Magnetism of Mg atomic chains on the NaCl(100) surface

被引：1

作者：

Li, Ai-Yu ^{[3
]}

Zheng, Yin ^{[1
,2
]}

Wu, Shun-Qing ^{[1
,2
]}

Wen, Yu-Hua ^{[1
,2
]}

Zhu, Zi-Zhong ^{[1
,2
,4
]}

机构：

[1] Xiamen Univ, Dept Phys, Xiamen 361005, Peoples R China

[2] Xiamen Univ, Inst Theoret Phys & Astrophys, Xiamen 361005, Peoples R China

[3] Xiamen Univ Technol, Dept Math & Phys, Xiamen 361024, Peoples R China

[4] Xiamen Univ, Fujian Prov Key Lab Theoret & Computat Chem, Xiamen 361005, Peoples R China

来源：

SOLID STATE COMMUNICATIONS | 2011年 / 151卷 / 24期

关键词：

Magnesium chains; NaCl(100); Magnetism; First-principles calculations; TOTAL-ENERGY CALCULATIONS; ELECTRONIC-STRUCTURES; ROOM-TEMPERATURE; FERROMAGNETISM;

D O I：

10.1016/j.ssc.2011.09.024

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

Based on the first-principles calculations within the density-functional theory, we have investigated the magnetism of 1D Mg nanowires, both unsupported and supported by the NaCl(100) surface. It is shown that Mg can exhibit magnetism in both the geometry of linear and zigzag chains. The freestanding Mg linear chain shows magnetization when the bonds are compressed. For an Mg zigzag chain, however, ferromagnetism is predicted at the equilibrium bond length. It is found that the magnetism of Mg chains can be maintained when deposited on the NaCl(100) surface. We have also analyzed the results by using the Stoner theory and the calculated electronic band structures. (C) 2011 Elsevier Ltd. All rights reserved.

引用

页码：1912 / 1915

页数：4

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