Abstract
We discuss the effects of electronic correlation on the ground state energy, effective local moment and charge fluctuations for a model of transition metals. The model consists of a bcc or fcc-canonicald-band with intraatomic Coulomb and exchange interaction. We find that for realistic interaction parameters the correlated state shows enhanced spinfluctuations indicating the formation of local moments and strongly reduced charge fluctuations compared to the HF state. We also find that in generale g andt 2g -states can show a different extent of correlation which suggests the use of anisotropic exchange correlation potentials in transition metals. The application of our model to bcc iron and fcc nickel is also considered.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Disclaimer: 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.