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The stability and magnetism in fcc single-crystal nickel nanowires with low-index axial direction are studied by first principles methods in this work. For fcc nickel nanowires, it is found that [110] is the most stable direction, while [111] is less stable and [001] the least stable. Nickel nanowires can be described by a simple core-shell model. The core atoms of nanowires have almost the same magnetic moment as in bulk metal. Surface atoms of nickel nanowires have larger atomic magnetic moments in varying degrees related to axial direction. In our calculated nanowires with low-index axial directions, surface atoms in [110] nanowires have lowest magnetic moments while those in [100] nanowires have the largest.
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Keywords:
- nickel /
- nanowire /
- first principles /
- magnetic moment
[1] Zhou W, Guo L 2006 Chemistry 69 1 (in Chinese) [周 苇、郭 林 2006 化学通报 69 1]
[2] Du Y W, Xu M X, Wu J, Shi Y B, Lu H X, Xue R H 1992 Acta Phys. Sin. 41 149 (in Chinese) [都有为、徐明祥、吴 坚、史莹冰、陆怀先、薛荣华 1992 物理学报 41 149]
[3] Li H, Gong W 1991 Acta Phys. Sin. 40 1356 (in Chinese) [李 华、龚伟 1991 物理学报 40 1356]
[4] Cariolle D, Amodei M, Déqué M, Mahfouf J F, Simon P, and Teyssédre H and Whitney T M 1993 Science 261 1313
[5] Cheng Z D, Zhu J, Tang Z 2009 J. Appl. Phys. 105 103906
[6] Li Y F, Yin S Z, Vázquez M 2005 Acta Phys. Sin. 54 3391 (in Chinese) [李印峰、 尹世忠、 Vázquez M 2005 物理学报 54 3391]
[7] Lu H P, Han M G, Den L J, Liang D F, Ou Y 2010 Acta Phys. Sin. 59 2090 (in Chinese) [陆海鹏、 韩满贵、 邓龙江、 梁迪飞、 欧 雨 2009 物理学报 59 2090]
[8] Xiao J J, Sun C, Xue D S, Li F S 2001 Acta Phys. Sin. 50 1605 (in Chinese) [肖君军、 孙 超、 薛德胜、 李发伸 2001 物理学报 50 1605]
[9] Jin Y J, Lin J B, Lee J I 2007 Chin. Phys. 16 506
[10] Ren Y, Wang J B, Liu Q F, Han X H, Xue D S 2009 Chin. Phys. B 18 3573
[11] Cortés A, Riveros G, Palma J L, Denardin J C, Marotti R E, Dalchiele E A, Gómez H 2009 J. Nanosci. Nanotechnol. 9 1992
[12] Pradhan B K, Kyotani T, Tomita A 1999 Chem. Commun. 1317
[13] Tian F, Chen J, Zhu J, Wei D 2008 J. Appl. Phys. 103 013901
[14] Tian F, Zhu J, Wei D 2007 J. Phys. Chem. 111 12669
[15] Tian F, Zhu J, Wei D 2007 J. Phys. Chem. 111 6994
[16] Tian F, Zhu J, Wei D, Shen Y T 2005 J. Phys. Chem. B 109 14852
[17] Soler J M, Artacho E, Gale J D, García A, Junquera J, Ordejón P, Sánchez-Portal D 2003 J. Phys. Condens. Mat. 14 2745
[18] Cheng Z D, Ling T, Zhu J 2010 Chin. Phys. B 19 057101
[19] Polesya S, ipr O, Bornemann S, Minwwár J, Ebert H 2006 Europhys. Lett. 74 1074
[20] Postnikov A V, Entel P, Soler J M 2003 Eur. Phys. J. D 25 261
[21] Naghash A R, Etsell T H, Xu S 2006 Chem. Mater. 18 2480
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[1] Zhou W, Guo L 2006 Chemistry 69 1 (in Chinese) [周 苇、郭 林 2006 化学通报 69 1]
[2] Du Y W, Xu M X, Wu J, Shi Y B, Lu H X, Xue R H 1992 Acta Phys. Sin. 41 149 (in Chinese) [都有为、徐明祥、吴 坚、史莹冰、陆怀先、薛荣华 1992 物理学报 41 149]
[3] Li H, Gong W 1991 Acta Phys. Sin. 40 1356 (in Chinese) [李 华、龚伟 1991 物理学报 40 1356]
[4] Cariolle D, Amodei M, Déqué M, Mahfouf J F, Simon P, and Teyssédre H and Whitney T M 1993 Science 261 1313
[5] Cheng Z D, Zhu J, Tang Z 2009 J. Appl. Phys. 105 103906
[6] Li Y F, Yin S Z, Vázquez M 2005 Acta Phys. Sin. 54 3391 (in Chinese) [李印峰、 尹世忠、 Vázquez M 2005 物理学报 54 3391]
[7] Lu H P, Han M G, Den L J, Liang D F, Ou Y 2010 Acta Phys. Sin. 59 2090 (in Chinese) [陆海鹏、 韩满贵、 邓龙江、 梁迪飞、 欧 雨 2009 物理学报 59 2090]
[8] Xiao J J, Sun C, Xue D S, Li F S 2001 Acta Phys. Sin. 50 1605 (in Chinese) [肖君军、 孙 超、 薛德胜、 李发伸 2001 物理学报 50 1605]
[9] Jin Y J, Lin J B, Lee J I 2007 Chin. Phys. 16 506
[10] Ren Y, Wang J B, Liu Q F, Han X H, Xue D S 2009 Chin. Phys. B 18 3573
[11] Cortés A, Riveros G, Palma J L, Denardin J C, Marotti R E, Dalchiele E A, Gómez H 2009 J. Nanosci. Nanotechnol. 9 1992
[12] Pradhan B K, Kyotani T, Tomita A 1999 Chem. Commun. 1317
[13] Tian F, Chen J, Zhu J, Wei D 2008 J. Appl. Phys. 103 013901
[14] Tian F, Zhu J, Wei D 2007 J. Phys. Chem. 111 12669
[15] Tian F, Zhu J, Wei D 2007 J. Phys. Chem. 111 6994
[16] Tian F, Zhu J, Wei D, Shen Y T 2005 J. Phys. Chem. B 109 14852
[17] Soler J M, Artacho E, Gale J D, García A, Junquera J, Ordejón P, Sánchez-Portal D 2003 J. Phys. Condens. Mat. 14 2745
[18] Cheng Z D, Ling T, Zhu J 2010 Chin. Phys. B 19 057101
[19] Polesya S, ipr O, Bornemann S, Minwwár J, Ebert H 2006 Europhys. Lett. 74 1074
[20] Postnikov A V, Entel P, Soler J M 2003 Eur. Phys. J. D 25 261
[21] Naghash A R, Etsell T H, Xu S 2006 Chem. Mater. 18 2480
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