First principle study on the possibilities of magnetism in one-dimensional In and T1 atomic wires with the full-potential linearized augmented plane wave method

金属学报(英文版), 2009, 22(2): 117-122. doi: 10.1016/S1006-7191(08)60078-2

^1, , ^2, , ^3, , ^4,

1.School of Physical Engineering and Material Physics Laboratory,Zheng Zhou University,Zhengzhou 450052,China

2.School of Physical Engineering and Material Physics Laboratory,Zheng Zhou University,Zhengzhou 450052,China

3.School of Physical Engineering and Material Physics Laboratory,Zheng Zhou University,Zhengzhou 450052,China

4.School of Physical Engineering and Material Physics Laboratory,Zheng Zhou University,Zhengzhou 450052,China

基金项目: 河南省自然科学基金(82300443203)

First principle study on the possibilities of magnetism in one-dimensional In and T1 atomic wires with the full-potential linearized augmented plane wave method

Zhili ZHU ^1, , Jinhua GU ^2, , Yu JIA ^3, , Xing HU ^4,

1.School of Physical Engineering and Material Physics Laboratory,Zheng Zhou University,Zhengzhou 450052,China

2.School of Physical Engineering and Material Physics Laboratory,Zheng Zhou University,Zhengzhou 450052,China

3.School of Physical Engineering and Material Physics Laboratory,Zheng Zhou University,Zhengzhou 450052,China

4.School of Physical Engineering and Material Physics Laboratory,Zheng Zhou University,Zhengzhou 450052,China

Keywords： Magnetism

Using ab initio total energy calculations with the full-potential linearized augmented plane wave method, the possibilities of magnetism in one-dimensional In and TI wires were explored and their properties as the function of geometric structures were studied. The results suggest that the linear In and T1 wires show magnetization at the equilibrium bond distance with magnetic moments of 0.71 and 0.67 μB/atom, respectively. Allowing ions to relax, the wires were deformed as zigzag structures, but no dimerization occurs. The zigzag wires also exhibit spontaneous magnetization, although the magnetic moments are lower than those of straight wires.

参考文献

[1]	F J Himpsel;J E Ortega;G J Mankey;R.F.Willis .[J].Advances in Physics,1998,47:511.
[2]	P Gambardella;M Blanc;L Bǖrgi;K.Kuhnke and K.Kern .[J].Surface Science,2000,93:449.
[3]	Y. Zhang;Hongjie Dai .Formation of metal nanowires on suspended single-walled carbon nanotubes[J].Applied physics letters,2000(19):3015-3017.
[4]	V Repain;J M Berroir;S Rousset;J Lecoeur .[J].Surface Science,2000,447:L152.
[5]	P Gambardella;M Blanc;H Brune;K Kuhnke and K Kern .[J].Physical Review B:Condensed Matter,2000,61:2254.
[6]	P Gambardella;A Dallmeyer;K Maiti;M.C.Malagoll W.Eberhardt K.Kern and C.Carbone .[J].Nature,2002,416:301.
[7]	A Ayuela;H Raebiger;M J Puska;R.M.Nieminen .[J].Physical Review B:Condensed Matter,2002,66:035417.
[8]	S Okada;A Oshiyama .[J].Physical Review B:Condensed Matter,2000,62:13286.
[9]	D Spisák;J Hafner .[J].Physical Review B:Condensed Matter,2003,67:214416.
[10]	P Blaha;K Schwarz;P Sorantin;S.B.Trickey .[J].Computer Physics Communications,1990,59:399.
[11]	J P Perdew;K Burke;M Ernzerhof .[J].Physical Review Letters,1996,77:3865.
[12]	C Kittle.Introduction to Solid State Physics[M].New York:wiley,1996:300.

上一张下一张

计量

下载量()
访问量()

作者相关

在本站搜索
在百度学术搜索
在万方数据库搜索
在CNKI搜索

文章评分

您的评分：
1

0%
2

0%
3

0%
4

0%
5

0%

材料期刊网

First principle study on the possibilities of magnetism in one-dimensional In and T1 atomic wires with the full-potential linearized augmented plane wave method

参考文献