Abstract
Magnetic properties of molybdenum doped methylammonium lead halides (MAPbX3, X = Cl, Br, I) system has been studied using density functional theory for the very first time. Spin-polarized magnetic calculations indicate that the doping of Mo-atoms at Pb-site generates a significant magnetic moment in all the three MAPbX3 systems, where the d-orbital electrons of the dopant primarily generate the induced magnetism in the system. The Spin density distribution and Bader charge analysis also support that the magnetic moment is concentrated around the dopant. The unpaired spins of the Mo-dopants prefer parallel alignment, which makes a stable ferromagnetic spin ordered system. The defect formation energy of the Mo-doping at Pb-site is also small, which makes it a potential candidate for spintronics application.
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.
