that the energy band gap increase by 25%, which is in good agreement with the experimental result. The change from a direct forbidden band-gap transition to a direct allowed band-gap transition can be attributed to the occupation of 2p electrons of N at the top of valence band in the N-doped Cu2O film.
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Keywords:
- Cu2O:N /
- band gap /
- density of states
[1] Roos A, Chibuye T, Karlsson B 1983 Solar Energy Materials 7 453
[2] Ghisjen J, Tjeng L H, Elp J, Eskes H, Westerink J, Sawatzky G A, Czyzyk M T 1988 Phys. Rev. B 38 11322
[3] Matsuzaki K, Nomura K, Yanagi H, Kamiya T, Hirano M 2008 Appl. Phys. Lett. 93 202107
[4] Akimoto K, Ishizuka S, Yanagita M, Nawa Y, Goutam K P, Sakurai T 2006 Solar Energy 80 715
[5] Rakshani A E 1986 Solid State Electron. 29 7
[6] Mizuno K, IzakiM,Murase K, Shinagawa T, ChiganeM, InabaM, Tasaka A, Awakura Y 2005 Journal of the Electrochemical Society 152 C179
[7] Ivill M, Overberg M E, Abernathy C R, Norton D P, Hebard A F, Theodoropoulou N, Budai J D 2003 Solid-State Electronics 47 2215
[8] Ishizuka S,Kato S Akaimoto Y 2002 Appl. Phys. Lett. 80 950
[9] Kikuchi N, Tonooka K 2005 Thin Solid Films 486 33
[10] Ishizuka S, Kato S, Maruyama T, Akimoto K 2001 Jpn. J. Appl . Phys. 40 2765
[11] Nakano Y, Saeki S,Morikawa T 2009 Appl. Phys. Lett. 94 022111
[12] Shen X C 2002 Spectra and Optical Properties of Semiconductors (Beijing: Science Press) 2002 (in Chinese) [沈学础 2002 半导体光谱和光学性质(北京: 科学出版社)]
[13] Hohenberg P, Kohn W 1964 Phys. Rev. B 36 864
[14] Kresse G, Joubert D 1999 Phys. Rev. B 59 1758
[15] Adolph B, Furthmuller J, Bechstedt F 2001 Phys. Rev. B 63 125108
[16] Blochl P E 1994 Phys. Rev. B 50 17953
[17] Kresse G, Furthmuller J 1996 Phys. Rev. B 54 11169
[18] Perdew J P, Burke K, Ernzerhof M 1996 Phys. Rev. Lett. 77 3865
[19] Wei S H 2004 Computational Materials Science 30 337
[20] Li H J,Ma C Y, Li S, DongWJ, Zhang Q Y Journal of Functional Materials(Accepted) [李洪婧, 马春雨, 李帅, 董武军, 张庆瑜 {功能材料 ] (已接收)
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[1] Roos A, Chibuye T, Karlsson B 1983 Solar Energy Materials 7 453
[2] Ghisjen J, Tjeng L H, Elp J, Eskes H, Westerink J, Sawatzky G A, Czyzyk M T 1988 Phys. Rev. B 38 11322
[3] Matsuzaki K, Nomura K, Yanagi H, Kamiya T, Hirano M 2008 Appl. Phys. Lett. 93 202107
[4] Akimoto K, Ishizuka S, Yanagita M, Nawa Y, Goutam K P, Sakurai T 2006 Solar Energy 80 715
[5] Rakshani A E 1986 Solid State Electron. 29 7
[6] Mizuno K, IzakiM,Murase K, Shinagawa T, ChiganeM, InabaM, Tasaka A, Awakura Y 2005 Journal of the Electrochemical Society 152 C179
[7] Ivill M, Overberg M E, Abernathy C R, Norton D P, Hebard A F, Theodoropoulou N, Budai J D 2003 Solid-State Electronics 47 2215
[8] Ishizuka S,Kato S Akaimoto Y 2002 Appl. Phys. Lett. 80 950
[9] Kikuchi N, Tonooka K 2005 Thin Solid Films 486 33
[10] Ishizuka S, Kato S, Maruyama T, Akimoto K 2001 Jpn. J. Appl . Phys. 40 2765
[11] Nakano Y, Saeki S,Morikawa T 2009 Appl. Phys. Lett. 94 022111
[12] Shen X C 2002 Spectra and Optical Properties of Semiconductors (Beijing: Science Press) 2002 (in Chinese) [沈学础 2002 半导体光谱和光学性质(北京: 科学出版社)]
[13] Hohenberg P, Kohn W 1964 Phys. Rev. B 36 864
[14] Kresse G, Joubert D 1999 Phys. Rev. B 59 1758
[15] Adolph B, Furthmuller J, Bechstedt F 2001 Phys. Rev. B 63 125108
[16] Blochl P E 1994 Phys. Rev. B 50 17953
[17] Kresse G, Furthmuller J 1996 Phys. Rev. B 54 11169
[18] Perdew J P, Burke K, Ernzerhof M 1996 Phys. Rev. Lett. 77 3865
[19] Wei S H 2004 Computational Materials Science 30 337
[20] Li H J,Ma C Y, Li S, DongWJ, Zhang Q Y Journal of Functional Materials(Accepted) [李洪婧, 马春雨, 李帅, 董武军, 张庆瑜 {功能材料 ] (已接收)
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