Octahedral distortion and electronic properties of the antiperovskite oxide Ba3SiO: First principles study
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Physics and Chemistry of Solids"
DOI: 10.1016/j.jpcs.2019.109126
Abstract: Abstract In this study, based on first principles calculations, we investigated the vibrational and electronic structure of the antiperovskite oxide Ba3SiO. The low temperature Pbnm structure was characterized in terms of the group-to-subgroup transition based… read more here.
Keywords: first principles; structure; antiperovskite oxide; ba3sio ... See more keywords