symmetry-adapted finite strain landau theory applied to kmnf3

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ID: 145457
2020
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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 .
Reference Key
trster2020crystalssymmetry-adapted Use this key to autocite in the manuscript while using SciMatic Manuscript Manager or Thesis Manager
Authors ;Andreas Tröster;Wilfried Schranz;Sohaib Ehsan;Kamal Belbase;Peter Blaha
Journal turk kardiyoloji dernegi arsivi
Year 2020
DOI
10.3390/cryst10020124
URL
https://www.mdpi.com/2073-4352/10/2/124
Keywords
high pressure phase transitions landau theory

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