Eur. Phys. J. B (2015) 88: 118
https://doi.org/10.1140/epjb/e2015-60009-6

Regular Article

Electronic and magnetic properties of diluted ferromagnetic semiconductor (La_1−xBa_x)(Zn_1−yMn_y)AsO from first-principles calculations

Nanjing Normal University Taizhou College, Taizhou 225300, P.R. China

^a e-mail: pjsd@163.com

Received: 5 January 2015
Received in final form: 23 March 2015
Published online: 11 May 2015

Abstract

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.