Abstract
We report a set of potentials for the three stannates ASnO3 (A = Ca, Sr or Ba) and SnO2. The results for the lattice structure, defect energies, electronic disorder and redox behaviour of these systems are presented.
We report a set of potentials for the three stannates ASnO3 (A = Ca, Sr or Ba) and SnO2. The results for the lattice structure, defect energies, electronic disorder and redox behaviour of these systems are presented.
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