Hydrogen-mediated structural and electronic stabilization of cubic perovskite SrLiH3 under extreme compression.
This work presents a comprehensive first-principles investigation of the structural, mechanical, dynamical, vibrational, electronic, and bonding properties of SrLiH3 under hydrostatic pressures up to 100 GPa. The relative stability of the cubic perovskite phase was evaluated against eight competing high-pressure candid...