Crystal structure and thermoelectric properties of Sr-Mo substituted CaMnO₃: a combined experimental and computational study.

ABSTRACT: A combination of experimental and computational techniques has been employed to study doping effects in perovskite CaMnO₃. High quality Sr-Mo co-substituted CaMnO₃ ceramics were prepared by the conventional mixed oxide route. Crystallographic data from X-ray and electron diffraction showed an orthorhombic to tetragonal symmetry change on increasing the Sr content, suggesting that Sr widens the transition temperature in CaMnO₃ preventing phase transformation-cracking on cooling after sintering, enabling the fabrication of high density ceramics. Atomically resolved imaging and analysis showed a random distribution of Sr in the A-site of the perovskite structure and revealed a boundary structure of 90° rotational twin boundaries across {101}_{orthorhombic</}

SUBMITTER: Srivastava D 

PROVIDER: S-EPMC5361175 | biostudies-literature | 2015 Dec

REPOSITORIES: biostudies-literature