A full interionic potential for Na (sub) 1+x Zr (sub)2 Si (sub)x P (sub)3-x O (sub)12 superionic conductors

Research has been conducted on inorganic solids with high ionic conductivity. The full interionic pair potential for Na (sub) 1+x Zr (sub)2 Si (sub)x P (sub)3-x O (sub)12 which consists of interactions between all ion pairs has been investigated via the use of Monte Carlo and molecular dynamics simulations and the details are reported.