Structure property relationships in the ATi2O4 (A=Na, Ca) family of reduced titanates

Reduced titanates in the ATi2O4 (A=Li, Mg) spinel family exhibit a variety of interesting electronic and magnetic properties, most notably superconductivity in the mixed-valence spinel, Li1+xTi2−xO4. The sodium and calcium analogs, NaTi2O4 and CaTi2O4, each differ in structure, the main features of which are double rutile-type chains composed of edge-sharing TiO6 octahedra. We report for the first time, the properties and band structures of …