Reduction of defect-induced ferromagnetic stability in passivated ZnO nanowires

doi:10.1088/1674-1056/24/3/037504

Abstract First-principles calculations are performed to study the electronic structures and magnetic properties of ZnO nanowires (NM). Our results indicate that the single Zn defect can induce large local magnetic moment (～ 2μ_B) in the ZnO NWs, regardless of the surface modification. Interestingly, we find that local magnetic defects have strong spin interaction, and favor room-temperature ferromagnetism in bared ZnO NW. On the other hand, although H passivation does not destroy the local magnetic moment of Zn vacancy, it does greatly reduce the spin interaction between magnetic defects. Therefore, our results indicate that H passivation should be avoided in the process of experiments to maintain the room-temperature ferromagnetism.

Keywords: vacancy magnetic interaction ZnO nanowires DFT calculations

Received: 16 July 2014
Revised: 15 October 2014
Accepted manuscript online:

PACS:	75.50.Pp	(Magnetic semiconductors)
	71.15.Mb	(Density functional theory, local density approximation, gradient and other corrections)
	71.55.Gs	(II-VI semiconductors)
	75.10.-b	(General theory and models of magnetic ordering)

Fund: Project supported by the National Natural Science Foundation of China (Grant Nos. 11474165, 21203096, and 11204137), the Natural Science Foundation of Jiangsu Province, China (Grant Nos. BK20130031, BK20131420, and BK2012392), and the Fundamental Research Funds for the Central Universities of China (Grant No. 30920130111016).

Corresponding Authors: Wu Fang
E-mail: fangwu@mail.ustc.edu.cn

Cite this article:

Wu Fang (吴芳), Meng Pei-Wen (孟培雯), Luo Kang (罗康), Liu Yun-Fei (刘云飞), Kan Er-Jun (阚二军) Reduction of defect-induced ferromagnetic stability in passivated ZnO nanowires 2015 Chin. Phys. B 24 037504

[1]	Wolf S, Awschalom D, Buhrman R, Daughton J, Molnár S, Roukes M, Chtchelkanova A and Treger D 2001 Science 294 1488
[2]	Zunger A and Lany S 2010 Physics 3 53
[3]	Ohno H 1998 Science 281 951
[4]	Yamada Y, Ueno K, Fukumura T, Yuan H, Shimotani H, Iwasa Y, Gu L, Tsukimoto S, Ikuhara Y and Kawasaki M 2011 Science 332 1065
[5]	Jungwirth T, Sinova J, Mašek J, Kučera J and MacDonald A 2006 Rev. Mod. Phys. 78 809
[6]	Norton D, Pearton S, Hebard A, Theodoropoulou N, Boatner L and Wilson R 2003 Appl. Phys. Lett. 82 239
[7]	Dietl T, Ohno H, Matsukura F, Cibert J and Ferrand D 2000 Science 287 1019
[8]	Esquinazi P, Spemann D, Höhne R, Setzer A, Han K and Butz T 2003 Phys. Rev. Lett. 91 227201
[9]	Garcia M, Merino J, Fernández P E, Quesada A, Venta J, Ruíz González M, Castro G, Crespo P, Llopis J, González-Calbet M and Hernando A 2007 Nano Lett. 7 1489
[10]	Ohldag H, Tyliszczak T, Höhne R, Spemann D, Esquinazi P, Ungureanu M and Butz T 2007 Phys. Rev. Lett. 98 187204
[11]	Venkatesan M, Fitzgerald C and Coey J 2004 Nature 430 630
[12]	Zhu X and Su H 2009 Phys. Rev. B 79 165401
[13]	Wu H, Stroppa A, Sakong S, Picozzi S, Scheffler M and Kratzer P 2010 Phys. Rev. Lett. 105 267203
[14]	Das Pemmaraju C and Sanvito S 2005 Phys. Rev. Lett. 94 217205
[15]	Chan J, Lany S and Zunger A 2009 Phys. Rev. Lett. 103 016404
[16]	Xia H, Li W, Song Y, Yang X, Liu X, Zhao M, Xia Y, Song C, Wang T, Zhu D, Gong J and Zhu Z 2008 Adv. Mater. 20 4679
[17]	Pan H, Yi J, Shen L, Wu R, Yang L, Lin J, Feng Y, Ding Y, Van H and Yin J 2007 Phys. Rev. Lett. 99 127201
[18]	Song B, Bao H, Li H, Lei M, Peng T, Jian J, Liu J, Wang W and Chen X 2009 J. Am. Chem. Soc. 131 1376
[19]	Liu Y, Wang G, Wang S, Yang J, Chen L, Qin X, Song B, Wang B and Chen X 2011 Phys. Rev. Lett. 106 087205
[20]	Kan E, Wu F, Zhang Y, Xiang H, Lu R, Xiao C, Deng K and Su H 2012 Appl. Phys. Lett. 100 072401
[21]	Peng H, Xiang H, Wei S, Li S, Xia J and Li J 2009 Phys. Rev. Lett. 102 017201
[22]	Dev P, Xue Y and Zhang P 2008 Phys. Rev. Lett. 100 117204
[23]	Kan E, Wu F, Wu H, Xiao C, Xiang H and Deng K 2013 Appl. Phys. Lett. 102 022422
[24]	Xiang H and Wei S 2008 Nano Lett. 8 1825
[25]	Kim B and Kwon J 2014 Sci. Rep. 4 4379
[26]	Bai Y, Yu H, Li Z, Amal R, Lu G and Wang L 2012 Adv. Mater. 24 5850
[27]	Zhu R, Zhang W, Li C and Yang R 2013 Nano Lett. 13 5171
[28]	McCune M, Zhang W and Deng Y 2012 Nano Lett. 12 3656
[29]	Cha S, Jang J, Choi Y, Amaratunga A, Ho G, Welland M, Hasko D, Kang D and Kim J 2006 Appl. Phys. Lett. 89 263102
[30]	Bao J, Zimmler M, Capasso F, Wang X and Ren Z 2006 Nano Lett. 6 1719
[31]	Zhu G, Yang R, Wang S and Wang Z 2010 Nano Lett. 10 3151
[32]	Kresse G and Hafner J 1993 Phys. Rev. B 47 558
[33]	Perdew J and Wang Y 1992 Phys. Rev. B 45 13244
[34]	Kresse G and Furthmüller J 1996 Comput. Mater. Sci. 6 15
[35]	Kresse G and Furthmüller J 1996 Phys. Rev. B 54 1169
[36]	Li J, Jiang Y, Li Y, Yang D, Xu Y and Yan M 2013 Appl. Phys. Lett. 102 072406
[37]	Phan T, Zhang Y, Yang D, Nghia N, Thanh T and Yu S 2013 Appl. Phys. Lett. 102 072408

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