Abstract
The spin-resolved electronic structure of crystals Si<B, Fe>, Si<B, Co> and Si<B, Ni> was evaluated with the hybrid functional PBE0. All the calculations have been done for supercells Si30B1Fe1, Si30B1Co1, and Si30B1Ni1, modelling the substitutional alloys based on silicon crystal. We found that in the SiBFe material the Fermi level crosses the dispersion curves in the valence band for both spins. This material is a p-type semiconductor for spin down and a classic semiconductor for opposing spin. The materials Si30B1Co1 and Si30B1Ni1 behave for both spins as a classical semiconductor and n-type semiconductor, without and with the strong correlations, respectively.
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.
