DOI: 10.1039/d3cp01511d ISSN:
Tuning the magnetic ordering driven by cationic antisite defects in the Li(ZnMn)As system
ManFu Wang, WeiJia Tang, JinGang Zhang, SiFan Wang, JingSheng Xu, HaoXu Wang, GuiBing Pang, ZhiHua Zhang, Zhong Lan- Physical and Theoretical Chemistry
- General Physics and Astronomy
The electronic structure and magnetic properties of Li(ZnMn)As with antisite defects have been investigated by using first-principles calculations within the Perdew–Burke–Ernzerhof generalized gradient approximation.