High pressure phonon and thermodynamic properties of Ru based intermetallics: A DFT investigation
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DOI: 10.1016/j.jpcs.2018.06.036
Abstract: Abstract First-principles calculations have been carried out to investigate the structural, electronic, phonon and thermodynamic properties of RuX (X = Sc and Ti) intermetallic compounds within the framework of density functional theory. The ground state properties such… read more here.
Keywords: thermodynamic properties; phonon thermodynamic; investigation; high pressure ... See more keywords