journal article·2020-02-17Open access

Symmetry-Adapted Finite Strain Landau Theory Applied to KMnF3

Andreas Tröster, Wilfried Schranz, Sohaib Ehsan, Kamal Belbase, Peter Blaha

Crystals· Volume 10· Issue 2

Abstract

In recent years, finite strain Landau theory has been gradually developed as both a conceptual as well as a quantitative framework to study high pressure phase transitions of the group-subgroup type. In the current paper, we introduce a new version of this approach which is based on symmetry-adapted finite strains. This results in a substantial simplification of the original formulation. Moreover, it allows for replacing the clumsy use of truncated Taylor expansions by a convenient functional parametrization. Both the weaknesses of the traditional Landau approach based on infinitesimal strains as well as the major improvements made possible by our new parametrization are illustrated in great detail in an application to the ambient temperature high pressure transition of the perovskite KMnF 3 .
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Research context

OpenAlex topics: High-pressure geophysics and materials · Metal and Thin Film Mechanics · Silicone and Siloxane Chemistry

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

Faculty of Physics, University of Vienna, Boltzmanngasse 5, A-1090 Vienna, Austria

Institute of Materials Chemistry, Vienna University of Technology, Getreidemarkt 9, A-1060 Wien, Austria

Funding

Austrian Science Fund

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