Abstract
First-principles investigation has been carried out in order to analyze structural, electronic, and magnetic properties of RESn3 compounds, thereby exploiting specific properties for better understanding of their magnetic structure. The generalized gradient approximation + U formalism has been used to account for the strong on-site Coulomb repulsion among the localized RE 4 f electrons. By varying the Hubbard U parameter from 0 to 8 eV, a detailed study of magnetism of these compounds via the density of states DOS and charge densities, is presented.
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.
