Structures and magnetic properties of Fe and Ni monoatomic chains encapsulated by Au nanotube

doi:10.1088/1674-1056/21/11/118102

中国物理B ›› 2012, Vol. 21 ›› Issue (11): 118102-118102.doi: 10.1088/1674-1056/21/11/118102

• INTERDISCIPLINARY PHYSICS AND RELATED AREAS OF SCIENCE AND TECHNOLOGY • 上一篇下一篇

Structures and magnetic properties of Fe and Ni monoatomic chains encapsulated by Au nanotube

韩志东, 李秀燕, 杨致, 刘瑞萍, 刘绍鼎, 张莹

College of Physics and Optoelectronics, Taiyuan University of Technology, Taiyuan 030024, China

收稿日期:2012-03-01 修回日期:2012-06-12 出版日期:2012-10-01 发布日期:2012-10-01
基金资助:
Project supported by the National Natural Science Foundation of China (Grant No. 11104199).

Structures and magnetic properties of Fe and Ni monoatomic chains encapsulated by Au nanotube

Han Zhi-Dong (韩志东), Li Xiu-Yan (李秀燕), Yang Zhi (杨致), Liu Rui-Ping (刘瑞萍), Liu Shao-Ding (刘绍鼎), Zhang Ying (张莹 )

College of Physics and Optoelectronics, Taiyuan University of Technology, Taiyuan 030024, China

Received:2012-03-01 Revised:2012-06-12 Online:2012-10-01 Published:2012-10-01
Contact: Li Xiu-Yan E-mail:lixiuyan@tyut.edu.cn
Supported by:
Project supported by the National Natural Science Foundation of China (Grant No. 11104199).

摘要/Abstract

摘要： Structures and magnetic properties of transition metal (TM) Fe or Ni monoatomic chains (MACs) encapsulated by Au (5, 5) nanotube (Fe@Au and Ni@Au) are investigated by using density functional theory (DFT). The calculated results show that both Fe@Au and Ni@Au prefer to adopt ferromagnetic (FM) orders as the ground states. Especially, the Fe@Au could keep the magnetic properties of free-standing Fe MAC, indicating that this system may be viewed as a new candidate in electromagnetic devices.

关键词: transition metal monoatomic chains, Au nanotube, structure, magnetic property

Abstract: Structures and magnetic properties of transition metal (TM) Fe or Ni monoatomic chains (MACs) encapsulated by Au (5, 5) nanotube (Fe@Au and Ni@Au) are investigated by using density functional theory (DFT). The calculated results show that both Fe@Au and Ni@Au prefer to adopt ferromagnetic (FM) orders as the ground states. Especially, the Fe@Au could keep the magnetic properties of free-standing Fe MAC, indicating that this system may be viewed as a new candidate in electromagnetic devices.

Key words: transition metal monoatomic chains, Au nanotube, structure, magnetic property

中图分类号: (Nanotubes)

81.07.De

71.15.Mb (Density functional theory, local density approximation, gradient and other corrections) 71.15.Nc (Total energy and cohesive energy calculations) 32.10.Dk (Electric and magnetic moments, polarizabilities)

韩志东, 李秀燕, 杨致, 刘瑞萍, 刘绍鼎, 张莹 . Structures and magnetic properties of Fe and Ni monoatomic chains encapsulated by Au nanotube[J]. 中国物理B, 2012, 21(11): 118102-118102.

Han Zhi-Dong (韩志东), Li Xiu-Yan (李秀燕), Yang Zhi (杨致), Liu Rui-Ping (刘瑞萍), Liu Shao-Ding (刘绍鼎), Zhang Ying (张莹 ). Structures and magnetic properties of Fe and Ni monoatomic chains encapsulated by Au nanotube[J]. Chin. Phys. B, 2012, 21(11): 118102-118102.

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Structures and magnetic properties of Fe and Ni monoatomic chains encapsulated by Au nanotube

Structures and magnetic properties of Fe and Ni monoatomic chains encapsulated by Au nanotube

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