Effect of 4d transition metals on the electronic and magnetic properties of twin graphene

被引：7

作者：

Gao, Yue ^{[1
]}

Wang, Sufang ^{[1
]}

Xie, You ^{[1
]}

Wang, Xiulin ^{[2
]}

Yang, Jiawei ^{[1
]}

Jiang, Ningning ^{[1
]}

Chen, Liyong ^{[1
]}

Zhang, Jianmin ^{[3
]}

机构：

[1] Xian Univ Sci & Technol, Coll Sci, Xian 710054, Peoples R China

[2] Xian Univ Sci & Technol, Coll Energy Engn, Xian 710054, Peoples R China

[3] Shaanxi Normal Univ, Coll Phys & Informat Technol, Xian 710119, Peoples R China

来源：

JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS | 2022年 / 564卷

基金：

中国国家自然科学基金;

关键词：

Electronic structure; First-principles calculation; Magnetic interaction; 4d transition metal atoms; Twin graphene; BLACK PHOSPHORENE; 1ST-PRINCIPLES;

D O I：

10.1016/j.jmmm.2022.170127

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

To explore new uses for twin graphene (TG) in spintronic devices, we tuned the electronic properties and introduced a magnetic moment for TG by doping it with 4d transition metal (TM = Y, Zr, Nb, Mo, Tc, Ru, Rh, Pd, Ag, and Cd) atoms. Some single TM doped TG systems have spin-polarized states, and their magnetic moments can be divided into three categories. TG doped with single Y, Mo, and Ag exhibits dilute magnetic semiconductor (DMS) properties, and the doping of Tc introduces a half-metallic character. For dual-doped systems, the elec-tronic properties of TG can be effectively regulated by the doping positions of various TM atoms. The alpha-2Mo/TG, alpha-2Tc/TG, beta-2Y/TG, and gamma-2Y/TG systems exhibit DMS behavior. Some dual-doped systems exhibit antiferro-magnetic (AFM) and ferromagnetic (FM) behaviors. For beta configurations, the electronic properties of TM atoms dual-doped on the same and different sides of TG are similar to those of the corresponding single-doped systems, except for the beta/D-2Zr/TG and beta/D-2Ag/TG systems. The dual-doping of Y and Rh atoms on the same and different sides of TG can realize the switch between AFM and FM. The results of this study might provide new inspiration for applying TG in spintronic and nanomagnet devices.

引用

页数：10

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