Magnetic properties of nitrogen doped ZnO

doi:10.1088/1674-1056/19/12/127001

Abstract Using the first principle method based on density functional theory, this paper studies the electronic structure and the ferromagnetic stability in N-doped ZnO. The calculated results based on local density approximation (LDA) and LDA+U method show that ferromagnetism coupling between N atoms is more energetically favourable for eight geometrically distinct configurations. The dominant ferromagnetic interaction is due to the hybridization between O 2p and N 2p. The origin of the ferromagnetic state in N doped ZnO is discussed by analysing coupling between N 2p levels. We also analyse N dopant concentration and lattice strain effect on ferromagnetism.

Keywords: first principles semiconductor ferromagnetism strain

Received: 19 May 2010
Revised: 15 July 2010
Accepted manuscript online:

PACS:	61.72.S-	(Impurities in crystals)
	71.15.Mb	(Density functional theory, local density approximation, gradient and other corrections)
	71.20.Nr	(Semiconductor compounds)
	75.50.Dd	(Nonmetallic ferromagnetic materials)
	75.50.Pp	(Magnetic semiconductors)

Fund: Project supported by the Science Foundation from the Educational Department of Liaoning Province of China (Grant No. L2010003).

Cite this article:

Shi Li-Bin(史力斌), Jin Jian-Wei(金健维), and Zhang Tian-Qian(张天羡) Magnetic properties of nitrogen doped ZnO 2010 Chin. Phys. B 19 127001

[1]	Pan F, Song C, Liu X J, Yang Y C and Zeng F 2008 Mater. Sci. Eng. R 62 1
[2]	Matsukura F, Ohno H, Shen A and Sugawara Y 1998 Phys. Rev. B 57 R 2037
[3]	Schallenberg T and Munekata H 2006 Appl. Phys. Lett. 89 042507
[4]	Nazmul A M, Sugahara S and Tanaka M 2003 Phys. Rev. B 67 241308
[5]	Shi L B, Kang L, Jin J W and Chi F 2009 Chin. Phys. B 18 4418
[6]	Shi L B, Cheng S, Li R B and Li M B 2009 Acta Phys. Sin. 58 6446 (in Chinese)
[7]	Wang Q, Sun Q, Jena Puru and Kawazoe Y 2009 Phys. Rev. B 79 115407
[8]	Wakano T, Fujimura N, Morinaga Y, Abe N, Ashida A and Ito T 2001 Physica C 10 260
[9]	Yin Z, Chen N, Yang F, Song S, Chai C, Zhong J, Qian H and Ibrahim K 2005 Solid State Commun. 135 430
[10]	Snure M, Kumar D and Tiwari A 2009 Appl. Phys. Lett. 94 012510
[11]	Herng T S, Lau S P, Wang L, Zhao B C, Yu S F, Tanemura M, Akaike A and Teng T S 2009 Appl. Phys. Lett. 95 012505
[12]	Zhou S Q, Xu Q Y and Potzger K 2008 Appl. Phys. Lett. 93 232507
[13]	Pan H, Yi J B, Shen L, Wu R Q and Yang J H 2007 Phys. Rev. Lett. 99 127201
[14]	Shen L, Wu R Q, Pan H, Peng G W, Yang M, Sha Z D and Feng Y P 2008 Phys. Rev. B 78 073306
[15]	Payne M C, Teter M P, Allan D C, Arias T A and Joannopoulos J D 1992 Rev. Mod. Phys. 64 1045
[16]	Anisimov V I, Zaanen J and Andersen O K 1991 Phys. Rev. B 44 943
[17]	Nov'ak P, Boucher F and Greeier P 2001 Phys. Rev. B 63 235114
[18]	Mohn P, Persson C, Blaha P and Schwarz K 2001 Phys. Rev. Lett. 87 196401
[19]	Yang Y, Qi J, Zhang Y, Liao Q, Tang L and Qin Z 2008 Appl. Phys. Lett. 92 183117
[20]	Ley L, Pollak R A, Mcfeely F R, Kowalczyk S P and Shirley D A 1974 Phys. Rev. B 9 600
[21]	Lu Z L, Hsu H S and Tzeng Y H 2009 Appl. Phys. Lett. 94 152507
[22]	Kan E J, Yuan L F and Yang J 2007 J. Appl. Phys. 102 033915
[23]	Dalpian G M, Yan Y and Wei S H 2006 Appl. Phys. Lett. 89 011907
[24]	Walsh A, Silva J L F and Wei S H 2008 Phys. Rev. Lett. 100 256401
[25]	Zhou G C, Sun L Z, Zhong X L, Chen X, Wei L and Wang J B 2007 Phys. Lett. A 368 112
[26]	Yakunin A M, Silov A Y, Koenraad P M and Tang J M 2007 Nature Materials 6 512
[27]	Li Y F, Yao B, Lu Y M, Cong C X, Zhang Z Z, Gai Y Q and Zheng C J 2007 Appl. Phys. Lett. 91 021915
[28]	Liu X J, Song C, Zeng F, Pan F, He B and Yan W S 2008 J. Appl. Phys. 103 093911

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Magnetic properties of nitrogen doped ZnO

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