Advertisement
Published in:
01-01-2010
Anisotropic thermal properties in orthorhombic perovskites
Published in: Journal of Materials Science | Issue 1/2010
Log inActivate our intelligent search to find suitable subject content or patents.
Select sections of text to find matching patents with Artificial Intelligence. powered by
Select sections of text to find additional relevant content using AI-assisted search. powered by
Abstract
The structure, elastic properties, thermal expansion, and thermal conductivity of the orthorhombic-structured A3+B3+O3 perovskites are determined using atomistic simulations with classical potentials. When considered as pseudo-cubic monoclinic systems, they show relatively small deviations in structure and properties from their cubic perovskite parent phase. The variations in properties are shown to be related to the magnitude of the tilting of the BO6 octahedra, which in turn is related to the relative sizes of the A and B ions, as encapsulated in the tolerance factor.