Lattice instability and Raman spectra of BaO under high pressure: A first principles study
K. Lavanya,
N. Yedukondalu,
S. C. Rakesh Roshan
et al.
Abstract:Alkaline-earth metal oxides, in particular MgO and CaO dominate Earth's lower mantle, therefore, exploring high pressure behavior of this class of compounds is of significant geophysical research interest. Among all these compounds, BaO exhibits rich polymorphism in the pressure range of 0-1.5 Mbar. Static enthalpy calculations revealed that BaO undergoes a pressure induced structural phase transition from NaCltype (B1) → NiAs-type (B8) → distorted CsCl-type (d-B2) → CsCl-type (B2) at 5.1, 19.5, 120 GPa respec… Show more
Set email alert for when this publication receives citations?
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.