Magnetic Properties in Nonmagnetic Metal Atom Adsorption on SiC Monolayer: First-Principles Study

被引：10

作者：

Luo, M. ^{[1
]}

Yin, H. H. ^{[2
]}

Shen, Y. H. ^{[3
]}

机构：

[1] Shanghai Second Polytech Univ, Dept Phys, Shanghai 201209, Peoples R China

[2] Fudan Univ, Dept Elect Engn, Shanghai 200433, Peoples R China

[3] East China Normal Univ, Key Lab Polar Mat & Devices, Shanghai 200241, Peoples R China

来源：

JOURNAL OF SUPERCONDUCTIVITY AND NOVEL MAGNETISM | 2018年 / 31卷 / 04期

关键词：

SiC; Nonmagnetic metals; Adsorption; Electronic structure; DFT calculations; PHOSPHORENE;

D O I：

10.1007/s10948-017-4310-3

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

The structural, electronic, and magnetic properties of adsorbed SiC monolayer with a series of nonmagnetic metal atoms, including Al, Ga, Li, Mg, and Na, are systematically investigated using first-principles calculations. Magnetic behavior shows in the Al-, Ga-, Li-, and Na-adsorbed systems, and both nonmagnetic metals and their neighboring Si/C atoms contribute to the magnetism. Meanwhile, due the most stable structure of Al-adsorbed SiC monolayer, we investigated the magnetic interaction between two Al atoms. A long-range antiferromagnetic (AFM) is always observed as the Al-Al distance increases. Our results show that the two-Al-adsorbed 2D SiC exhibits an AFM order due to the p-p hybridization mechanism.

引用

页码：1235 / 1240

页数：6

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