Polytypism in calcium oxide compound: Mechanical and dynamical evidence of structural stability
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Alloys and Compounds"
DOI: 10.1016/j.jallcom.2019.152424
Abstract: Abstract Bulk calcium peroxide (CaO2) was synthesized in 1941, where experiments assigned a tetragonal ‘calcium carbide’ phase. However our first-principles calculations of thermodynamic and dynamical properties evidence that the tetragonal calcium carbide phase of CaO… read more here.
Keywords: calcium oxide; mechanical dynamical; tetragonal calcium; evidence ... See more keywords