Ferromagnetic origin of Na and Mn codoped CaZn2As2 diluted magnetic semiconductor: A first-principles study


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Abstract

We have investigated the electronic structure and magnetic properties of Na and Mn codoped CaZn2As2 using density functional theory within the generalized gradient approximation (GGA)+U schemes. We have shown that the ground state magnetic structure of Mn-doped CaZn2As2 is antiferromagnetic while holemediated Zener’s pd exchange is responsible for the origin of ferromagnetism of Na and Mn codoped CaZn2As2.

About the authors

L. Hua

Nanjing Normal University Taizhou College

Author for correspondence.
Email: pjsd@163.com
China, Taizhou, 225300

J. N. Zhu

Nanjing Normal University Taizhou College

Email: pjsd@163.com
China, Taizhou, 225300

Z. T. Lu

Nanjing Normal University Taizhou College

Email: pjsd@163.com
China, Taizhou, 225300

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