Please use this identifier to cite or link to this item: http://hdl.handle.net/10397/5058
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Title: Gold nanotube encapsulation enhanced magnetic properties of transition metal monoatomic chains : an ab initio study
Authors: Zhu, L
Wang, J
Ding, F 
Issue Date: 14-Feb-2009
Source: Journal of chemical physics, 14 Feb. 2009, v. 130, no. 6, 064706, p. 1-5
Abstract: The magnetic properties of gold nanotubes encapsulated transition metal (TM, TM=Co and Mn) and monoatomic chains (TM@Au) are studied using first-principles density functional calculations. The TM chains are significantly stabilized by the gold nanotube coating. TM–TM distance-dependent ferromagnetic-antiferromagnetic phase transition in TM@Au is observed and can be understood by Ruderman–Kittel–Kasuya–Yosida (RKKY) model. The magnetocrystalline anisotropy energies of the TM@Au tubes are dramatically enhanced by one order of magnitude compared to those of free TM chains. Furthermore, the stronger interaction between Mn chain and gold nanotube even switches the easy magnetization axis along the tube.
Keywords: Ab initio calculations
Cobalt compounds
Density functional theory
Ferromagnetic-antiferromagnetic transitions
Gold compounds
Magnetic anisotropy
Manganese compounds
Nanotubes
RKKY interaction
Publisher: American Institute of Physics
Journal: Journal of chemical physics 
ISSN: 0021-9606
EISSN: 1089-7690
DOI: 10.1063/1.3055520
Rights: © 2009 American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics. The following article appeared in L. Zhu, J. Wang & F. Ding, J. Chem. Phys. 130, 064706 (2009) and may be found at http://link.aip.org/link/?jcp/130/064706.
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