Abstract
Based on the first-principles calculations, the electronic structure and magnetic properties of (Al,Mn) codoped BaZn2As2 have been investigated. We find that only Al atom doped BaZn2As2 is a nonmagnetic semiconductor with a band gap of 0.7 eV. Exploiting (Zn2+,Mn2+) substitutions to introduce magnetic moments, the Ba(Zn,Mn)2As2 system prefers the AFM ground state. For one Al atom and Mn codoped BaZn2As2, the long-range Mn-Mn pair configuration turns into FM state, while the nearest neighbour Mn-Mn pair configuration remains AFM state. However, because of more electron introduced by increasing the Al dopant, the nearest neighbour Mn-Mn pair configuration transfers from AFM to FM. Our investigation reveals that the FM coupling is mediated by the exchange interaction of Mn-3d orbitals and As-4p orbitals. The FM originates from a strong p-d exchange interaction occurred between carriers and localized spin for the (Ba,Al)(Zn,Mn)2As2.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
