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Based on the density functional theory, the electronic properties of N-doped titanates are investigated. It is found that the titanate doped by a nonmagnetic 2p light element N is ferromagnetic. The local magnetic moment is localized mainly on doped N atoms. Our results indicate that the N-doped titanates may be potential candidates for dilute magnetic semiconducting materials and multiferric materials.
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Keywords:
- titanates /
- electronic structures /
- magnetic properties
[1] Venkatesan M, Fitzgerald C B, Coey J M D 2004 Nature 430 630
[2] Hong N H, Sakai J, Poirot N, Briz V 2006 Phys. Rev. B 73 132404
[3] [4] Yang K, Dai Y, Huang B, Feng Y P 2010 Phys. Rev. B 81 033202
[5] [6] Hong N H, Sakai J, Poirot N, Briz V 2007 J. Phys.: Condens. Matter 19 036219
[7] [8] [9] Liu G D, Ji S L, Yin L L, Fei G T, Ye C H 2010 J. Phys.: Condens. Matter 22 046002
[10] Pan H, Yi J B, Shen L, Wu R Q, Yang J H, Liu J Y, Feng Y P, Ding J, Van L H, Yin J H 2007 Phys. Rev. Lett. 99 127201
[11] [12] [13] Hong N H, Poirot N, Sakai J 2008 Phys. Rev. B 77 033205
[14] [15] Osorio-Guilln J, Lany S, Barabash S V, Zunger A 2006 Phys. Rev. Lett. 96 107203
[16] [17] Kenmochi K, Seike M, Sato K, Yanase A, Yoshida H K 2004 Jpn. J. Appl. Phys. 43 L934
[18] Elfimov I S, Rusydi A, Csiszar S I, Hu Z, Hsieh H H, Liu H J, Chen C T, Liang R, Sawatzky G A 2007 Phys. Rev. Lett. 98 137202
[19] [20] [21] Droghetti A, Sanvito S 2009 Appl. Phys. Lett. 94 252505
[22] [23] Cao D, Cai M Q, Zhang Y, Hu W Y 2009 Phys. Chem. Chem. Phys. 11 10934
[24] [25] Shein I R, Ivanovskii A L 2007 Phys. Rev. A 371 155
[26] [27] Liu C M, Xiang X, Zu X T 2009 Chin. J. Phys. 47 893
[28] [29] Guo J Y, Zheng G, He K H, Chen J Z 2008 Acta Phys. Sin. 57 3740 (in Chinese) [郭建云、郑 广、何开华、陈敬中 2008 57 3740]
[30] Xing H Y, Fan G H, Zhang Y, Zhao D G 2009 Acta Phys. Sin. 58 450 (in Chinese) [邢海英、范广涵、章 勇、赵德刚 2009 58 450]
[31] [32] Peng L P, Xu L, Yin J W 2007 Acta Phys. Sin. 56 1585 (in Chinese) [彭丽萍、徐 凌、尹建武 2007 56 1585]
[33] [34] Yu F, Wang P J, Zhang C W 2010 Acta Phys. Sin. 59 7285 (in Chinese) [于 峰、王培吉、张昌文 2010 59 7285]
[35] [36] [37] Barth T 1925 Norsk Geol. Tidsskr. 8 201
[38] [39] Meyer G M, Nelmes R J, Hutton J 1978 Ferroelectrics 21 461
[40] [41] Miyake S, Ueda R 1947 J. Phys. Soc. Jpn. 2 93
[42] Segall M D, Lindan P J D, Probert M J, Pickard C J, Hasnip P J, Clark S J, Payne M C 2002 J. Phys: Condens. Matter 14 2717
[43] [44] [45] Marozau I, Shkabko A, Dbeli M, Lippert T, Logvinovich D, Mallepell M, Schneider C, Weidenkaff A, Wokaun A 2009 Materials 2 1388
