Abstract

The doping limit or the filling fraction limit (FFL) of various impurities for the intrinsic voids in the lattice of is studied by the density functional method. The FFL is shown to be determined not only by the interaction between the impurity and host atoms but also by the formation of secondary phases between the impurity atoms and one of the host atoms. The predicted FFLs for Ca, Sr, Ba, La, Ce, and Yb in are in excellent agreement with reported experimental data. A correlation between the FFL of an impurity atom and its valence state and electronegativity is discovered.

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 call

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.