High temperature and pressure effects on the elastic properties of B2 intermetallics AgRE

Abstract

AbstractThe high temperature and pressure effects on the elastic properties of the AgRE (RE=Sc, Tm, Er, Dy, Tb) intermetallic compounds with B2 structure have been performed from first principle calculations. For the temperature range 0-1000 K, the second order elastic constants for all the AgRE intermetallic compounds follow a normal behavior: they decrease with increasing temperature. The pressure dependence of the second order elastic constants has been investigated on the basis of the third order elastic constants. Temperature and pressure dependent elastic anisotropic parameters A have been calculated based on the temperature and pressure dependent elastic constants.