Temperature Dependence of Expansivity and Elastic Constants of Li(H, D) and Na(H, D) Crystals

LDA or GGA? A combined experimental inelastic neutron scattering and ab initio lattice dynamics study of alkali metal hydrides

“…The calculations were carried out in the static approximation, and so neglected zero-point contributions. Islam et al [18] used their potential to calculate elastic constants for lithium and sodium hydrides and deuterides and their pressure and temperature dependence [19]. Experimental and theoretical work on Li, Na and K hydrides has been reviewed [20].…”