Abstract:The structure, elastic properties, and thermodynamic properties of cubic boron arsenide (c‐BAs) under high temperature and high pressure are studied based on first‐principles calculations. The obtained equilibrium structure and mechanical properties are in good agreement with other theoretical results. First, the phonon dispersion spectra at zero pressure and high pressure are calculated. The results show that c‐BAs is dynamically stable under pressure of 0–110 GPa. Second, the lattice constants, elastic const… Show more
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.