[46] [47] Ueda K, Yanagi H, Hosono H, Kawazoe H 1997 Phys. Rev. B 56 12998
[48] [49] Cardona M 1965 Phys. Rev. A 140 651
[50] [51] Casella R C, Keller S P 1959 Phys. Rev. 116 1463
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[1] Venkatesan M, Fitzgerald C B, Coey J M D 2004 Nature 430 630
[2] Hong N H, Sakai J, Poirot N, Briz V 2006 Phys. Rev. B 73 132404
[3] [4] Yang K, Dai Y, Huang B, Feng Y P 2010 Phys. Rev. B 81 033202
[5] [6] Hong N H, Sakai J, Poirot N, Briz V 2007 J. Phys.: Condens. Matter 19 036219
[7] [8] [9] Liu G D, Ji S L, Yin L L, Fei G T, Ye C H 2010 J. Phys.: Condens. Matter 22 046002
[10] Pan H, Yi J B, Shen L, Wu R Q, Yang J H, Liu J Y, Feng Y P, Ding J, Van L H, Yin J H 2007 Phys. Rev. Lett. 99 127201
[11] [12] [13] Hong N H, Poirot N, Sakai J 2008 Phys. Rev. B 77 033205
[14] [15] Osorio-Guilln J, Lany S, Barabash S V, Zunger A 2006 Phys. Rev. Lett. 96 107203
[16] [17] Kenmochi K, Seike M, Sato K, Yanase A, Yoshida H K 2004 Jpn. J. Appl. Phys. 43 L934
[18] Elfimov I S, Rusydi A, Csiszar S I, Hu Z, Hsieh H H, Liu H J, Chen C T, Liang R, Sawatzky G A 2007 Phys. Rev. Lett. 98 137202
[19] [20] [21] Droghetti A, Sanvito S 2009 Appl. Phys. Lett. 94 252505
[22] [23] Cao D, Cai M Q, Zhang Y, Hu W Y 2009 Phys. Chem. Chem. Phys. 11 10934
[24] [25] Shein I R, Ivanovskii A L 2007 Phys. Rev. A 371 155
[26] [27] Liu C M, Xiang X, Zu X T 2009 Chin. J. Phys. 47 893
[28] [29] Guo J Y, Zheng G, He K H, Chen J Z 2008 Acta Phys. Sin. 57 3740 (in Chinese) [郭建云、郑 广、何开华、陈敬中 2008 57 3740]
[30] Xing H Y, Fan G H, Zhang Y, Zhao D G 2009 Acta Phys. Sin. 58 450 (in Chinese) [邢海英、范广涵、章 勇、赵德刚 2009 58 450]
[31] [32] Peng L P, Xu L, Yin J W 2007 Acta Phys. Sin. 56 1585 (in Chinese) [彭丽萍、徐 凌、尹建武 2007 56 1585]
[33] [34] Yu F, Wang P J, Zhang C W 2010 Acta Phys. Sin. 59 7285 (in Chinese) [于 峰、王培吉、张昌文 2010 59 7285]
[35] [36] [37] Barth T 1925 Norsk Geol. Tidsskr. 8 201
[38] [39] Meyer G M, Nelmes R J, Hutton J 1978 Ferroelectrics 21 461
[40] [41] Miyake S, Ueda R 1947 J. Phys. Soc. Jpn. 2 93
[42] Segall M D, Lindan P J D, Probert M J, Pickard C J, Hasnip P J, Clark S J, Payne M C 2002 J. Phys: Condens. Matter 14 2717
[43] [44] [45] Marozau I, Shkabko A, Dbeli M, Lippert T, Logvinovich D, Mallepell M, Schneider C, Weidenkaff A, Wokaun A 2009 Materials 2 1388
[46] [47] Ueda K, Yanagi H, Hosono H, Kawazoe H 1997 Phys. Rev. B 56 12998
[48] [49] Cardona M 1965 Phys. Rev. A 140 651
[50] [51] Casella R C, Keller S P 1959 Phys. Rev. 116 1463
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