First-Principles Study on Electronic Structure and Magnetic Interactions in Ni-doped CdS

被引：2

作者：

Guo, Yanrui ^{[1
]}

Yan, Huiyu ^{[1
]}

Song, Qinggong ^{[1
]}

Kong, Wei ^{[1
]}

Yang, Fang ^{[1
]}

机构：

[1] Civil Aviat Univ China, Coll Sci, Tianjin 300300, Peoples R China

来源：

ACTA PHYSICA POLONICA A | 2021年 / 140卷 / 01期

基金：

中国国家自然科学基金;

关键词：

FERROMAGNETISM;

D O I：

10.12693/APhysPolA.140.3

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

By using the first-principles calculation method, the electronic structure and magnetic interactions of Ni-doped wurtzite CdS have been investigated. The results reveal that the ground state of the system is a spin polarized state. The magnetic moment of Ni-doped CdS is 2.0 mu(B) per cell, which mainly comes from Ni and its neighbor S atoms. Various configurations of Ni-doped CdS show half-metallic characters with a 100% spin polarization. Ni-doped wurtzite CdS presents a long-range ferromagnetic coupling. These results indicate that Ni-doped wurtzite CdS is a promising spin electronic material.

引用

页码：3 / 8

页数：6

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