Abstract
We investigated the structural and electronic properties of cubic PbSxSe1−x alloys, with S-concentrations varying from 0% up to 100%. The calculations are based on the total-energy calculations within the hybrid full-potential augmented plane-wave plus local orbitals (APW + lo) method. We have used the local density as well as the generalized gradient approximatios for the exchange and correlation potential. The ground state properties, equilibrium lattice constants, bulk moduli, charge densities and band structures for all S-concentrations are presented. The densities of electron states are also determined for both the binary and their related ternary alloys. A model structure of 32-atoms supercell is used.
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.
