Abstract
We have investigated the electronic and magnetic properties of electron-doped Sr 2-x La x FeReO 6 (x = 0.0, 0.25, 0.5) using first-principles density functional theory within the generalized gradient approximation (GGA) and GGA + U schemes. Our results reveal that the symmetry of the La -doped compounds is decreased from tetragonal I4/m for perfect sample to monoclinic P21/n. With increasing La content the absolute magnetic moment of the Re site increases distinctly and the doped electrons are considered to occupy mainly the down-spin Re 5d band from the band calculation. Electronic doping is found to enhance the Curie temperature (T c ) and stabilize the ferromagnetic half-metallic ground states of Sr 2 FeReO 6. And it is found that the increase of T c is mainly caused by the increase of ferromagnetic interaction between the Fe – O – Fe .
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.
