氮掺杂的金刚石磁性研究

林雪玲; 潘凤春

doi:10.7498/aps.62.166102

摘要

采用第一性原理计算方法研究金刚石中由空位或者N掺杂引起的磁特性. 发现-1价和-2 价的碳空位能分别产生3 B和2B的磁矩; -2价的碳空位能够引发长程有序的铁磁耦合状态, 而-1价的碳空位更倾向于反铁磁耦合.掺杂N元素能有效地控制空位的荷电状态及相应的磁相互作用, 这一结果为在金刚石中实现非过渡族金属掺杂的铁磁性提供了一条新的路径.

关键词:

We perform the first-principles calculations to investigate the roles of C vacancy and nitrogen impurity in the magnetic properties of diamond. The coupling is ferromagnetic between the C vacancies in -2e charged state, whereas they prefer to interact antiferromagnetically in -e charged state. Substituting C with N atoms can manipulate the charge states of C vacancies and the magnetic interactions between them. Our work offers a possible route toward high Curie temperature ferromagnetism in metal-free diamond.

Keywords:

作者及机构信息

1.
宁夏大学物理电气信息学院, 银川 750021

基金项目: 宁夏大学自然基金 (批准号: ZR1101, ZR1110)资助的课题.

Authors and contacts

1.
School of Physics and Electric Information Emgomeeromg, Ningxia University, Yinchuan 750021, China

Funds: Project supported by the Science Foundation of Ningxia University, China (Grant Nos. ZR1101, ZR1110).

参考文献

[1]	Mainwood A 1999 Phys. Sta. Sol. 25 172
[2]	Ban-Yam Y, Moustakes T D 1989 Nature 342 786
[3]	Moustakes T D 1989 Nature 342 786
[4]	Wu J, Ma Z B, Shen W L, Yan L, Pan X, Wang J H 2013 Acta Phys. Sin. 62 075202 (in Chinese) [吴俊, 马志斌, 沈武林, 严垒, 潘鑫, 汪建华 2013 物理学报 62 075202]
[5]	Monkhorst H J, Pack J D 1976 Phys. Rev. B 13 5188
[6]	Pack J D, Monkhorst H J 1977 Phys. Rev. B 16 1748
[7]	Perdew J P, Burke K, Ernzerhof M 1996 Phys. Rev. Lett. 77 3865
[8]	Perdew J P, Burke K, Wang Y 1996 Phys. Rev. B 54 16533
[9]	Perdew J P, Wang Y 1992 Phys. Rev. B 45 13244
[10]	Zhou S, Xu Q, Potzger K, Talut G, Grtzsche R, Fassbender J, Vinnichenko M, Grenzer J, Helm M, Hochmuth H, Lorenz M, Grundmann M, Schmidt H 2008 Appl. Phys. Lett. 93 232507
[11]	Pratibha D, Xue Y, Zhang P H 2008 Phys. Rev. Lett. 100 117204
[12]	Pan H, Li 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
[13]	Rahman G, García-Suárez V M, Hong S C 2008 Phys. Rev. B 78 184404
[14]	Zhou S Q, Čižmár E, Potzger K, Krause M, Talut G, Helm M, Fassbender J, Zvyagin S A, Wosnitza J, Schmidt H 2009 Phys. Rev. B 79 113201
[15]	Esquinazi P, Spemann D, Höhne R, Setzer A, Han K H, Butz T 2003 Phys. Rev. Lett. 91 227201
[16]	Xia H, Li W, Song Y, Yang X, Liu X, Zhao M, Xia Y, Song C, Wang T W, Zhu D, Gong J, Zhu Z 2008 Adv. Mater. 20 4679
[17]	Yang X, Xia H, Qin X, Li W, Dai Y, Liu X, Zhao M, Xia Y, Yan S, Wang B 2009 Carbon 47 1399

施引文献

[1]	Mainwood A 1999 Phys. Sta. Sol. 25 172
[2]	Ban-Yam Y, Moustakes T D 1989 Nature 342 786
[3]	Moustakes T D 1989 Nature 342 786
[4]	Wu J, Ma Z B, Shen W L, Yan L, Pan X, Wang J H 2013 Acta Phys. Sin. 62 075202 (in Chinese) [吴俊, 马志斌, 沈武林, 严垒, 潘鑫, 汪建华 2013 物理学报 62 075202]
[5]	Monkhorst H J, Pack J D 1976 Phys. Rev. B 13 5188
[6]	Pack J D, Monkhorst H J 1977 Phys. Rev. B 16 1748
[7]	Perdew J P, Burke K, Ernzerhof M 1996 Phys. Rev. Lett. 77 3865
[8]	Perdew J P, Burke K, Wang Y 1996 Phys. Rev. B 54 16533
[9]	Perdew J P, Wang Y 1992 Phys. Rev. B 45 13244
[10]	Zhou S, Xu Q, Potzger K, Talut G, Grtzsche R, Fassbender J, Vinnichenko M, Grenzer J, Helm M, Hochmuth H, Lorenz M, Grundmann M, Schmidt H 2008 Appl. Phys. Lett. 93 232507
[11]	Pratibha D, Xue Y, Zhang P H 2008 Phys. Rev. Lett. 100 117204
[12]	Pan H, Li 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
[13]	Rahman G, García-Suárez V M, Hong S C 2008 Phys. Rev. B 78 184404
[14]	Zhou S Q, Čižmár E, Potzger K, Krause M, Talut G, Helm M, Fassbender J, Zvyagin S A, Wosnitza J, Schmidt H 2009 Phys. Rev. B 79 113201
[15]	Esquinazi P, Spemann D, Höhne R, Setzer A, Han K H, Butz T 2003 Phys. Rev. Lett. 91 227201
[16]	Xia H, Li W, Song Y, Yang X, Liu X, Zhao M, Xia Y, Song C, Wang T W, Zhu D, Gong J, Zhu Z 2008 Adv. Mater. 20 4679
[17]	Yang X, Xia H, Qin X, Li W, Dai Y, Liu X, Zhao M, Xia Y, Yan S, Wang B 2009 Carbon 47 1399

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