Abstract
We have investigated, using ab initio total energy density-functional calculations, the electronic, structural, and magnetic properties of Mn doped InP nanowires. The nanowires have been constructed along the [111] direction and the dangling bonds on the surface have been saturated by hydrogen atoms. We found that the most energetically favorable position for the Mn atom is near the surface. When the Mn atoms are in ``bulklike'' positions, the magnetic Mn-Mn coupling in the nanowire is ferromagnetic. In these cases, our results are consistent with a host-$p\text{\ensuremath{-}}\mathrm{Mn}\text{\ensuremath{-}}d$ coupling mechanism. On the other hand, if at least one of the Mn atoms is located near the surface, the coupling is antiferromagnetic.
Sign-in/Register to access full text options 
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.
