收录:
摘要:
The magnetic and optical properties of Fe-doped pentra-ZnO2 monolayer with different concentrations were studied by first-principles calculations. The results show that the absorption edge of the base material is red shifted obviously and the absorption intensity in the range of visible light is greatly improved by Fe doping. When two Fe atoms substitute two Zn dopants, they tend to form a cluster and ferromagnetic order becomes energetically more favorable. Heisenberg mean field model calculations show that the Curie temperature of the ferromagnetic phase is much higher than room temperature, indicating Fe-doped pentra-ZnO2 is an excellent room temperature dilute magnetic semiconductor.
关键词:
通讯作者信息:
电子邮件地址:
来源 :
CHEMICAL PHYSICS LETTERS
ISSN: 0009-2614
年份: 2020
卷: 754
2 . 8 0 0
JCR@2022
ESI学科: CHEMISTRY;
ESI高被引阀值:139