Abstract
Electronic spectra and bulk properties of Mo-rich bcc Mo-Re random alloys have been studied in the framework of density-functional theory. We show that the Fermi surface topology changes with rhenium concentration, i.e., so-called electronic topological transitions take place. We have found two electronic topological transitions, the formation of an electronic void at about 2 at. % of Re and a formation of a neck at about 6 at. % of Re. The influence of these transitions on the thermodynamic (lattice parameter, bulk modulus, and Gr\"uneisen constant) and kinetic (thermoelectric power) properties is analyzed.
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.
