Compression and phase diagram of lithium hydrides at elevated pressures and temperatures by first-principles calculations

Yang M. Chen, Xiang R. Chen, Qiang Wu +4

High pressure and high temperature properties of AB (A = ${}^6$Li, ${}^7$Li; B = H, D, T) are investigated with first-principles method comprehensively. It is found that the H${}^{-}$ su…