Electronic and magnetic properties of diluted ferromagnetic semiconductor (La1−xBax)(Zn1−yMny)AsO from first-principles calculations
Nanjing Normal University Taizhou College,
Received in final form: 23 March 2015
Published online: 11 May 2015
We have investigated the electronic structure and magnetic properties of Ba and Mn co-doped LaZnAsO using density functional theory within the generalised gradient approximation (GGA)+U schemes. We have shown that the ground state magnetic structure of Mn-doped LaZnAsO is antiferromagnetic while Ba and Mn co-doped LaZnAsO is ferromagnetic. The origin of the Mn-Mn exchange mechanism is discussed.
Key words: Solid State and Materials
© EDP Sciences, Società Italiana di Fisica, Springer-Verlag, 2015