Symmetry-Adapted Finite Strain Landau Theory Applied to KMnF3
1
Faculty of Physics, University of Vienna, Boltzmanngasse 5, A-1090 Vienna, Austria
2
Institute of Materials Chemistry, Vienna University of Technology, Getreidemarkt 9, A-1060 Wien, Austria
*
Author to whom correspondence should be addressed.
Crystals 2020, 10(2), 124; https://doi.org/10.3390/cryst10020124
Received: 27 January 2020 / Revised: 10 February 2020 / Accepted: 11 February 2020 / Published: 17 February 2020
(This article belongs to the Special Issue Pressure-Induced Phase Transformations)
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 .
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MDPI and ACS Style
Tröster, A.; Schranz, W.; Ehsan, S.; Belbase, K.; Blaha, P. Symmetry-Adapted Finite Strain Landau Theory Applied to KMnF3. Crystals 2020, 10, 124. https://doi.org/10.3390/cryst10020124
AMA Style
Tröster A, Schranz W, Ehsan S, Belbase K, Blaha P. Symmetry-Adapted Finite Strain Landau Theory Applied to KMnF3. Crystals. 2020; 10(2):124. https://doi.org/10.3390/cryst10020124
Chicago/Turabian StyleTröster, Andreas; Schranz, Wilfried; Ehsan, Sohaib; Belbase, Kamal; Blaha, Peter. 2020. "Symmetry-Adapted Finite Strain Landau Theory Applied to KMnF3" Crystals 10, no. 2: 124. https://doi.org/10.3390/cryst10020124
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