Electronic structure, magnetic ordering, and formation pathway of the transition metal oxide hydride LaSrCoO₃H_0.7

The role of the hydride anion in controlling the electronic properties of the transition metal oxide hydride LaSrCoO₃H_0.7 is investigated theoretically by full potential DFT band structure calculation and experimentally by determination of the Néel temperature for three-dimensional magnetic ordering. The mechanism by which hydrogen is introduced into the solid is addressed by in situ X-ray diffraction studies of the formation of the oxide hydride, which reveal both a relationship between the microscopic growth of the observed oxide hydride order and the anisotropic broadening of the diffraction profile, and the existence of a range of intermediate compositions.