The effect of dual substitution of Na and Al on ionic conductivity of Na0.5Bi0.5TiO3 ceramics

Electronic structure, thermomechanical and phonon properties of inverse perovskite oxide (Na3OCl): An ab initio study

“…13 Na 3 OBr has been experimentally designated as soft material with bulk modulus of 58. 6 GPa and theoretically a direct band gap superionic semi-conductor. 14,15 Another member of this family, Na 3 OCl crystallizes in a cubic structure with an experimental lattice constant of 4.50 Å and undergoes phase transition instantly.…”

“…Ideally, the perovskite compounds of ABO 3 kind crystallize in a cubic phase and follow the symmetry of space group Pm‐3 m, where A cations occupy the eight corners, B cation is at body center, and the oxygen anions are located at six face centers of a cube. This family consists of vast number of compounds and is still being studied continuously for the electronic, magneto‐electronic, and structural properties . Anti‐perovskite (APV) compounds differ from normal perovskites only in the occupation of their face centers by metal cations instead of oxygen atoms/anions in the latter case.…”

“…This family consists of vast number of compounds and is still being studied continuously for the electronic, magneto-electronic, and structural properties. 6,7 Anti-perovskite (APV) compounds differ from normal perovskites only in the occupation of their face centers by metal cations instead of oxygen atoms/anions in the latter case. Magnetic or nonmagnetic APVs display many fascinating physical properties and new ones are predicted constantly.…”