The structural, electronic and magnetic properties of iron nanowires with different diameters

被引：2
|
作者：
Boutko, V. G. [1 ]
Gusev, A. A. [1 ]
Shevtsova, T. N. [1 ]
Pashkevich, Yu. G. [1 ]
机构：
[1] Natl Acad Sci Ukraine, AA Galkin Donetsk Inst Phys & Engn, UA-83114 Donetsk, Ukraine
来源：
LOW TEMPERATURE PHYSICS | 2012年 / 38卷 / 12期
关键词：
NI NANOWIRES; CARBON; 1ST-PRINCIPLES; FE; CO;
D O I：
10.1063/1.4770509
中图分类号：
O59 [应用物理学];
学科分类号：
摘要：
The electronic structure of iron nanowires with transverse dimensions up to 9 angstrom was calculated using the density functional theory methods. The calculations were carried out taking into account not only the transverse but also the longitudinal optimization of the structural parameters of nanowires. It was shown that the magnetic moments of Fe atoms, on average, decrease with increasing the transverse dimensions of the nanowires and increase with the distance from the nanowire axis. Giant magnetic anisotropy energy was obtained for Fe-1 and Fe-9 structures. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4770509]
引用
收藏
页码：1129 / 1132
页数：4
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