Open AccessStability and magnetism of fcc single-crystal nickel nanowires by first principles calculations
Author(s) -
Cheng Zhi-Da,
Jing Zhu,
Tao Sun
Publication year - 2011
Publication title -
wuli xuebao
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.199
H-Index - 47
ISSN - 1000-3290
DOI - 10.7498/aps.60.037504
Subject(s) - nanowire , magnetism , materials science , nickel , magnetic moment , condensed matter physics , crystal (programming language) , single crystal , nanotechnology , crystallography , metallurgy , physics , chemistry , computer science , programming language
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.