Long-ranged and high temperature ferromagnetism in (Mn,C)-codoped ZnO studied by first-principles calculations

被引：23

作者：

Lin, Xue-ling

Yan, Shi-shen ^{[1
]}

Zhao, Ming-wen

Hu, Shu-jun

Yao, Xin-xin

Han, Chong

Chen, Yan-xue

Liu, Guo-lei

Dai, You-yong

Mei, Liang-mo

机构：

[1] Shandong Univ, Sch Phys, Jinan 250100, Shandong, Peoples R China

来源：

JOURNAL OF APPLIED PHYSICS | 2010年 / 107卷 / 03期

关键词：

carbon; Curie temperature; density functional theory; doping profiles; electronic structure; exchange interactions (electron); ferromagnetic materials; high-temperature effects; II-VI semiconductors; long-range order; magnetic moments; manganese; semiconductor doping; semimagnetic semiconductors; wide band gap semiconductors; zinc compounds;

D O I：

10.1063/1.3289721

中图分类号：

O59 [应用物理学];

学科分类号：

070305 [高分子化学与物理];

摘要：

We theoretically investigated the electronic structures and magnetic properties of (Mn,C)-codoped ZnO system based on the first-principles calculations within a GGA+U-p,U-d approach. We found that codoping C is a promising approach to enhance the ferromagnetic coupling between the nearest-neighboring Mn ions due to the strong hybridization between the C:2p and the Mn:3d states. Moreover, the spin-polarized states induced by C are so extended that they can mediate long-ranged ferromagnetic exchange interactions beyond the nearest-neighboring case. Therefore, (Mn,C)-codoped ZnO is expected to be a ferromagnetic semiconductor with long-ranged ferromagnetism and high Curie temperature.

引用

页数：4

共 25 条

[1]

Change in the room temperature magnetic property of ZnO upon Mn doping [J].