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By using the first principles method based on the density function theory (DFT) and the local density approximation (LDA), we study the ferromagnetic properties in N-doped(1120) ZnO thin films. Magnetic properties in one-N-doped ZnO are investigated. The spontaneous spin polarization comes from N 2p, O 2p and Zn 3d. Magnetic properties in two-N-doped ZnO are also investigated. The calculated results show that ferromagnetism (FM) coupling between N atoms is more energetically favorable for nine geometrically distinct configurations. The origin of the FM state in N-doped ZnO is also discussed by analyzing the coupling of N levels. Finally, the magnetic exchange coefficient and the Curie temperature are discussed. The result indicates that N-doped ZnO thin films show weak FM properties.
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Keywords:
- the first principles /
- semiconductor /
- ferromagnetism
[1] Pan F, Song C, Liu X J, Yang Y C, Zeng F, 2008 Materials Science and Engineering R 62 1
[2] [3] Schallenberg T, Munekata H 2006 Appl. Phys. Lett. 89 042507
[4] [5] Nazmul A M, Sugahara S, Tanaka M 2003 Phys. Rev. B 67 241308
[6] Shi L B, Kang L, Jin J W, Chi F 2009 Chin Phys. B 18 4418
[7] [8] [9] Cheng X W, Li X, Gao Y L, Yu Z, Long X, Liu Y 2009 Acta Phys. Sin. 58 2018 (in Chinese) [程兴旺、李 祥、高院玲、于 宙、龙 雪、刘 颖 2009 物理学报 59 2018]
[10] Liu X C, Lu Z H, Zhang F M 2010 Chin Phys. B 19 027502
[11] [12] [13] Lu Z L, Zou W Q, Xu M X, Zhang F M 2010 Chin. Phys. B 19 056101
[14] Shi H L, Duan Y F 2008 J. Appl. Phys. 103 073903
[15] [16] [17] Pan H, Yi J B, Shen L, Wu R Q, Yang J H, Lin J Y, Feng Y P, Ding J, Van L H, Yin J H 2007 Phys. Rev. Lett. 99 127201
[18] [19] Zhou S Q, Xu Q Y, Potzger K 2008 Appl. Phys. Lett. 93 232507
[20] [21] Herng T S, Lau S P, Wang L, Zhao B C, Yu S F, Tanemura M, Akaike A 2009 Appl. Phys. Lett. 95 012505
[22] Shen L, Wu R Q, Pan H, Peng G W, Yang M, Sha Z D, Feng Y P 2008 Phys. Rev B 78 073306
[23] [24] Payne M C, Teter M P, Allan D C, Arias T A, Joannopoulos J D 1992 Rev. Mod. Phys. 64 1045
[25] [26] [27] Ceperley D M, Alder B J 1980 Phys. Rev. Lett. 45 566
[28] [29] Perdew J P, Zunger A 1981 Phys. Rev. B 23 5048
[30] Yang Y, Qi J, Zhang Y, Liao Q, Tang L, Qin Z 2008 Appl. Phys. Lett. 92 183117
[31] [32] Assadi M H N, Zhang Y B, Li S 2009 J. Appl. Phys. 105 043906
[33] [34] [35] Wang Q, Sun Q, Jena P, Kawazoe Y 2009 Phys. Rev. B 79 115407
[36] [37] WaLsh A, Silva J L F, Wei S H 2008 Phys. Rev. Lett. 100 256401
[38] [39] Dev P, Xue Y and Zhang P 2008 Phys. Rev. Lett. 100 117204
[40] [41] Turek I, Kudrnovsk J, Bihlmayer G, Blugel S 2003 J. Phys.: Condens. Matter 15 2771
[42] Kurz P, Bihlmayer G, Blugel S 2002 J. Phys.: Condens. Matter 14 6353
[43] [44] [45] Bergqvist L, Kudrnovsky J, Drchal V, Korzhavyi P, Turek I 2004 Phys. Rev. Lett. 93 137202
[46] Wu Q Y, Chen Z G, Wu R, Xu G G, Huang Z G, Zhang F M, Du Y W 2007 Solid State Communciations 142 242
[47] [48] Shi L B, Jin J W, Xu C Y 2010 Modern Physics Letters B 2171
[49] -
[1] Pan F, Song C, Liu X J, Yang Y C, Zeng F, 2008 Materials Science and Engineering R 62 1
[2] [3] Schallenberg T, Munekata H 2006 Appl. Phys. Lett. 89 042507
[4] [5] Nazmul A M, Sugahara S, Tanaka M 2003 Phys. Rev. B 67 241308
[6] Shi L B, Kang L, Jin J W, Chi F 2009 Chin Phys. B 18 4418
[7] [8] [9] Cheng X W, Li X, Gao Y L, Yu Z, Long X, Liu Y 2009 Acta Phys. Sin. 58 2018 (in Chinese) [程兴旺、李 祥、高院玲、于 宙、龙 雪、刘 颖 2009 物理学报 59 2018]
[10] Liu X C, Lu Z H, Zhang F M 2010 Chin Phys. B 19 027502
[11] [12] [13] Lu Z L, Zou W Q, Xu M X, Zhang F M 2010 Chin. Phys. B 19 056101
[14] Shi H L, Duan Y F 2008 J. Appl. Phys. 103 073903
[15] [16] [17] Pan H, Yi J B, Shen L, Wu R Q, Yang J H, Lin J Y, Feng Y P, Ding J, Van L H, Yin J H 2007 Phys. Rev. Lett. 99 127201
[18] [19] Zhou S Q, Xu Q Y, Potzger K 2008 Appl. Phys. Lett. 93 232507
[20] [21] Herng T S, Lau S P, Wang L, Zhao B C, Yu S F, Tanemura M, Akaike A 2009 Appl. Phys. Lett. 95 012505
[22] Shen L, Wu R Q, Pan H, Peng G W, Yang M, Sha Z D, Feng Y P 2008 Phys. Rev B 78 073306
[23] [24] Payne M C, Teter M P, Allan D C, Arias T A, Joannopoulos J D 1992 Rev. Mod. Phys. 64 1045
[25] [26] [27] Ceperley D M, Alder B J 1980 Phys. Rev. Lett. 45 566
[28] [29] Perdew J P, Zunger A 1981 Phys. Rev. B 23 5048
[30] Yang Y, Qi J, Zhang Y, Liao Q, Tang L, Qin Z 2008 Appl. Phys. Lett. 92 183117
[31] [32] Assadi M H N, Zhang Y B, Li S 2009 J. Appl. Phys. 105 043906
[33] [34] [35] Wang Q, Sun Q, Jena P, Kawazoe Y 2009 Phys. Rev. B 79 115407
[36] [37] WaLsh A, Silva J L F, Wei S H 2008 Phys. Rev. Lett. 100 256401
[38] [39] Dev P, Xue Y and Zhang P 2008 Phys. Rev. Lett. 100 117204
[40] [41] Turek I, Kudrnovsk J, Bihlmayer G, Blugel S 2003 J. Phys.: Condens. Matter 15 2771
[42] Kurz P, Bihlmayer G, Blugel S 2002 J. Phys.: Condens. Matter 14 6353
[43] [44] [45] Bergqvist L, Kudrnovsky J, Drchal V, Korzhavyi P, Turek I 2004 Phys. Rev. Lett. 93 137202
[46] Wu Q Y, Chen Z G, Wu R, Xu G G, Huang Z G, Zhang F M, Du Y W 2007 Solid State Communciations 142 242
[47] [48] Shi L B, Jin J W, Xu C Y 2010 Modern Physics Letters B 2171
[49]
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