Ab-initio investigation of crystal structure and pressure induced phase transition in ThO2 and PuO2
Sign Up to like & getrecommendations! Published in 2021 at "Materials today communications"
DOI: 10.1016/j.mtcomm.2021.102579
Abstract: Abstract We have investigated the crystal structure, phase transition and electronic properties of ThO2 and PuO2 using density functional theory (DFT). The lattice parameters of cubic ThO2 and PuO2 are found to be 5.62 A and… read more here.
Keywords: structure; puo2; tho2 puo2; band gap ... See more keywords