Title

Anisotropic Thermal Properties in Orthorhombic Perovskites

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.

Department(s)

Physics

Keywords and Phrases

Atomistic simulations; Cubic perovskite; Elastic properties; Monoclinic systems; Orthorhombic perovskite; Parent phase; Structure and properties; Thermal properties; Tolerance factor; Oxide minerals; Perovskite; Thermal conductivity; Thermal expansion

International Standard Serial Number (ISSN)

0022-2461

Document Type

Article - Journal

Document Version

Citation

File Type

text

Language(s)

English

Rights

© 2010 Springer Netherlands, All rights reserved.


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