The GIPAW approach for the study of local structures and the electric field gradients at Cd and Ta impurity sites. Application to doped yttria ceramics
Sign Up to like & getrecommendations! Published in 2020 at "Computational Materials Science"
DOI: 10.1016/j.commatsci.2019.109224
Abstract: Abstract We report a first-principles study on the structural properties, the electronic structure and the hyperfine properties of the pure, Cd-, and Ta-doped yttria (Y2O3) using the Gauge-Including Projector Augmented Waves (GIPAW) method. The purpose… read more here.
Keywords: impurity sites; gipaw method; doped yttria; impurity ... See more keywords