物理学报2011，Vol.60Issue(3)：672-676,5.
面心立方单晶镍纳米线稳定性及磁性的第一性原理计算
Stability and magnetism of fcc single-crystal nickel nanowires by first principles calculations
程志达 1朱静 2孙铁昱1
作者信息
- 1. 清华大学材料科学与工程系,北京100084
- 2. 北京电子显微镜中心,北京100084
- 折叠
摘要
Abstract
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.关键词
镍/纳米线/第一性原理/原子磁矩Key words
nickel/ nanowire/ first principles/ magnetic moment引用本文复制引用
程志达,朱静,孙铁昱..面心立方单晶镍纳米线稳定性及磁性的第一性原理计算[J].物理学报,2011,60(3):672-676,5.
